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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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/RNA-17fe622c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-17fe622c/inputs/seq.fa: 1 curr_seq: _acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: acccggcagugccuccaggcgcagggcAGCCCCUGCCCACCGCACACUGcgcugccccagacccaCUGUGCGUGUGACAGCGGCUGAucugugccugggcagcgcgaccc 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 110 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: 555 n_atoms_counter: 555 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 110.000000 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: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 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: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -438.950451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.950451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.950451 (E_RNA) where: Base-Base interactions energy: -10.604 where: short stacking energy: -10.604 Base-Backbone interact. energy: -0.000 local terms energy: -428.346546 where: bonds (distance) C4'-P energy: -106.874 bonds (distance) P-C4' energy: -99.306 flat angles C4'-P-C4' energy: -80.765 flat angles P-C4'-P energy: -92.386 tors. eta vs tors. theta energy: -49.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -621.106806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.106806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.106806 (E_RNA) where: Base-Base interactions energy: -280.358 where: short stacking energy: -276.884 Base-Backbone interact. energy: -0.193 local terms energy: -340.555858 where: bonds (distance) C4'-P energy: -72.871 bonds (distance) P-C4' energy: -73.093 flat angles C4'-P-C4' energy: -72.767 flat angles P-C4'-P energy: -47.547 tors. eta vs tors. theta energy: -74.278 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -559.866563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.866563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.866563 (E_RNA) where: Base-Base interactions energy: -252.426 where: short stacking energy: -238.276 Base-Backbone interact. energy: -0.625 local terms energy: -306.815654 where: bonds (distance) C4'-P energy: -56.387 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -70.644 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -61.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -597.800048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.800048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.800048 (E_RNA) where: Base-Base interactions energy: -273.407 where: short stacking energy: -266.583 Base-Backbone interact. energy: -1.148 local terms energy: -323.245898 where: bonds (distance) C4'-P energy: -70.258 bonds (distance) P-C4' energy: -63.137 flat angles C4'-P-C4' energy: -71.385 flat angles P-C4'-P energy: -51.151 tors. eta vs tors. theta energy: -67.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -484.103937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.103937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.103937 (E_RNA) where: Base-Base interactions energy: -210.357 where: short stacking energy: -209.582 Base-Backbone interact. energy: -0.261 local terms energy: -273.485275 where: bonds (distance) C4'-P energy: -62.532 bonds (distance) P-C4' energy: -72.651 flat angles C4'-P-C4' energy: -58.838 flat angles P-C4'-P energy: -50.757 tors. eta vs tors. theta energy: -28.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -451.709672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.709672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.709672 (E_RNA) where: Base-Base interactions energy: -184.704 where: short stacking energy: -169.305 Base-Backbone interact. energy: -1.358 local terms energy: -265.647577 where: bonds (distance) C4'-P energy: -75.493 bonds (distance) P-C4' energy: -60.382 flat angles C4'-P-C4' energy: -66.836 flat angles P-C4'-P energy: -40.776 tors. eta vs tors. theta energy: -22.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -459.708155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.708155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.708155 (E_RNA) where: Base-Base interactions energy: -171.353 where: short stacking energy: -171.353 Base-Backbone interact. energy: -0.004 local terms energy: -288.351419 where: bonds (distance) C4'-P energy: -64.137 bonds (distance) P-C4' energy: -61.624 flat angles C4'-P-C4' energy: -70.269 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -45.039 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -445.408115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.408115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.408115 (E_RNA) where: Base-Base interactions energy: -38.185 where: short stacking energy: -38.185 Base-Backbone interact. energy: -0.000 local terms energy: -407.222620 where: bonds (distance) C4'-P energy: -95.926 bonds (distance) P-C4' energy: -89.147 flat angles C4'-P-C4' energy: -82.520 flat angles P-C4'-P energy: -89.722 tors. eta vs tors. theta energy: -49.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -451.791314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.791314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.791314 (E_RNA) where: Base-Base interactions energy: -43.829 where: short stacking energy: -43.829 Base-Backbone interact. energy: -0.000 local terms energy: -407.961903 where: bonds (distance) C4'-P energy: -97.648 bonds (distance) P-C4' energy: -88.858 flat angles C4'-P-C4' energy: -81.765 flat angles P-C4'-P energy: -89.822 tors. eta vs tors. theta energy: -49.869 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -446.486571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.486571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.486571 (E_RNA) where: Base-Base interactions energy: -64.887 where: short stacking energy: -64.887 Base-Backbone interact. energy: -0.000 local terms energy: -381.599552 where: bonds (distance) C4'-P energy: -82.102 bonds (distance) P-C4' energy: -83.379 flat angles C4'-P-C4' energy: -81.688 flat angles P-C4'-P energy: -83.290 tors. eta vs tors. theta energy: -51.141 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -453.167862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.167862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.167862 (E_RNA) where: Base-Base interactions energy: -70.629 where: short stacking energy: -70.629 Base-Backbone interact. energy: -0.000 local terms energy: -382.538544 where: bonds (distance) C4'-P energy: -87.615 bonds (distance) P-C4' energy: -79.198 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -82.417 tors. eta vs tors. theta energy: -52.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -687.761710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.761710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.761710 (E_RNA) where: Base-Base interactions energy: -377.676 where: short stacking energy: -268.417 Base-Backbone interact. energy: -1.922 local terms energy: -308.163724 where: bonds (distance) C4'-P energy: -56.130 bonds (distance) P-C4' energy: -78.028 flat angles C4'-P-C4' energy: -80.534 flat angles P-C4'-P energy: -36.672 tors. eta vs tors. theta energy: -56.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -617.695947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.695947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.695947 (E_RNA) where: Base-Base interactions energy: -293.442 where: short stacking energy: -259.859 Base-Backbone interact. energy: 2.926 local terms energy: -327.180009 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -67.226 flat angles C4'-P-C4' energy: -75.478 flat angles P-C4'-P energy: -41.342 tors. eta vs tors. theta energy: -73.547 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: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -557.851891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.851891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.851891 (E_RNA) where: Base-Base interactions energy: -276.514 where: short stacking energy: -202.478 Base-Backbone interact. energy: 0.376 local terms energy: -281.713751 where: bonds (distance) C4'-P energy: -63.928 bonds (distance) P-C4' energy: -67.554 flat angles C4'-P-C4' energy: -71.024 flat angles P-C4'-P energy: -35.659 tors. eta vs tors. theta energy: -43.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -589.411301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.411301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.411301 (E_RNA) where: Base-Base interactions energy: -333.169 where: short stacking energy: -238.757 Base-Backbone interact. energy: -1.561 local terms energy: -254.682062 where: bonds (distance) C4'-P energy: -50.212 bonds (distance) P-C4' energy: -59.560 flat angles C4'-P-C4' energy: -61.637 flat angles P-C4'-P energy: -33.876 tors. eta vs tors. theta energy: -49.397 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: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -507.345019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.345019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.345019 (E_RNA) where: Base-Base interactions energy: -252.908 where: short stacking energy: -171.103 Base-Backbone interact. energy: -1.206 local terms energy: -253.230181 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -58.916 flat angles C4'-P-C4' energy: -65.334 flat angles P-C4'-P energy: -29.918 tors. eta vs tors. theta energy: -34.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -443.052005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.052005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.052005 (E_RNA) where: Base-Base interactions energy: -202.747 where: short stacking energy: -173.451 Base-Backbone interact. energy: -1.658 local terms energy: -238.646675 where: bonds (distance) C4'-P energy: -68.618 bonds (distance) P-C4' energy: -56.320 flat angles C4'-P-C4' energy: -58.816 flat angles P-C4'-P energy: -26.948 tors. eta vs tors. theta energy: -27.945 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: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -374.938063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.938063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.938063 (E_RNA) where: Base-Base interactions energy: -153.454 where: short stacking energy: -132.824 Base-Backbone interact. energy: -0.364 local terms energy: -221.119576 where: bonds (distance) C4'-P energy: -53.184 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -50.570 flat angles P-C4'-P energy: -44.734 tors. eta vs tors. theta energy: -7.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -391.200369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.200369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.200369 (E_RNA) where: Base-Base interactions energy: -181.398 where: short stacking energy: -120.401 Base-Backbone interact. energy: -1.384 local terms energy: -208.418014 where: bonds (distance) C4'-P energy: -54.313 bonds (distance) P-C4' energy: -65.936 flat angles C4'-P-C4' energy: -48.817 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: 2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -321.405161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.405161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.405161 (E_RNA) where: Base-Base interactions energy: -147.322 where: short stacking energy: -133.615 Base-Backbone interact. energy: -0.609 local terms energy: -173.474271 where: bonds (distance) C4'-P energy: -59.636 bonds (distance) P-C4' energy: -50.893 flat angles C4'-P-C4' energy: -33.319 flat angles P-C4'-P energy: -26.787 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -298.782478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.782478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.782478 (E_RNA) where: Base-Base interactions energy: -128.545 where: short stacking energy: -111.759 Base-Backbone interact. energy: -0.081 local terms energy: -170.156701 where: bonds (distance) C4'-P energy: -54.584 bonds (distance) P-C4' energy: -50.996 flat angles C4'-P-C4' energy: -43.763 flat angles P-C4'-P energy: -31.581 tors. eta vs tors. theta energy: 10.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -738.504391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.504391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.504391 (E_RNA) where: Base-Base interactions energy: -409.708 where: short stacking energy: -262.110 Base-Backbone interact. energy: -1.011 local terms energy: -327.786069 where: bonds (distance) C4'-P energy: -70.957 bonds (distance) P-C4' energy: -81.015 flat angles C4'-P-C4' energy: -79.441 flat angles P-C4'-P energy: -42.320 tors. eta vs tors. theta energy: -54.053 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: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -700.187077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.187077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.187077 (E_RNA) where: Base-Base interactions energy: -369.703 where: short stacking energy: -259.131 Base-Backbone interact. energy: -0.068 local terms energy: -330.415633 where: bonds (distance) C4'-P energy: -68.514 bonds (distance) P-C4' energy: -78.352 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -50.268 tors. eta vs tors. theta energy: -57.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -662.447558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.447558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.447558 (E_RNA) where: Base-Base interactions energy: -367.384 where: short stacking energy: -236.763 Base-Backbone interact. energy: -1.168 local terms energy: -293.894906 where: bonds (distance) C4'-P energy: -61.983 bonds (distance) P-C4' energy: -70.172 flat angles C4'-P-C4' energy: -68.318 flat angles P-C4'-P energy: -45.672 tors. eta vs tors. theta energy: -47.750 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: 4 Temperature: 1.050000 Total energy: -642.871827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.871827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.871827 (E_RNA) where: Base-Base interactions energy: -366.435 where: short stacking energy: -217.917 Base-Backbone interact. energy: -0.846 local terms energy: -275.590474 where: bonds (distance) C4'-P energy: -58.381 bonds (distance) P-C4' energy: -67.211 flat angles C4'-P-C4' energy: -68.012 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -41.944 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: 4 Temperature: 1.100000 Total energy: -572.273249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.273249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.273249 (E_RNA) where: Base-Base interactions energy: -321.254 where: short stacking energy: -200.344 Base-Backbone interact. energy: -1.095 local terms energy: -249.924303 where: bonds (distance) C4'-P energy: -63.582 bonds (distance) P-C4' energy: -68.191 flat angles C4'-P-C4' energy: -51.200 flat angles P-C4'-P energy: -35.789 tors. eta vs tors. theta energy: -31.162 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: 6, replica: 5 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -484.611570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.611570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.611570 (E_RNA) where: Base-Base interactions energy: -240.984 where: short stacking energy: -174.745 Base-Backbone interact. energy: -0.489 local terms energy: -243.138949 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -66.271 flat angles C4'-P-C4' energy: -61.015 flat angles P-C4'-P energy: -31.554 tors. eta vs tors. theta energy: -29.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -581.568862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.568862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.568862 (E_RNA) where: Base-Base interactions energy: -338.869 where: short stacking energy: -182.499 Base-Backbone interact. energy: -1.645 local terms energy: -241.054720 where: bonds (distance) C4'-P energy: -52.887 bonds (distance) P-C4' energy: -70.726 flat angles C4'-P-C4' energy: -49.271 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -398.140932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.140932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.140932 (E_RNA) where: Base-Base interactions energy: -173.196 where: short stacking energy: -124.266 Base-Backbone interact. energy: -0.286 local terms energy: -224.658764 where: bonds (distance) C4'-P energy: -48.280 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -54.028 flat angles P-C4'-P energy: -42.493 tors. eta vs tors. theta energy: -11.799 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -415.108602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.108602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.108602 (E_RNA) where: Base-Base interactions energy: -190.508 where: short stacking energy: -116.652 Base-Backbone interact. energy: -2.130 local terms energy: -222.470670 where: bonds (distance) C4'-P energy: -54.949 bonds (distance) P-C4' energy: -61.193 flat angles C4'-P-C4' energy: -62.398 flat angles P-C4'-P energy: -33.137 tors. eta vs tors. theta energy: -10.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -339.794466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -339.794466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -339.794466 (E_RNA) where: Base-Base interactions energy: -129.976 where: short stacking energy: -103.048 Base-Backbone interact. energy: -0.747 local terms energy: -209.071024 where: bonds (distance) C4'-P energy: -55.442 bonds (distance) P-C4' energy: -65.807 flat angles C4'-P-C4' energy: -49.883 flat angles P-C4'-P energy: -33.722 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -815.003879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.003879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.003879 (E_RNA) where: Base-Base interactions energy: -506.809 where: short stacking energy: -304.859 Base-Backbone interact. energy: -0.614 local terms energy: -307.581240 where: bonds (distance) C4'-P energy: -55.324 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: -66.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -725.398242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.398242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.398242 (E_RNA) where: Base-Base interactions energy: -388.369 where: short stacking energy: -258.417 Base-Backbone interact. energy: -1.416 local terms energy: -335.613640 where: bonds (distance) C4'-P energy: -68.493 bonds (distance) P-C4' energy: -73.594 flat angles C4'-P-C4' energy: -71.345 flat angles P-C4'-P energy: -53.744 tors. eta vs tors. theta energy: -68.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -693.720195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.720195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.720195 (E_RNA) where: Base-Base interactions energy: -399.503 where: short stacking energy: -246.429 Base-Backbone interact. energy: -0.288 local terms energy: -293.929276 where: bonds (distance) C4'-P energy: -60.933 bonds (distance) P-C4' energy: -74.707 flat angles C4'-P-C4' energy: -64.892 flat angles P-C4'-P energy: -36.154 tors. eta vs tors. theta energy: -57.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -729.810016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.810016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.810016 (E_RNA) where: Base-Base interactions energy: -441.164 where: short stacking energy: -241.584 Base-Backbone interact. energy: -1.268 local terms energy: -287.378229 where: bonds (distance) C4'-P energy: -56.079 bonds (distance) P-C4' energy: -66.043 flat angles C4'-P-C4' energy: -67.282 flat angles P-C4'-P energy: -39.203 tors. eta vs tors. theta energy: -58.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -632.546924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.546924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.546924 (E_RNA) where: Base-Base interactions energy: -365.640 where: short stacking energy: -206.792 Base-Backbone interact. energy: -1.939 local terms energy: -264.968103 where: bonds (distance) C4'-P energy: -63.611 bonds (distance) P-C4' energy: -59.928 flat angles C4'-P-C4' energy: -61.689 flat angles P-C4'-P energy: -52.640 tors. eta vs tors. theta energy: -27.101 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -641.970656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.970656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.970656 (E_RNA) where: Base-Base interactions energy: -377.846 where: short stacking energy: -201.911 Base-Backbone interact. energy: -2.140 local terms energy: -261.983967 where: bonds (distance) C4'-P energy: -57.910 bonds (distance) P-C4' energy: -74.464 flat angles C4'-P-C4' energy: -58.641 flat angles P-C4'-P energy: -39.888 tors. eta vs tors. theta energy: -31.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -484.046644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.046644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.046644 (E_RNA) where: Base-Base interactions energy: -272.297 where: short stacking energy: -162.800 Base-Backbone interact. energy: 2.233 local terms energy: -213.982414 where: bonds (distance) C4'-P energy: -49.129 bonds (distance) P-C4' energy: -58.767 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -34.995 tors. eta vs tors. theta energy: -16.780 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: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -499.248074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.248074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.248074 (E_RNA) where: Base-Base interactions energy: -265.054 where: short stacking energy: -152.433 Base-Backbone interact. energy: -1.787 local terms energy: -232.407683 where: bonds (distance) C4'-P energy: -57.695 bonds (distance) P-C4' energy: -70.082 flat angles C4'-P-C4' energy: -56.166 flat angles P-C4'-P energy: -32.506 tors. eta vs tors. theta energy: -15.959 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: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -376.499418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.499418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.499418 (E_RNA) where: Base-Base interactions energy: -151.874 where: short stacking energy: -109.942 Base-Backbone interact. energy: -0.298 local terms energy: -224.326922 where: bonds (distance) C4'-P energy: -55.270 bonds (distance) P-C4' energy: -57.242 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -32.750 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -336.767842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.767842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.767842 (E_RNA) where: Base-Base interactions energy: -155.621 where: short stacking energy: -82.976 Base-Backbone interact. energy: 2.664 local terms energy: -183.811246 where: bonds (distance) C4'-P energy: -52.934 bonds (distance) P-C4' energy: -50.097 flat angles C4'-P-C4' energy: -45.011 flat angles P-C4'-P energy: -42.095 tors. eta vs tors. theta energy: 6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -897.620573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.620573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.620573 (E_RNA) where: Base-Base interactions energy: -574.694 where: short stacking energy: -280.471 Base-Backbone interact. energy: -1.296 local terms energy: -321.630867 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -69.776 flat angles C4'-P-C4' energy: -69.308 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -68.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -707.444203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.444203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.444203 (E_RNA) where: Base-Base interactions energy: -401.661 where: short stacking energy: -241.997 Base-Backbone interact. energy: -2.143 local terms energy: -303.640703 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -68.857 flat angles C4'-P-C4' energy: -75.800 flat angles P-C4'-P energy: -46.521 tors. eta vs tors. theta energy: -50.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -813.483706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.483706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.483706 (E_RNA) where: Base-Base interactions energy: -508.751 where: short stacking energy: -246.987 Base-Backbone interact. energy: -0.746 local terms energy: -303.987501 where: bonds (distance) C4'-P energy: -66.177 bonds (distance) P-C4' energy: -67.857 flat angles C4'-P-C4' energy: -76.351 flat angles P-C4'-P energy: -36.656 tors. eta vs tors. theta energy: -56.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -731.068560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.068560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.068560 (E_RNA) where: Base-Base interactions energy: -453.994 where: short stacking energy: -234.814 Base-Backbone interact. energy: -0.843 local terms energy: -276.231803 where: bonds (distance) C4'-P energy: -65.187 bonds (distance) P-C4' energy: -68.572 flat angles C4'-P-C4' energy: -63.974 flat angles P-C4'-P energy: -39.751 tors. eta vs tors. theta energy: -38.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -673.684338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.684338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.684338 (E_RNA) where: Base-Base interactions energy: -402.370 where: short stacking energy: -211.919 Base-Backbone interact. energy: -0.539 local terms energy: -270.775207 where: bonds (distance) C4'-P energy: -49.322 bonds (distance) P-C4' energy: -72.089 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -35.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -686.338936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.338936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.338936 (E_RNA) where: Base-Base interactions energy: -429.758 where: short stacking energy: -190.893 Base-Backbone interact. energy: 4.088 local terms energy: -260.669357 where: bonds (distance) C4'-P energy: -68.336 bonds (distance) P-C4' energy: -51.863 flat angles C4'-P-C4' energy: -61.433 flat angles P-C4'-P energy: -50.765 tors. eta vs tors. theta energy: -28.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -506.388537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.388537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.388537 (E_RNA) where: Base-Base interactions energy: -279.187 where: short stacking energy: -142.228 Base-Backbone interact. energy: -0.526 local terms energy: -226.675207 where: bonds (distance) C4'-P energy: -64.527 bonds (distance) P-C4' energy: -67.774 flat angles C4'-P-C4' energy: -52.993 flat angles P-C4'-P energy: -25.545 tors. eta vs tors. theta energy: -15.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -483.923591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.923591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.923591 (E_RNA) where: Base-Base interactions energy: -273.189 where: short stacking energy: -147.714 Base-Backbone interact. energy: -0.161 local terms energy: -210.573304 where: bonds (distance) C4'-P energy: -56.589 bonds (distance) P-C4' energy: -58.780 flat angles C4'-P-C4' energy: -59.322 flat angles P-C4'-P energy: -32.773 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -337.721001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.721001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.721001 (E_RNA) where: Base-Base interactions energy: -127.197 where: short stacking energy: -113.509 Base-Backbone interact. energy: 0.096 local terms energy: -210.620106 where: bonds (distance) C4'-P energy: -42.067 bonds (distance) P-C4' energy: -65.314 flat angles C4'-P-C4' energy: -60.862 flat angles P-C4'-P energy: -35.204 tors. eta vs tors. theta energy: -7.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -297.448287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -297.448287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -297.448287 (E_RNA) where: Base-Base interactions energy: -134.707 where: short stacking energy: -93.557 Base-Backbone interact. energy: 1.687 local terms energy: -164.427859 where: bonds (distance) C4'-P energy: -46.292 bonds (distance) P-C4' energy: -64.235 flat angles C4'-P-C4' energy: -47.870 flat angles P-C4'-P energy: -23.982 tors. eta vs tors. theta energy: 17.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -935.847793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.847793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.847793 (E_RNA) where: Base-Base interactions energy: -614.783 where: short stacking energy: -308.543 Base-Backbone interact. energy: -1.417 local terms energy: -319.648010 where: bonds (distance) C4'-P energy: -58.085 bonds (distance) P-C4' energy: -79.105 flat angles C4'-P-C4' energy: -70.760 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -70.078 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: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -859.436963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.436963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.436963 (E_RNA) where: Base-Base interactions energy: -559.009 where: short stacking energy: -256.855 Base-Backbone interact. energy: -0.759 local terms energy: -299.669354 where: bonds (distance) C4'-P energy: -64.506 bonds (distance) P-C4' energy: -68.628 flat angles C4'-P-C4' energy: -67.229 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: -54.898 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: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -726.163247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.163247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.163247 (E_RNA) where: Base-Base interactions energy: -425.733 where: short stacking energy: -257.938 Base-Backbone interact. energy: -0.105 local terms energy: -300.325604 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -64.274 flat angles C4'-P-C4' energy: -64.287 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -67.727 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: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -771.206612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.206612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.206612 (E_RNA) where: Base-Base interactions energy: -476.705 where: short stacking energy: -240.020 Base-Backbone interact. energy: -1.504 local terms energy: -292.996813 where: bonds (distance) C4'-P energy: -65.094 bonds (distance) P-C4' energy: -58.850 flat angles C4'-P-C4' energy: -71.896 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: -57.152 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: 7 Temperature: 1.100000 Total energy: -705.317520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.317520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.317520 (E_RNA) where: Base-Base interactions energy: -424.934 where: short stacking energy: -219.254 Base-Backbone interact. energy: -0.516 local terms energy: -279.867477 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -63.546 flat angles C4'-P-C4' energy: -64.048 flat angles P-C4'-P energy: -44.506 tors. eta vs tors. theta energy: -42.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -748.921287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.921287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.921287 (E_RNA) where: Base-Base interactions energy: -457.985 where: short stacking energy: -232.979 Base-Backbone interact. energy: -1.816 local terms energy: -289.120629 where: bonds (distance) C4'-P energy: -58.145 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -42.647 tors. eta vs tors. theta energy: -52.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -610.815119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.815119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.815119 (E_RNA) where: Base-Base interactions energy: -357.963 where: short stacking energy: -178.983 Base-Backbone interact. energy: 0.199 local terms energy: -253.051038 where: bonds (distance) C4'-P energy: -67.223 bonds (distance) P-C4' energy: -58.131 flat angles C4'-P-C4' energy: -59.715 flat angles P-C4'-P energy: -38.997 tors. eta vs tors. theta energy: -28.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -507.956598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.956598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.956598 (E_RNA) where: Base-Base interactions energy: -293.096 where: short stacking energy: -135.173 Base-Backbone interact. energy: 2.402 local terms energy: -217.262298 where: bonds (distance) C4'-P energy: -51.865 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -46.211 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -422.795725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.795725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.795725 (E_RNA) where: Base-Base interactions energy: -208.460 where: short stacking energy: -137.690 Base-Backbone interact. energy: 1.143 local terms energy: -215.478473 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -55.989 flat angles P-C4'-P energy: -40.193 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -313.327328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.327328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.327328 (E_RNA) where: Base-Base interactions energy: -131.556 where: short stacking energy: -103.962 Base-Backbone interact. energy: -1.799 local terms energy: -179.972345 where: bonds (distance) C4'-P energy: -61.231 bonds (distance) P-C4' energy: -58.874 flat angles C4'-P-C4' energy: -36.774 flat angles P-C4'-P energy: -19.129 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -921.875297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.875297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.875297 (E_RNA) where: Base-Base interactions energy: -575.836 where: short stacking energy: -304.485 Base-Backbone interact. energy: 0.264 local terms energy: -346.302945 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -72.847 flat angles C4'-P-C4' energy: -79.123 flat angles P-C4'-P energy: -41.719 tors. eta vs tors. theta energy: -71.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -887.659418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.659418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.659418 (E_RNA) where: Base-Base interactions energy: -557.266 where: short stacking energy: -291.613 Base-Backbone interact. energy: -1.105 local terms energy: -329.289020 where: bonds (distance) C4'-P energy: -60.537 bonds (distance) P-C4' energy: -66.549 flat angles C4'-P-C4' energy: -82.007 flat angles P-C4'-P energy: -44.888 tors. eta vs tors. theta energy: -75.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -789.438652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.438652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.438652 (E_RNA) where: Base-Base interactions energy: -484.061 where: short stacking energy: -232.822 Base-Backbone interact. energy: 0.045 local terms energy: -305.422374 where: bonds (distance) C4'-P energy: -68.606 bonds (distance) P-C4' energy: -66.552 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -49.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -731.041824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.041824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.041824 (E_RNA) where: Base-Base interactions energy: -437.456 where: short stacking energy: -257.650 Base-Backbone interact. energy: -0.302 local terms energy: -293.283213 where: bonds (distance) C4'-P energy: -63.298 bonds (distance) P-C4' energy: -59.775 flat angles C4'-P-C4' energy: -60.418 flat angles P-C4'-P energy: -41.979 tors. eta vs tors. theta energy: -67.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -874.736350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.736350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.736350 (E_RNA) where: Base-Base interactions energy: -578.035 where: short stacking energy: -259.785 Base-Backbone interact. energy: -2.213 local terms energy: -294.488043 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -65.093 flat angles P-C4'-P energy: -45.469 tors. eta vs tors. theta energy: -58.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -654.828341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.828341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.828341 (E_RNA) where: Base-Base interactions energy: -412.202 where: short stacking energy: -210.071 Base-Backbone interact. energy: -1.654 local terms energy: -240.972730 where: bonds (distance) C4'-P energy: -56.072 bonds (distance) P-C4' energy: -63.842 flat angles C4'-P-C4' energy: -57.287 flat angles P-C4'-P energy: -40.503 tors. eta vs tors. theta energy: -23.268 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: 5 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -759.639158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.639158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.639158 (E_RNA) where: Base-Base interactions energy: -488.278 where: short stacking energy: -221.033 Base-Backbone interact. energy: -2.731 local terms energy: -268.630396 where: bonds (distance) C4'-P energy: -63.671 bonds (distance) P-C4' energy: -68.448 flat angles C4'-P-C4' energy: -52.542 flat angles P-C4'-P energy: -30.448 tors. eta vs tors. theta energy: -53.521 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: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -541.924329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.924329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.924329 (E_RNA) where: Base-Base interactions energy: -315.456 where: short stacking energy: -146.904 Base-Backbone interact. energy: -1.197 local terms energy: -225.271391 where: bonds (distance) C4'-P energy: -50.421 bonds (distance) P-C4' energy: -59.621 flat angles C4'-P-C4' energy: -60.212 flat angles P-C4'-P energy: -29.153 tors. eta vs tors. theta energy: -25.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -368.004405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.004405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.004405 (E_RNA) where: Base-Base interactions energy: -167.915 where: short stacking energy: -108.155 Base-Backbone interact. energy: -1.521 local terms energy: -198.569015 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -49.636 flat angles P-C4'-P energy: -32.064 tors. eta vs tors. theta energy: 9.115 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: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -382.790801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.790801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.790801 (E_RNA) where: Base-Base interactions energy: -219.659 where: short stacking energy: -116.924 Base-Backbone interact. energy: -1.848 local terms energy: -161.283519 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -42.756 flat angles C4'-P-C4' energy: -45.210 flat angles P-C4'-P energy: -18.805 tors. eta vs tors. theta energy: 4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -949.790718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.790718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.790718 (E_RNA) where: Base-Base interactions energy: -609.882 where: short stacking energy: -314.278 Base-Backbone interact. energy: -1.671 local terms energy: -338.237784 where: bonds (distance) C4'-P energy: -74.922 bonds (distance) P-C4' energy: -76.618 flat angles C4'-P-C4' energy: -64.049 flat angles P-C4'-P energy: -46.314 tors. eta vs tors. theta energy: -76.336 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: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -904.027647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.027647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.027647 (E_RNA) where: Base-Base interactions energy: -594.274 where: short stacking energy: -298.565 Base-Backbone interact. energy: -1.671 local terms energy: -308.082638 where: bonds (distance) C4'-P energy: -64.698 bonds (distance) P-C4' energy: -64.007 flat angles C4'-P-C4' energy: -70.249 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -71.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -804.977458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.977458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.977458 (E_RNA) where: Base-Base interactions energy: -508.430 where: short stacking energy: -262.145 Base-Backbone interact. energy: 0.989 local terms energy: -297.537076 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -74.444 flat angles C4'-P-C4' energy: -70.386 flat angles P-C4'-P energy: -29.393 tors. eta vs tors. theta energy: -54.155 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: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -887.806155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.806155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.806155 (E_RNA) where: Base-Base interactions energy: -582.702 where: short stacking energy: -262.312 Base-Backbone interact. energy: 0.109 local terms energy: -305.213312 where: bonds (distance) C4'-P energy: -58.346 bonds (distance) P-C4' energy: -66.921 flat angles C4'-P-C4' energy: -66.692 flat angles P-C4'-P energy: -43.301 tors. eta vs tors. theta energy: -69.954 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: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -720.601882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.601882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.601882 (E_RNA) where: Base-Base interactions energy: -474.314 where: short stacking energy: -267.451 Base-Backbone interact. energy: 1.996 local terms energy: -248.284650 where: bonds (distance) C4'-P energy: -53.631 bonds (distance) P-C4' energy: -48.554 flat angles C4'-P-C4' energy: -49.556 flat angles P-C4'-P energy: -38.528 tors. eta vs tors. theta energy: -58.016 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: 9 Temperature: 1.150000 Total energy: -874.866497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.866497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.866497 (E_RNA) where: Base-Base interactions energy: -587.278 where: short stacking energy: -255.162 Base-Backbone interact. energy: -1.027 local terms energy: -286.562401 where: bonds (distance) C4'-P energy: -54.933 bonds (distance) P-C4' energy: -71.885 flat angles C4'-P-C4' energy: -57.886 flat angles P-C4'-P energy: -41.038 tors. eta vs tors. theta energy: -60.820 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: 9 Temperature: 1.200000 Total energy: -664.459070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.459070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.459070 (E_RNA) where: Base-Base interactions energy: -407.195 where: short stacking energy: -197.186 Base-Backbone interact. energy: -0.412 local terms energy: -256.852629 where: bonds (distance) C4'-P energy: -58.518 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -61.894 flat angles P-C4'-P energy: -42.055 tors. eta vs tors. theta energy: -33.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -596.302663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.302663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.302663 (E_RNA) where: Base-Base interactions energy: -374.912 where: short stacking energy: -166.032 Base-Backbone interact. energy: -1.531 local terms energy: -219.859396 where: bonds (distance) C4'-P energy: -53.411 bonds (distance) P-C4' energy: -72.297 flat angles C4'-P-C4' energy: -49.245 flat angles P-C4'-P energy: -32.170 tors. eta vs tors. theta energy: -12.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -434.745691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.745691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.745691 (E_RNA) where: Base-Base interactions energy: -233.418 where: short stacking energy: -115.991 Base-Backbone interact. energy: 2.308 local terms energy: -203.635915 where: bonds (distance) C4'-P energy: -58.267 bonds (distance) P-C4' energy: -65.263 flat angles C4'-P-C4' energy: -45.126 flat angles P-C4'-P energy: -30.122 tors. eta vs tors. theta energy: -4.859 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: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -456.837249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.837249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.837249 (E_RNA) where: Base-Base interactions energy: -268.388 where: short stacking energy: -117.691 Base-Backbone interact. energy: -0.233 local terms energy: -188.215628 where: bonds (distance) C4'-P energy: -60.222 bonds (distance) P-C4' energy: -57.711 flat angles C4'-P-C4' energy: -42.532 flat angles P-C4'-P energy: -35.035 tors. eta vs tors. theta energy: 7.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -923.213138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.213138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.213138 (E_RNA) where: Base-Base interactions energy: -589.815 where: short stacking energy: -293.058 Base-Backbone interact. energy: -1.348 local terms energy: -332.050043 where: bonds (distance) C4'-P energy: -61.478 bonds (distance) P-C4' energy: -73.076 flat angles C4'-P-C4' energy: -80.359 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -75.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -902.881078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.881078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.881078 (E_RNA) where: Base-Base interactions energy: -585.005 where: short stacking energy: -291.738 Base-Backbone interact. energy: -0.059 local terms energy: -317.816845 where: bonds (distance) C4'-P energy: -67.056 bonds (distance) P-C4' energy: -71.040 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -44.537 tors. eta vs tors. theta energy: -67.302 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: 3, replica: 9 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -967.737042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.737042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.737042 (E_RNA) where: Base-Base interactions energy: -629.557 where: short stacking energy: -293.341 Base-Backbone interact. energy: -0.464 local terms energy: -337.715842 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -71.704 flat angles C4'-P-C4' energy: -79.851 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -78.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -804.523704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.523704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.523704 (E_RNA) where: Base-Base interactions energy: -523.677 where: short stacking energy: -269.191 Base-Backbone interact. energy: 1.181 local terms energy: -282.027818 where: bonds (distance) C4'-P energy: -69.455 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -68.377 flat angles P-C4'-P energy: -31.025 tors. eta vs tors. theta energy: -55.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -895.763533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.763533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.763533 (E_RNA) where: Base-Base interactions energy: -601.431 where: short stacking energy: -272.137 Base-Backbone interact. energy: 0.770 local terms energy: -295.102557 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -69.681 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -70.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -703.805366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.805366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.805366 (E_RNA) where: Base-Base interactions energy: -423.822 where: short stacking energy: -247.604 Base-Backbone interact. energy: 0.142 local terms energy: -280.125709 where: bonds (distance) C4'-P energy: -49.292 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -57.123 flat angles P-C4'-P energy: -39.794 tors. eta vs tors. theta energy: -64.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -666.222960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.222960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.222960 (E_RNA) where: Base-Base interactions energy: -420.354 where: short stacking energy: -195.313 Base-Backbone interact. energy: -2.053 local terms energy: -243.816012 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -52.900 flat angles P-C4'-P energy: -43.296 tors. eta vs tors. theta energy: -33.021 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: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -583.893339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.893339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.893339 (E_RNA) where: Base-Base interactions energy: -370.597 where: short stacking energy: -173.128 Base-Backbone interact. energy: -0.129 local terms energy: -213.167418 where: bonds (distance) C4'-P energy: -48.430 bonds (distance) P-C4' energy: -53.234 flat angles C4'-P-C4' energy: -57.996 flat angles P-C4'-P energy: -31.561 tors. eta vs tors. theta energy: -21.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -514.420935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.420935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.420935 (E_RNA) where: Base-Base interactions energy: -302.245 where: short stacking energy: -153.920 Base-Backbone interact. energy: -0.052 local terms energy: -212.123817 where: bonds (distance) C4'-P energy: -48.546 bonds (distance) P-C4' energy: -58.364 flat angles C4'-P-C4' energy: -58.305 flat angles P-C4'-P energy: -33.595 tors. eta vs tors. theta energy: -13.314 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: 10 Temperature: 1.350000 Total energy: -489.948153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.948153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.948153 (E_RNA) where: Base-Base interactions energy: -275.871 where: short stacking energy: -131.843 Base-Backbone interact. energy: -0.262 local terms energy: -213.814955 where: bonds (distance) C4'-P energy: -58.840 bonds (distance) P-C4' energy: -61.808 flat angles C4'-P-C4' energy: -53.366 flat angles P-C4'-P energy: -38.568 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -934.145007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.145007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.145007 (E_RNA) where: Base-Base interactions energy: -612.514 where: short stacking energy: -312.475 Base-Backbone interact. energy: -2.875 local terms energy: -318.755710 where: bonds (distance) C4'-P energy: -67.233 bonds (distance) P-C4' energy: -54.535 flat angles C4'-P-C4' energy: -62.380 flat angles P-C4'-P energy: -61.657 tors. eta vs tors. theta energy: -72.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -974.764447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.764447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.764447 (E_RNA) where: Base-Base interactions energy: -667.955 where: short stacking energy: -290.640 Base-Backbone interact. energy: -0.977 local terms energy: -305.832378 where: bonds (distance) C4'-P energy: -68.999 bonds (distance) P-C4' energy: -65.805 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -40.632 tors. eta vs tors. theta energy: -66.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -864.096622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.096622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.096622 (E_RNA) where: Base-Base interactions energy: -539.550 where: short stacking energy: -272.822 Base-Backbone interact. energy: -0.564 local terms energy: -323.982715 where: bonds (distance) C4'-P energy: -67.882 bonds (distance) P-C4' energy: -69.371 flat angles C4'-P-C4' energy: -77.712 flat angles P-C4'-P energy: -44.345 tors. eta vs tors. theta energy: -64.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -948.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.963587 (E_RNA) where: Base-Base interactions energy: -639.248 where: short stacking energy: -286.433 Base-Backbone interact. energy: -3.399 local terms energy: -306.316354 where: bonds (distance) C4'-P energy: -54.473 bonds (distance) P-C4' energy: -67.904 flat angles C4'-P-C4' energy: -73.732 flat angles P-C4'-P energy: -48.073 tors. eta vs tors. theta energy: -62.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -815.807395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.807395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.807395 (E_RNA) where: Base-Base interactions energy: -542.598 where: short stacking energy: -243.112 Base-Backbone interact. energy: 3.094 local terms energy: -276.303444 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -54.912 flat angles C4'-P-C4' energy: -60.977 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -55.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -754.251540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.251540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.251540 (E_RNA) where: Base-Base interactions energy: -475.418 where: short stacking energy: -238.139 Base-Backbone interact. energy: 2.124 local terms energy: -280.957477 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -71.927 flat angles C4'-P-C4' energy: -53.810 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -56.163 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: 11 Temperature: 1.200000 Total energy: -759.629318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.629318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.629318 (E_RNA) where: Base-Base interactions energy: -502.383 where: short stacking energy: -228.258 Base-Backbone interact. energy: 0.390 local terms energy: -257.636573 where: bonds (distance) C4'-P energy: -62.710 bonds (distance) P-C4' energy: -61.193 flat angles C4'-P-C4' energy: -63.742 flat angles P-C4'-P energy: -27.009 tors. eta vs tors. theta energy: -42.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -639.788224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.788224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.788224 (E_RNA) where: Base-Base interactions energy: -395.023 where: short stacking energy: -174.229 Base-Backbone interact. energy: -2.152 local terms energy: -242.613093 where: bonds (distance) C4'-P energy: -49.040 bonds (distance) P-C4' energy: -57.437 flat angles C4'-P-C4' energy: -67.660 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -23.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -517.422711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.422711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.422711 (E_RNA) where: Base-Base interactions energy: -291.852 where: short stacking energy: -147.758 Base-Backbone interact. energy: -2.511 local terms energy: -223.059332 where: bonds (distance) C4'-P energy: -59.339 bonds (distance) P-C4' energy: -51.763 flat angles C4'-P-C4' energy: -60.328 flat angles P-C4'-P energy: -30.647 tors. eta vs tors. theta energy: -20.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -484.936788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.936788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.936788 (E_RNA) where: Base-Base interactions energy: -297.170 where: short stacking energy: -124.970 Base-Backbone interact. energy: -1.878 local terms energy: -185.888380 where: bonds (distance) C4'-P energy: -49.807 bonds (distance) P-C4' energy: -54.530 flat angles C4'-P-C4' energy: -42.774 flat angles P-C4'-P energy: -36.373 tors. eta vs tors. theta energy: -2.405 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: 9 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1021.670802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.670802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.670802 (E_RNA) where: Base-Base interactions energy: -691.807 where: short stacking energy: -300.736 Base-Backbone interact. energy: -2.322 local terms energy: -327.541812 where: bonds (distance) C4'-P energy: -75.126 bonds (distance) P-C4' energy: -68.485 flat angles C4'-P-C4' energy: -69.585 flat angles P-C4'-P energy: -43.106 tors. eta vs tors. theta energy: -71.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -908.055458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.055458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.055458 (E_RNA) where: Base-Base interactions energy: -585.223 where: short stacking energy: -272.514 Base-Backbone interact. energy: -1.558 local terms energy: -321.274515 where: bonds (distance) C4'-P energy: -67.885 bonds (distance) P-C4' energy: -75.988 flat angles C4'-P-C4' energy: -69.583 flat angles P-C4'-P energy: -47.115 tors. eta vs tors. theta energy: -60.703 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -991.888609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.888609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.888609 (E_RNA) where: Base-Base interactions energy: -647.181 where: short stacking energy: -299.716 Base-Backbone interact. energy: 0.596 local terms energy: -345.303392 where: bonds (distance) C4'-P energy: -75.870 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -42.892 tors. eta vs tors. theta energy: -78.750 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: 12 Temperature: 1.050000 Total energy: -845.357907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.357907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.357907 (E_RNA) where: Base-Base interactions energy: -529.320 where: short stacking energy: -262.027 Base-Backbone interact. energy: -0.603 local terms energy: -315.435050 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -76.015 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -58.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -844.214663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.214663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.214663 (E_RNA) where: Base-Base interactions energy: -565.722 where: short stacking energy: -273.875 Base-Backbone interact. energy: -0.984 local terms energy: -277.508573 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -60.098 flat angles P-C4'-P energy: -44.537 tors. eta vs tors. theta energy: -60.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -771.915156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.915156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.915156 (E_RNA) where: Base-Base interactions energy: -492.847 where: short stacking energy: -217.997 Base-Backbone interact. energy: 1.971 local terms energy: -281.039115 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -68.687 flat angles C4'-P-C4' energy: -61.731 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -47.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -730.222406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.222406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.222406 (E_RNA) where: Base-Base interactions energy: -466.491 where: short stacking energy: -232.039 Base-Backbone interact. energy: -0.722 local terms energy: -263.009514 where: bonds (distance) C4'-P energy: -48.664 bonds (distance) P-C4' energy: -70.799 flat angles C4'-P-C4' energy: -64.052 flat angles P-C4'-P energy: -30.124 tors. eta vs tors. theta energy: -49.370 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: 6 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -658.713221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.713221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.713221 (E_RNA) where: Base-Base interactions energy: -417.456 where: short stacking energy: -200.814 Base-Backbone interact. energy: -1.768 local terms energy: -239.489152 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -49.685 flat angles C4'-P-C4' energy: -61.104 flat angles P-C4'-P energy: -43.945 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: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -594.667589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.667589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.667589 (E_RNA) where: Base-Base interactions energy: -366.414 where: short stacking energy: -188.918 Base-Backbone interact. energy: -1.658 local terms energy: -226.596218 where: bonds (distance) C4'-P energy: -54.468 bonds (distance) P-C4' energy: -59.935 flat angles C4'-P-C4' energy: -60.944 flat angles P-C4'-P energy: -29.872 tors. eta vs tors. theta energy: -21.377 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: 12 Temperature: 1.350000 Total energy: -518.571936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.571936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.571936 (E_RNA) where: Base-Base interactions energy: -275.978 where: short stacking energy: -137.140 Base-Backbone interact. energy: -0.607 local terms energy: -241.986733 where: bonds (distance) C4'-P energy: -59.670 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -57.967 flat angles P-C4'-P energy: -37.274 tors. eta vs tors. theta energy: -21.802 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: 9 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1022.125573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.125573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.125573 (E_RNA) where: Base-Base interactions energy: -675.208 where: short stacking energy: -315.137 Base-Backbone interact. energy: -4.523 local terms energy: -342.394545 where: bonds (distance) C4'-P energy: -60.510 bonds (distance) P-C4' energy: -80.524 flat angles C4'-P-C4' energy: -74.675 flat angles P-C4'-P energy: -46.711 tors. eta vs tors. theta energy: -79.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1034.211447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.211447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.211447 (E_RNA) where: Base-Base interactions energy: -682.617 where: short stacking energy: -321.010 Base-Backbone interact. energy: 1.234 local terms energy: -352.828621 where: bonds (distance) C4'-P energy: -69.505 bonds (distance) P-C4' energy: -74.068 flat angles C4'-P-C4' energy: -81.777 flat angles P-C4'-P energy: -52.845 tors. eta vs tors. theta energy: -74.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -909.647066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.647066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.647066 (E_RNA) where: Base-Base interactions energy: -575.531 where: short stacking energy: -283.665 Base-Backbone interact. energy: -0.719 local terms energy: -333.397590 where: bonds (distance) C4'-P energy: -69.423 bonds (distance) P-C4' energy: -67.149 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -68.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -919.119141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.119141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.119141 (E_RNA) where: Base-Base interactions energy: -619.935 where: short stacking energy: -277.263 Base-Backbone interact. energy: 0.743 local terms energy: -299.927413 where: bonds (distance) C4'-P energy: -56.184 bonds (distance) P-C4' energy: -73.209 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -54.181 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: 2 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -833.961105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.961105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.961105 (E_RNA) where: Base-Base interactions energy: -534.345 where: short stacking energy: -249.307 Base-Backbone interact. energy: -3.094 local terms energy: -296.522013 where: bonds (distance) C4'-P energy: -53.061 bonds (distance) P-C4' energy: -68.240 flat angles C4'-P-C4' energy: -68.160 flat angles P-C4'-P energy: -45.473 tors. eta vs tors. theta energy: -61.588 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: 6, replica: 4 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -796.143723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.143723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.143723 (E_RNA) where: Base-Base interactions energy: -546.555 where: short stacking energy: -242.664 Base-Backbone interact. energy: 1.391 local terms energy: -250.979902 where: bonds (distance) C4'-P energy: -57.578 bonds (distance) P-C4' energy: -50.689 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -29.131 tors. eta vs tors. theta energy: -49.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -727.585566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.585566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.585566 (E_RNA) where: Base-Base interactions energy: -474.978 where: short stacking energy: -219.788 Base-Backbone interact. energy: -1.554 local terms energy: -251.053423 where: bonds (distance) C4'-P energy: -54.738 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -59.379 flat angles P-C4'-P energy: -31.562 tors. eta vs tors. theta energy: -36.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -664.616183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.616183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.616183 (E_RNA) where: Base-Base interactions energy: -420.643 where: short stacking energy: -173.809 Base-Backbone interact. energy: -0.568 local terms energy: -243.405316 where: bonds (distance) C4'-P energy: -52.329 bonds (distance) P-C4' energy: -62.730 flat angles C4'-P-C4' energy: -62.886 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: -32.276 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: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -635.660482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.660482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.660482 (E_RNA) where: Base-Base interactions energy: -406.617 where: short stacking energy: -180.999 Base-Backbone interact. energy: 1.186 local terms energy: -230.228581 where: bonds (distance) C4'-P energy: -57.318 bonds (distance) P-C4' energy: -62.468 flat angles C4'-P-C4' energy: -46.809 flat angles P-C4'-P energy: -31.944 tors. eta vs tors. theta energy: -31.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -522.613732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.613732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.613732 (E_RNA) where: Base-Base interactions energy: -314.367 where: short stacking energy: -169.982 Base-Backbone interact. energy: -1.281 local terms energy: -206.966400 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -50.411 flat angles P-C4'-P energy: -23.138 tors. eta vs tors. theta energy: -17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1107.106828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.106828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.106828 (E_RNA) where: Base-Base interactions energy: -740.278 where: short stacking energy: -318.687 Base-Backbone interact. energy: -1.956 local terms energy: -364.873247 where: bonds (distance) C4'-P energy: -72.734 bonds (distance) P-C4' energy: -74.386 flat angles C4'-P-C4' energy: -79.624 flat angles P-C4'-P energy: -56.450 tors. eta vs tors. theta energy: -81.679 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: 9 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1019.916360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.916360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.916360 (E_RNA) where: Base-Base interactions energy: -686.477 where: short stacking energy: -297.314 Base-Backbone interact. energy: -3.536 local terms energy: -329.903711 where: bonds (distance) C4'-P energy: -70.187 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -76.957 flat angles P-C4'-P energy: -47.544 tors. eta vs tors. theta energy: -70.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -968.050959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.050959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.050959 (E_RNA) where: Base-Base interactions energy: -646.073 where: short stacking energy: -275.712 Base-Backbone interact. energy: 2.205 local terms energy: -324.183112 where: bonds (distance) C4'-P energy: -65.812 bonds (distance) P-C4' energy: -71.183 flat angles C4'-P-C4' energy: -72.420 flat angles P-C4'-P energy: -49.976 tors. eta vs tors. theta energy: -64.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -843.384743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.384743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.384743 (E_RNA) where: Base-Base interactions energy: -556.934 where: short stacking energy: -278.440 Base-Backbone interact. energy: -1.302 local terms energy: -285.148940 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -60.448 flat angles C4'-P-C4' energy: -60.053 flat angles P-C4'-P energy: -42.986 tors. eta vs tors. theta energy: -60.613 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: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -849.964348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.964348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.964348 (E_RNA) where: Base-Base interactions energy: -562.070 where: short stacking energy: -257.615 Base-Backbone interact. energy: 0.944 local terms energy: -288.838083 where: bonds (distance) C4'-P energy: -61.061 bonds (distance) P-C4' energy: -59.580 flat angles C4'-P-C4' energy: -66.876 flat angles P-C4'-P energy: -39.946 tors. eta vs tors. theta energy: -61.375 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: 14 Temperature: 1.150000 Total energy: -770.251028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.251028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.251028 (E_RNA) where: Base-Base interactions energy: -476.482 where: short stacking energy: -225.191 Base-Backbone interact. energy: 0.233 local terms energy: -294.001817 where: bonds (distance) C4'-P energy: -69.376 bonds (distance) P-C4' energy: -68.410 flat angles C4'-P-C4' energy: -60.803 flat angles P-C4'-P energy: -38.105 tors. eta vs tors. theta energy: -57.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -763.343252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.343252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.343252 (E_RNA) where: Base-Base interactions energy: -487.861 where: short stacking energy: -228.746 Base-Backbone interact. energy: -1.450 local terms energy: -274.032469 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -41.026 tors. eta vs tors. theta energy: -43.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -737.249786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.249786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.249786 (E_RNA) where: Base-Base interactions energy: -505.686 where: short stacking energy: -212.227 Base-Backbone interact. energy: -1.820 local terms energy: -229.743853 where: bonds (distance) C4'-P energy: -49.985 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -67.293 flat angles P-C4'-P energy: -28.699 tors. eta vs tors. theta energy: -32.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -622.092112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.092112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.092112 (E_RNA) where: Base-Base interactions energy: -406.368 where: short stacking energy: -193.347 Base-Backbone interact. energy: 2.779 local terms energy: -218.503288 where: bonds (distance) C4'-P energy: -41.754 bonds (distance) P-C4' energy: -56.750 flat angles C4'-P-C4' energy: -52.750 flat angles P-C4'-P energy: -35.424 tors. eta vs tors. theta energy: -31.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -494.822617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.822617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.822617 (E_RNA) where: Base-Base interactions energy: -287.664 where: short stacking energy: -149.355 Base-Backbone interact. energy: 3.075 local terms energy: -210.233429 where: bonds (distance) C4'-P energy: -56.837 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -55.814 flat angles P-C4'-P energy: -30.124 tors. eta vs tors. theta energy: -8.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1109.368635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.368635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.368635 (E_RNA) where: Base-Base interactions energy: -751.153 where: short stacking energy: -321.167 Base-Backbone interact. energy: -1.358 local terms energy: -356.857852 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -73.141 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -54.033 tors. eta vs tors. theta energy: -72.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1005.673687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.673687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.673687 (E_RNA) where: Base-Base interactions energy: -677.354 where: short stacking energy: -273.723 Base-Backbone interact. energy: -3.520 local terms energy: -324.799925 where: bonds (distance) C4'-P energy: -62.753 bonds (distance) P-C4' energy: -68.703 flat angles C4'-P-C4' energy: -75.490 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -68.543 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: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -960.402142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.402142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.402142 (E_RNA) where: Base-Base interactions energy: -632.215 where: short stacking energy: -289.248 Base-Backbone interact. energy: -1.404 local terms energy: -326.782627 where: bonds (distance) C4'-P energy: -64.201 bonds (distance) P-C4' energy: -75.585 flat angles C4'-P-C4' energy: -69.326 flat angles P-C4'-P energy: -34.299 tors. eta vs tors. theta energy: -83.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -902.232303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.232303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.232303 (E_RNA) where: Base-Base interactions energy: -609.381 where: short stacking energy: -269.706 Base-Backbone interact. energy: 1.037 local terms energy: -293.887960 where: bonds (distance) C4'-P energy: -63.814 bonds (distance) P-C4' energy: -65.448 flat angles C4'-P-C4' energy: -72.979 flat angles P-C4'-P energy: -38.399 tors. eta vs tors. theta energy: -53.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -802.059001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.059001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.059001 (E_RNA) where: Base-Base interactions energy: -514.590 where: short stacking energy: -272.724 Base-Backbone interact. energy: 2.389 local terms energy: -289.857774 where: bonds (distance) C4'-P energy: -58.866 bonds (distance) P-C4' energy: -70.420 flat angles C4'-P-C4' energy: -59.938 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -57.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -834.799106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.799106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.799106 (E_RNA) where: Base-Base interactions energy: -543.918 where: short stacking energy: -248.082 Base-Backbone interact. energy: -0.376 local terms energy: -290.504851 where: bonds (distance) C4'-P energy: -60.024 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -66.060 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -54.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -753.804579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.804579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.804579 (E_RNA) where: Base-Base interactions energy: -480.245 where: short stacking energy: -196.809 Base-Backbone interact. energy: -0.866 local terms energy: -272.693969 where: bonds (distance) C4'-P energy: -67.394 bonds (distance) P-C4' energy: -50.865 flat angles C4'-P-C4' energy: -66.555 flat angles P-C4'-P energy: -50.659 tors. eta vs tors. theta energy: -37.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -737.723817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.723817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.723817 (E_RNA) where: Base-Base interactions energy: -523.985 where: short stacking energy: -224.425 Base-Backbone interact. energy: 5.296 local terms energy: -219.034402 where: bonds (distance) C4'-P energy: -45.402 bonds (distance) P-C4' energy: -51.927 flat angles C4'-P-C4' energy: -45.739 flat angles P-C4'-P energy: -32.606 tors. eta vs tors. theta energy: -43.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -605.244178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.244178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.244178 (E_RNA) where: Base-Base interactions energy: -381.509 where: short stacking energy: -159.069 Base-Backbone interact. energy: 0.535 local terms energy: -224.269981 where: bonds (distance) C4'-P energy: -53.665 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -52.743 flat angles P-C4'-P energy: -35.942 tors. eta vs tors. theta energy: -21.810 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: 15 Temperature: 1.350000 Total energy: -467.348542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.348542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.348542 (E_RNA) where: Base-Base interactions energy: -258.249 where: short stacking energy: -129.443 Base-Backbone interact. energy: 2.600 local terms energy: -211.699374 where: bonds (distance) C4'-P energy: -63.468 bonds (distance) P-C4' energy: -52.107 flat angles C4'-P-C4' energy: -55.299 flat angles P-C4'-P energy: -33.838 tors. eta vs tors. theta energy: -6.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1089.076524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.076524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.076524 (E_RNA) where: Base-Base interactions energy: -731.533 where: short stacking energy: -329.612 Base-Backbone interact. energy: -1.463 local terms energy: -356.080382 where: bonds (distance) C4'-P energy: -68.357 bonds (distance) P-C4' energy: -70.785 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -80.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1028.670526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.670526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.670526 (E_RNA) where: Base-Base interactions energy: -689.584 where: short stacking energy: -293.977 Base-Backbone interact. energy: -1.029 local terms energy: -338.057391 where: bonds (distance) C4'-P energy: -73.989 bonds (distance) P-C4' energy: -71.011 flat angles C4'-P-C4' energy: -76.871 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -70.470 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: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -975.695631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.695631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.695631 (E_RNA) where: Base-Base interactions energy: -653.485 where: short stacking energy: -288.947 Base-Backbone interact. energy: -1.225 local terms energy: -320.985435 where: bonds (distance) C4'-P energy: -65.538 bonds (distance) P-C4' energy: -67.351 flat angles C4'-P-C4' energy: -66.583 flat angles P-C4'-P energy: -49.106 tors. eta vs tors. theta energy: -72.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -920.775303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.775303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.775303 (E_RNA) where: Base-Base interactions energy: -591.042 where: short stacking energy: -291.862 Base-Backbone interact. energy: -0.501 local terms energy: -329.231968 where: bonds (distance) C4'-P energy: -71.837 bonds (distance) P-C4' energy: -69.813 flat angles C4'-P-C4' energy: -79.417 flat angles P-C4'-P energy: -40.043 tors. eta vs tors. theta energy: -68.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -934.211003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.211003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.211003 (E_RNA) where: Base-Base interactions energy: -646.177 where: short stacking energy: -269.786 Base-Backbone interact. energy: 3.464 local terms energy: -291.497950 where: bonds (distance) C4'-P energy: -62.287 bonds (distance) P-C4' energy: -62.881 flat angles C4'-P-C4' energy: -67.764 flat angles P-C4'-P energy: -40.593 tors. eta vs tors. theta energy: -57.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -770.266160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.266160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.266160 (E_RNA) where: Base-Base interactions energy: -486.848 where: short stacking energy: -222.420 Base-Backbone interact. energy: -0.228 local terms energy: -283.189540 where: bonds (distance) C4'-P energy: -57.218 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -62.121 flat angles P-C4'-P energy: -42.073 tors. eta vs tors. theta energy: -59.509 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: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -791.980382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.980382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.980382 (E_RNA) where: Base-Base interactions energy: -521.670 where: short stacking energy: -221.352 Base-Backbone interact. energy: -2.125 local terms energy: -268.184692 where: bonds (distance) C4'-P energy: -52.470 bonds (distance) P-C4' energy: -66.331 flat angles C4'-P-C4' energy: -67.626 flat angles P-C4'-P energy: -38.435 tors. eta vs tors. theta energy: -43.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -704.679195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.679195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.679195 (E_RNA) where: Base-Base interactions energy: -446.867 where: short stacking energy: -201.993 Base-Backbone interact. energy: -0.676 local terms energy: -257.136526 where: bonds (distance) C4'-P energy: -40.495 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -60.061 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: -48.171 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: 7 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -509.629288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.629288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.629288 (E_RNA) where: Base-Base interactions energy: -298.588 where: short stacking energy: -173.155 Base-Backbone interact. energy: 0.584 local terms energy: -211.624578 where: bonds (distance) C4'-P energy: -43.974 bonds (distance) P-C4' energy: -56.749 flat angles C4'-P-C4' energy: -55.683 flat angles P-C4'-P energy: -32.717 tors. eta vs tors. theta energy: -22.502 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: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -489.202974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.202974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.202974 (E_RNA) where: Base-Base interactions energy: -289.935 where: short stacking energy: -139.798 Base-Backbone interact. energy: -0.098 local terms energy: -199.169401 where: bonds (distance) C4'-P energy: -60.565 bonds (distance) P-C4' energy: -57.062 flat angles C4'-P-C4' energy: -50.734 flat angles P-C4'-P energy: -25.917 tors. eta vs tors. theta energy: -4.891 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: 1, replica: 5 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1098.682541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.682541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.682541 (E_RNA) where: Base-Base interactions energy: -746.365 where: short stacking energy: -320.905 Base-Backbone interact. energy: -2.221 local terms energy: -350.096502 where: bonds (distance) C4'-P energy: -69.256 bonds (distance) P-C4' energy: -73.121 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -49.005 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1046.222141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.222141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.222141 (E_RNA) where: Base-Base interactions energy: -706.639 where: short stacking energy: -319.967 Base-Backbone interact. energy: -2.212 local terms energy: -337.370578 where: bonds (distance) C4'-P energy: -70.163 bonds (distance) P-C4' energy: -66.412 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -76.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1013.160570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.160570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.160570 (E_RNA) where: Base-Base interactions energy: -686.623 where: short stacking energy: -304.500 Base-Backbone interact. energy: -0.402 local terms energy: -326.135837 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -64.444 flat angles C4'-P-C4' energy: -75.872 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -74.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -955.168323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.168323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.168323 (E_RNA) where: Base-Base interactions energy: -672.000 where: short stacking energy: -272.522 Base-Backbone interact. energy: 0.400 local terms energy: -283.568078 where: bonds (distance) C4'-P energy: -44.407 bonds (distance) P-C4' energy: -68.967 flat angles C4'-P-C4' energy: -65.345 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -63.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -884.693618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.693618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.693618 (E_RNA) where: Base-Base interactions energy: -582.352 where: short stacking energy: -265.555 Base-Backbone interact. energy: -1.140 local terms energy: -301.200984 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -42.532 tors. eta vs tors. theta energy: -69.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -860.976281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.976281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.976281 (E_RNA) where: Base-Base interactions energy: -572.330 where: short stacking energy: -257.802 Base-Backbone interact. energy: -2.666 local terms energy: -285.980255 where: bonds (distance) C4'-P energy: -56.786 bonds (distance) P-C4' energy: -68.776 flat angles C4'-P-C4' energy: -62.848 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -50.649 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: 1 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -682.231883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.231883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.231883 (E_RNA) where: Base-Base interactions energy: -424.918 where: short stacking energy: -218.797 Base-Backbone interact. energy: -0.299 local terms energy: -257.015093 where: bonds (distance) C4'-P energy: -60.780 bonds (distance) P-C4' energy: -45.468 flat angles C4'-P-C4' energy: -65.830 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: -43.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -678.714394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.714394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.714394 (E_RNA) where: Base-Base interactions energy: -453.395 where: short stacking energy: -216.052 Base-Backbone interact. energy: -1.210 local terms energy: -224.108637 where: bonds (distance) C4'-P energy: -48.039 bonds (distance) P-C4' energy: -52.182 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -14.983 tors. eta vs tors. theta energy: -41.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -513.196538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.196538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.196538 (E_RNA) where: Base-Base interactions energy: -310.246 where: short stacking energy: -146.320 Base-Backbone interact. energy: 0.460 local terms energy: -203.410647 where: bonds (distance) C4'-P energy: -49.487 bonds (distance) P-C4' energy: -63.009 flat angles C4'-P-C4' energy: -46.376 flat angles P-C4'-P energy: -34.219 tors. eta vs tors. theta energy: -10.320 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: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -500.380898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.380898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.380898 (E_RNA) where: Base-Base interactions energy: -310.637 where: short stacking energy: -161.698 Base-Backbone interact. energy: -0.044 local terms energy: -189.699426 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -49.349 flat angles C4'-P-C4' energy: -34.856 flat angles P-C4'-P energy: -29.155 tors. eta vs tors. theta energy: -13.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1101.516253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.516253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.516253 (E_RNA) where: Base-Base interactions energy: -745.941 where: short stacking energy: -322.837 Base-Backbone interact. energy: -0.292 local terms energy: -355.283096 where: bonds (distance) C4'-P energy: -77.814 bonds (distance) P-C4' energy: -64.504 flat angles C4'-P-C4' energy: -79.822 flat angles P-C4'-P energy: -51.135 tors. eta vs tors. theta energy: -82.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1008.379545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.379545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.379545 (E_RNA) where: Base-Base interactions energy: -679.211 where: short stacking energy: -300.338 Base-Backbone interact. energy: -1.813 local terms energy: -327.355377 where: bonds (distance) C4'-P energy: -62.178 bonds (distance) P-C4' energy: -71.974 flat angles C4'-P-C4' energy: -80.410 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -69.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1029.395491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.395491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.395491 (E_RNA) where: Base-Base interactions energy: -697.957 where: short stacking energy: -309.586 Base-Backbone interact. energy: 1.780 local terms energy: -333.217860 where: bonds (distance) C4'-P energy: -75.583 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -76.587 flat angles P-C4'-P energy: -51.874 tors. eta vs tors. theta energy: -66.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -995.663471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.663471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.663471 (E_RNA) where: Base-Base interactions energy: -703.321 where: short stacking energy: -287.658 Base-Backbone interact. energy: -1.734 local terms energy: -290.609017 where: bonds (distance) C4'-P energy: -62.482 bonds (distance) P-C4' energy: -54.043 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -49.115 tors. eta vs tors. theta energy: -58.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -933.960432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.960432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.960432 (E_RNA) where: Base-Base interactions energy: -615.223 where: short stacking energy: -278.410 Base-Backbone interact. energy: 0.305 local terms energy: -319.042232 where: bonds (distance) C4'-P energy: -67.388 bonds (distance) P-C4' energy: -69.005 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -42.430 tors. eta vs tors. theta energy: -64.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -857.932614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.932614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.932614 (E_RNA) where: Base-Base interactions energy: -583.667 where: short stacking energy: -249.838 Base-Backbone interact. energy: -1.094 local terms energy: -273.171633 where: bonds (distance) C4'-P energy: -64.810 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -59.226 flat angles P-C4'-P energy: -34.139 tors. eta vs tors. theta energy: -48.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -705.529391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.529391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.529391 (E_RNA) where: Base-Base interactions energy: -449.029 where: short stacking energy: -213.926 Base-Backbone interact. energy: 0.737 local terms energy: -257.238054 where: bonds (distance) C4'-P energy: -49.749 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -62.040 flat angles P-C4'-P energy: -34.520 tors. eta vs tors. theta energy: -48.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -610.880591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.880591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.880591 (E_RNA) where: Base-Base interactions energy: -375.726 where: short stacking energy: -176.829 Base-Backbone interact. energy: -2.181 local terms energy: -232.973702 where: bonds (distance) C4'-P energy: -52.844 bonds (distance) P-C4' energy: -62.886 flat angles C4'-P-C4' energy: -58.964 flat angles P-C4'-P energy: -27.615 tors. eta vs tors. theta energy: -30.665 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: 7 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -516.184969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.184969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.184969 (E_RNA) where: Base-Base interactions energy: -314.877 where: short stacking energy: -144.394 Base-Backbone interact. energy: -2.329 local terms energy: -198.978388 where: bonds (distance) C4'-P energy: -41.503 bonds (distance) P-C4' energy: -76.349 flat angles C4'-P-C4' energy: -51.625 flat angles P-C4'-P energy: -24.066 tors. eta vs tors. theta energy: -5.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -499.154294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.154294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.154294 (E_RNA) where: Base-Base interactions energy: -282.052 where: short stacking energy: -135.390 Base-Backbone interact. energy: 0.562 local terms energy: -217.664222 where: bonds (distance) C4'-P energy: -50.662 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -64.848 flat angles P-C4'-P energy: -29.121 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1104.470521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.470521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.470521 (E_RNA) where: Base-Base interactions energy: -763.791 where: short stacking energy: -334.104 Base-Backbone interact. energy: -2.174 local terms energy: -338.505022 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -69.328 flat angles C4'-P-C4' energy: -70.480 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -78.511 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1073.961994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.961994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.961994 (E_RNA) where: Base-Base interactions energy: -739.043 where: short stacking energy: -331.328 Base-Backbone interact. energy: 0.762 local terms energy: -335.680506 where: bonds (distance) C4'-P energy: -64.207 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -73.130 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -73.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1003.801743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.801743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.801743 (E_RNA) where: Base-Base interactions energy: -688.760 where: short stacking energy: -302.191 Base-Backbone interact. energy: 0.118 local terms energy: -315.159573 where: bonds (distance) C4'-P energy: -60.773 bonds (distance) P-C4' energy: -67.084 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -44.377 tors. eta vs tors. theta energy: -73.085 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: 4, replica: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -999.012327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.012327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.012327 (E_RNA) where: Base-Base interactions energy: -700.852 where: short stacking energy: -301.792 Base-Backbone interact. energy: -1.091 local terms energy: -297.069112 where: bonds (distance) C4'-P energy: -60.340 bonds (distance) P-C4' energy: -59.371 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -40.763 tors. eta vs tors. theta energy: -72.664 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: 4 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -936.347868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.347868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.347868 (E_RNA) where: Base-Base interactions energy: -640.324 where: short stacking energy: -272.017 Base-Backbone interact. energy: -1.079 local terms energy: -294.945010 where: bonds (distance) C4'-P energy: -48.007 bonds (distance) P-C4' energy: -63.379 flat angles C4'-P-C4' energy: -74.641 flat angles P-C4'-P energy: -44.406 tors. eta vs tors. theta energy: -64.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -855.531955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.531955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.531955 (E_RNA) where: Base-Base interactions energy: -586.041 where: short stacking energy: -237.306 Base-Backbone interact. energy: 1.138 local terms energy: -270.629270 where: bonds (distance) C4'-P energy: -49.692 bonds (distance) P-C4' energy: -74.048 flat angles C4'-P-C4' energy: -66.045 flat angles P-C4'-P energy: -39.911 tors. eta vs tors. theta energy: -40.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -731.874264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.874264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.874264 (E_RNA) where: Base-Base interactions energy: -471.554 where: short stacking energy: -221.905 Base-Backbone interact. energy: -2.480 local terms energy: -257.840183 where: bonds (distance) C4'-P energy: -58.989 bonds (distance) P-C4' energy: -63.520 flat angles C4'-P-C4' energy: -60.027 flat angles P-C4'-P energy: -39.768 tors. eta vs tors. theta energy: -35.536 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: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -613.730995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.730995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.730995 (E_RNA) where: Base-Base interactions energy: -373.392 where: short stacking energy: -198.003 Base-Backbone interact. energy: -2.352 local terms energy: -237.986976 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -64.166 flat angles C4'-P-C4' energy: -63.804 flat angles P-C4'-P energy: -21.954 tors. eta vs tors. theta energy: -31.097 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -535.888334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.888334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.888334 (E_RNA) where: Base-Base interactions energy: -319.005 where: short stacking energy: -154.081 Base-Backbone interact. energy: 0.393 local terms energy: -217.276683 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -51.785 flat angles C4'-P-C4' energy: -54.803 flat angles P-C4'-P energy: -34.617 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -497.080667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.080667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.080667 (E_RNA) where: Base-Base interactions energy: -290.889 where: short stacking energy: -148.891 Base-Backbone interact. energy: -1.539 local terms energy: -204.652719 where: bonds (distance) C4'-P energy: -71.192 bonds (distance) P-C4' energy: -53.334 flat angles C4'-P-C4' energy: -48.836 flat angles P-C4'-P energy: -24.682 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1118.534106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.534106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.534106 (E_RNA) where: Base-Base interactions energy: -764.463 where: short stacking energy: -317.426 Base-Backbone interact. energy: -2.236 local terms energy: -351.835571 where: bonds (distance) C4'-P energy: -72.812 bonds (distance) P-C4' energy: -70.652 flat angles C4'-P-C4' energy: -80.257 flat angles P-C4'-P energy: -51.695 tors. eta vs tors. theta energy: -76.420 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: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1091.863869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.863869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.863869 (E_RNA) where: Base-Base interactions energy: -735.480 where: short stacking energy: -325.495 Base-Backbone interact. energy: -0.336 local terms energy: -356.047237 where: bonds (distance) C4'-P energy: -80.748 bonds (distance) P-C4' energy: -70.231 flat angles C4'-P-C4' energy: -64.507 flat angles P-C4'-P energy: -56.774 tors. eta vs tors. theta energy: -83.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1060.975500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.975500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.975500 (E_RNA) where: Base-Base interactions energy: -739.673 where: short stacking energy: -301.543 Base-Backbone interact. energy: -0.321 local terms energy: -320.981520 where: bonds (distance) C4'-P energy: -67.209 bonds (distance) P-C4' energy: -63.809 flat angles C4'-P-C4' energy: -67.591 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -74.660 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: 9 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -968.510588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.510588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.510588 (E_RNA) where: Base-Base interactions energy: -662.847 where: short stacking energy: -296.413 Base-Backbone interact. energy: -0.508 local terms energy: -305.155508 where: bonds (distance) C4'-P energy: -69.028 bonds (distance) P-C4' energy: -58.865 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -33.893 tors. eta vs tors. theta energy: -73.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -892.539470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.539470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.539470 (E_RNA) where: Base-Base interactions energy: -598.174 where: short stacking energy: -276.539 Base-Backbone interact. energy: 1.242 local terms energy: -295.607180 where: bonds (distance) C4'-P energy: -64.384 bonds (distance) P-C4' energy: -64.802 flat angles C4'-P-C4' energy: -70.332 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -53.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -854.315152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.315152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.315152 (E_RNA) where: Base-Base interactions energy: -563.956 where: short stacking energy: -244.030 Base-Backbone interact. energy: -1.788 local terms energy: -288.571587 where: bonds (distance) C4'-P energy: -63.088 bonds (distance) P-C4' energy: -65.656 flat angles C4'-P-C4' energy: -71.459 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -49.261 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: 2 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -735.452883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.452883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.452883 (E_RNA) where: Base-Base interactions energy: -465.458 where: short stacking energy: -212.451 Base-Backbone interact. energy: -1.280 local terms energy: -268.714345 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -64.952 flat angles C4'-P-C4' energy: -60.550 flat angles P-C4'-P energy: -29.433 tors. eta vs tors. theta energy: -46.407 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: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -641.263420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.263420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.263420 (E_RNA) where: Base-Base interactions energy: -413.464 where: short stacking energy: -191.678 Base-Backbone interact. energy: -1.932 local terms energy: -225.867661 where: bonds (distance) C4'-P energy: -45.878 bonds (distance) P-C4' energy: -56.851 flat angles C4'-P-C4' energy: -51.596 flat angles P-C4'-P energy: -40.732 tors. eta vs tors. theta energy: -30.811 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: 20 Temperature: 1.300000 Total energy: -563.548626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.548626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.548626 (E_RNA) where: Base-Base interactions energy: -330.192 where: short stacking energy: -162.058 Base-Backbone interact. energy: -1.326 local terms energy: -232.031382 where: bonds (distance) C4'-P energy: -64.087 bonds (distance) P-C4' energy: -59.103 flat angles C4'-P-C4' energy: -49.667 flat angles P-C4'-P energy: -44.985 tors. eta vs tors. theta energy: -14.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -545.859265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.859265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.859265 (E_RNA) where: Base-Base interactions energy: -314.201 where: short stacking energy: -163.406 Base-Backbone interact. energy: -0.526 local terms energy: -231.132449 where: bonds (distance) C4'-P energy: -61.299 bonds (distance) P-C4' energy: -56.926 flat angles C4'-P-C4' energy: -58.299 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1116.024343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.024343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.024343 (E_RNA) where: Base-Base interactions energy: -756.074 where: short stacking energy: -337.071 Base-Backbone interact. energy: -1.613 local terms energy: -358.337067 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -78.210 flat angles C4'-P-C4' energy: -74.559 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -83.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1128.261978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.261978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.261978 (E_RNA) where: Base-Base interactions energy: -778.633 where: short stacking energy: -332.728 Base-Backbone interact. energy: -3.317 local terms energy: -346.311946 where: bonds (distance) C4'-P energy: -70.767 bonds (distance) P-C4' energy: -76.496 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -49.282 tors. eta vs tors. theta energy: -81.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1035.528023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.528023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.528023 (E_RNA) where: Base-Base interactions energy: -714.507 where: short stacking energy: -290.422 Base-Backbone interact. energy: 1.523 local terms energy: -322.543321 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -71.188 flat angles C4'-P-C4' energy: -72.680 flat angles P-C4'-P energy: -48.850 tors. eta vs tors. theta energy: -61.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -918.873134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.873134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.873134 (E_RNA) where: Base-Base interactions energy: -608.636 where: short stacking energy: -285.725 Base-Backbone interact. energy: -0.862 local terms energy: -309.374966 where: bonds (distance) C4'-P energy: -58.938 bonds (distance) P-C4' energy: -63.361 flat angles C4'-P-C4' energy: -77.644 flat angles P-C4'-P energy: -48.731 tors. eta vs tors. theta energy: -60.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -946.499543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.499543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.499543 (E_RNA) where: Base-Base interactions energy: -651.322 where: short stacking energy: -268.208 Base-Backbone interact. energy: 0.208 local terms energy: -295.385115 where: bonds (distance) C4'-P energy: -60.635 bonds (distance) P-C4' energy: -62.968 flat angles C4'-P-C4' energy: -58.758 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -65.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -884.352674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.352674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.352674 (E_RNA) where: Base-Base interactions energy: -574.591 where: short stacking energy: -256.287 Base-Backbone interact. energy: -1.841 local terms energy: -307.920576 where: bonds (distance) C4'-P energy: -61.834 bonds (distance) P-C4' energy: -70.812 flat angles C4'-P-C4' energy: -69.504 flat angles P-C4'-P energy: -39.252 tors. eta vs tors. theta energy: -66.519 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: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -707.724274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.724274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.724274 (E_RNA) where: Base-Base interactions energy: -444.114 where: short stacking energy: -205.780 Base-Backbone interact. energy: -1.966 local terms energy: -261.644162 where: bonds (distance) C4'-P energy: -69.060 bonds (distance) P-C4' energy: -60.348 flat angles C4'-P-C4' energy: -60.938 flat angles P-C4'-P energy: -32.468 tors. eta vs tors. theta energy: -38.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -619.895863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.895863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.895863 (E_RNA) where: Base-Base interactions energy: -399.430 where: short stacking energy: -181.134 Base-Backbone interact. energy: 3.956 local terms energy: -224.421842 where: bonds (distance) C4'-P energy: -49.790 bonds (distance) P-C4' energy: -65.643 flat angles C4'-P-C4' energy: -46.916 flat angles P-C4'-P energy: -33.993 tors. eta vs tors. theta energy: -28.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -618.835941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.835941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.835941 (E_RNA) where: Base-Base interactions energy: -381.513 where: short stacking energy: -173.504 Base-Backbone interact. energy: 1.970 local terms energy: -239.292699 where: bonds (distance) C4'-P energy: -54.683 bonds (distance) P-C4' energy: -66.370 flat angles C4'-P-C4' energy: -50.536 flat angles P-C4'-P energy: -33.263 tors. eta vs tors. theta energy: -34.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -538.397356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.397356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.397356 (E_RNA) where: Base-Base interactions energy: -312.776 where: short stacking energy: -145.742 Base-Backbone interact. energy: 0.550 local terms energy: -226.170824 where: bonds (distance) C4'-P energy: -49.742 bonds (distance) P-C4' energy: -64.988 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -32.049 tors. eta vs tors. theta energy: -21.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1134.307960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.307960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.307960 (E_RNA) where: Base-Base interactions energy: -788.424 where: short stacking energy: -324.077 Base-Backbone interact. energy: -3.396 local terms energy: -342.487927 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -79.743 flat angles C4'-P-C4' energy: -72.043 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -76.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1099.722445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.722445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.722445 (E_RNA) where: Base-Base interactions energy: -765.200 where: short stacking energy: -316.152 Base-Backbone interact. energy: -2.077 local terms energy: -332.444864 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -73.938 flat angles C4'-P-C4' energy: -75.117 flat angles P-C4'-P energy: -39.337 tors. eta vs tors. theta energy: -80.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1020.046570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.046570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.046570 (E_RNA) where: Base-Base interactions energy: -695.965 where: short stacking energy: -291.941 Base-Backbone interact. energy: -1.789 local terms energy: -322.292821 where: bonds (distance) C4'-P energy: -65.811 bonds (distance) P-C4' energy: -77.328 flat angles C4'-P-C4' energy: -75.276 flat angles P-C4'-P energy: -43.245 tors. eta vs tors. theta energy: -60.634 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: 8 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -961.309278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.309278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.309278 (E_RNA) where: Base-Base interactions energy: -656.438 where: short stacking energy: -293.463 Base-Backbone interact. energy: 0.654 local terms energy: -305.525630 where: bonds (distance) C4'-P energy: -62.361 bonds (distance) P-C4' energy: -57.413 flat angles C4'-P-C4' energy: -68.830 flat angles P-C4'-P energy: -46.322 tors. eta vs tors. theta energy: -70.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -907.937116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.937116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.937116 (E_RNA) where: Base-Base interactions energy: -600.383 where: short stacking energy: -264.766 Base-Backbone interact. energy: -1.328 local terms energy: -306.225930 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -62.343 flat angles P-C4'-P energy: -44.835 tors. eta vs tors. theta energy: -61.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -923.945293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.945293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.945293 (E_RNA) where: Base-Base interactions energy: -633.672 where: short stacking energy: -259.642 Base-Backbone interact. energy: -2.041 local terms energy: -288.232483 where: bonds (distance) C4'-P energy: -64.893 bonds (distance) P-C4' energy: -54.328 flat angles C4'-P-C4' energy: -62.413 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -63.335 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: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -713.561977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.561977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.561977 (E_RNA) where: Base-Base interactions energy: -433.256 where: short stacking energy: -220.238 Base-Backbone interact. energy: -1.623 local terms energy: -278.683032 where: bonds (distance) C4'-P energy: -63.753 bonds (distance) P-C4' energy: -65.627 flat angles C4'-P-C4' energy: -71.300 flat angles P-C4'-P energy: -30.923 tors. eta vs tors. theta energy: -47.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -624.119287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.119287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.119287 (E_RNA) where: Base-Base interactions energy: -393.936 where: short stacking energy: -177.726 Base-Backbone interact. energy: 0.093 local terms energy: -230.276147 where: bonds (distance) C4'-P energy: -53.702 bonds (distance) P-C4' energy: -61.247 flat angles C4'-P-C4' energy: -63.907 flat angles P-C4'-P energy: -34.944 tors. eta vs tors. theta energy: -16.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -583.183941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.183941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.183941 (E_RNA) where: Base-Base interactions energy: -339.778 where: short stacking energy: -175.382 Base-Backbone interact. energy: -1.060 local terms energy: -242.346009 where: bonds (distance) C4'-P energy: -63.155 bonds (distance) P-C4' energy: -57.144 flat angles C4'-P-C4' energy: -54.904 flat angles P-C4'-P energy: -36.640 tors. eta vs tors. theta energy: -30.503 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -553.419272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.419272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.419272 (E_RNA) where: Base-Base interactions energy: -346.986 where: short stacking energy: -152.634 Base-Backbone interact. energy: 0.462 local terms energy: -206.895382 where: bonds (distance) C4'-P energy: -56.567 bonds (distance) P-C4' energy: -59.591 flat angles C4'-P-C4' energy: -52.522 flat angles P-C4'-P energy: -27.910 tors. eta vs tors. theta energy: -10.306 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: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1141.500369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.500369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.500369 (E_RNA) where: Base-Base interactions energy: -792.672 where: short stacking energy: -331.565 Base-Backbone interact. energy: 0.435 local terms energy: -349.263570 where: bonds (distance) C4'-P energy: -64.982 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -73.639 flat angles P-C4'-P energy: -53.889 tors. eta vs tors. theta energy: -79.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1120.944008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.944008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.944008 (E_RNA) where: Base-Base interactions energy: -783.925 where: short stacking energy: -341.032 Base-Backbone interact. energy: 0.274 local terms energy: -337.292690 where: bonds (distance) C4'-P energy: -69.695 bonds (distance) P-C4' energy: -60.977 flat angles C4'-P-C4' energy: -79.821 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -81.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1028.614853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.614853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.614853 (E_RNA) where: Base-Base interactions energy: -703.213 where: short stacking energy: -296.456 Base-Backbone interact. energy: 0.784 local terms energy: -326.185680 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -70.532 flat angles C4'-P-C4' energy: -71.125 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -70.513 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: 4 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -953.262470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.262470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.262470 (E_RNA) where: Base-Base interactions energy: -623.804 where: short stacking energy: -292.887 Base-Backbone interact. energy: 1.418 local terms energy: -330.876677 where: bonds (distance) C4'-P energy: -67.727 bonds (distance) P-C4' energy: -71.309 flat angles C4'-P-C4' energy: -71.362 flat angles P-C4'-P energy: -42.618 tors. eta vs tors. theta energy: -77.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -932.764267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.764267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.764267 (E_RNA) where: Base-Base interactions energy: -638.265 where: short stacking energy: -277.540 Base-Backbone interact. energy: -3.022 local terms energy: -291.476964 where: bonds (distance) C4'-P energy: -56.824 bonds (distance) P-C4' energy: -66.027 flat angles C4'-P-C4' energy: -69.225 flat angles P-C4'-P energy: -43.931 tors. eta vs tors. theta energy: -55.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -888.940387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.940387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.940387 (E_RNA) where: Base-Base interactions energy: -591.836 where: short stacking energy: -259.625 Base-Backbone interact. energy: 1.716 local terms energy: -298.820240 where: bonds (distance) C4'-P energy: -70.279 bonds (distance) P-C4' energy: -59.934 flat angles C4'-P-C4' energy: -72.501 flat angles P-C4'-P energy: -36.325 tors. eta vs tors. theta energy: -59.782 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: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -694.320295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.320295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.320295 (E_RNA) where: Base-Base interactions energy: -412.125 where: short stacking energy: -204.031 Base-Backbone interact. energy: -1.751 local terms energy: -280.444409 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -70.573 flat angles P-C4'-P energy: -36.256 tors. eta vs tors. theta energy: -44.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -540.424683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.424683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.424683 (E_RNA) where: Base-Base interactions energy: -299.289 where: short stacking energy: -164.129 Base-Backbone interact. energy: -1.781 local terms energy: -239.355068 where: bonds (distance) C4'-P energy: -62.688 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -56.115 flat angles P-C4'-P energy: -35.979 tors. eta vs tors. theta energy: -19.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -622.867928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.867928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.867928 (E_RNA) where: Base-Base interactions energy: -400.165 where: short stacking energy: -185.724 Base-Backbone interact. energy: -0.263 local terms energy: -222.440092 where: bonds (distance) C4'-P energy: -46.797 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -55.286 flat angles P-C4'-P energy: -27.635 tors. eta vs tors. theta energy: -28.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -561.571721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.571721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.571721 (E_RNA) where: Base-Base interactions energy: -359.122 where: short stacking energy: -172.216 Base-Backbone interact. energy: 0.998 local terms energy: -203.448445 where: bonds (distance) C4'-P energy: -44.585 bonds (distance) P-C4' energy: -54.673 flat angles C4'-P-C4' energy: -47.251 flat angles P-C4'-P energy: -37.013 tors. eta vs tors. theta energy: -19.926 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: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1140.177004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.177004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.177004 (E_RNA) where: Base-Base interactions energy: -792.825 where: short stacking energy: -332.692 Base-Backbone interact. energy: 1.550 local terms energy: -348.902653 where: bonds (distance) C4'-P energy: -71.308 bonds (distance) P-C4' energy: -73.567 flat angles C4'-P-C4' energy: -81.759 flat angles P-C4'-P energy: -47.934 tors. eta vs tors. theta energy: -74.335 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: 2, replica: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1091.606816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.606816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.606816 (E_RNA) where: Base-Base interactions energy: -739.882 where: short stacking energy: -314.128 Base-Backbone interact. energy: -2.043 local terms energy: -349.682000 where: bonds (distance) C4'-P energy: -66.689 bonds (distance) P-C4' energy: -74.062 flat angles C4'-P-C4' energy: -69.792 flat angles P-C4'-P energy: -54.139 tors. eta vs tors. theta energy: -85.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1058.268430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.268430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.268430 (E_RNA) where: Base-Base interactions energy: -742.568 where: short stacking energy: -322.663 Base-Backbone interact. energy: -1.414 local terms energy: -314.285887 where: bonds (distance) C4'-P energy: -74.377 bonds (distance) P-C4' energy: -59.587 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -48.373 tors. eta vs tors. theta energy: -64.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1005.089918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.089918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.089918 (E_RNA) where: Base-Base interactions energy: -673.216 where: short stacking energy: -328.870 Base-Backbone interact. energy: 2.046 local terms energy: -333.920409 where: bonds (distance) C4'-P energy: -70.467 bonds (distance) P-C4' energy: -59.479 flat angles C4'-P-C4' energy: -71.679 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: -89.261 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: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -946.084951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.084951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.084951 (E_RNA) where: Base-Base interactions energy: -633.909 where: short stacking energy: -294.634 Base-Backbone interact. energy: -0.340 local terms energy: -311.836053 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -68.715 flat angles P-C4'-P energy: -46.801 tors. eta vs tors. theta energy: -69.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -912.776209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.776209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.776209 (E_RNA) where: Base-Base interactions energy: -621.098 where: short stacking energy: -273.112 Base-Backbone interact. energy: -3.252 local terms energy: -288.426359 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -67.717 flat angles C4'-P-C4' energy: -61.174 flat angles P-C4'-P energy: -44.453 tors. eta vs tors. theta energy: -61.691 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: 2 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -736.581972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.581972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.581972 (E_RNA) where: Base-Base interactions energy: -479.823 where: short stacking energy: -213.757 Base-Backbone interact. energy: -1.205 local terms energy: -255.554050 where: bonds (distance) C4'-P energy: -58.797 bonds (distance) P-C4' energy: -56.418 flat angles C4'-P-C4' energy: -67.770 flat angles P-C4'-P energy: -26.298 tors. eta vs tors. theta energy: -46.270 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: 1 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -538.367887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.367887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.367887 (E_RNA) where: Base-Base interactions energy: -294.335 where: short stacking energy: -175.522 Base-Backbone interact. energy: -1.074 local terms energy: -242.958446 where: bonds (distance) C4'-P energy: -63.283 bonds (distance) P-C4' energy: -62.943 flat angles C4'-P-C4' energy: -52.563 flat angles P-C4'-P energy: -35.754 tors. eta vs tors. theta energy: -28.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -652.785070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.785070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.785070 (E_RNA) where: Base-Base interactions energy: -407.965 where: short stacking energy: -183.466 Base-Backbone interact. energy: 4.348 local terms energy: -249.168331 where: bonds (distance) C4'-P energy: -51.543 bonds (distance) P-C4' energy: -60.962 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: -31.259 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: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -494.372337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.372337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.372337 (E_RNA) where: Base-Base interactions energy: -301.886 where: short stacking energy: -134.130 Base-Backbone interact. energy: -1.630 local terms energy: -190.856049 where: bonds (distance) C4'-P energy: -51.023 bonds (distance) P-C4' energy: -49.981 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -40.919 tors. eta vs tors. theta energy: 1.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1129.130382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.130382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.130382 (E_RNA) where: Base-Base interactions energy: -785.468 where: short stacking energy: -312.055 Base-Backbone interact. energy: -3.162 local terms energy: -340.500809 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -73.359 flat angles C4'-P-C4' energy: -79.470 flat angles P-C4'-P energy: -48.291 tors. eta vs tors. theta energy: -76.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1092.538618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.538618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.538618 (E_RNA) where: Base-Base interactions energy: -753.351 where: short stacking energy: -332.156 Base-Backbone interact. energy: -0.199 local terms energy: -338.988139 where: bonds (distance) C4'-P energy: -69.259 bonds (distance) P-C4' energy: -61.353 flat angles C4'-P-C4' energy: -80.386 flat angles P-C4'-P energy: -45.163 tors. eta vs tors. theta energy: -82.828 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: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1042.576432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.576432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.576432 (E_RNA) where: Base-Base interactions energy: -719.239 where: short stacking energy: -305.683 Base-Backbone interact. energy: 0.136 local terms energy: -323.472901 where: bonds (distance) C4'-P energy: -71.646 bonds (distance) P-C4' energy: -60.124 flat angles C4'-P-C4' energy: -77.778 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -67.533 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: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1007.864415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.864415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.864415 (E_RNA) where: Base-Base interactions energy: -672.435 where: short stacking energy: -317.633 Base-Backbone interact. energy: -0.457 local terms energy: -334.972247 where: bonds (distance) C4'-P energy: -52.458 bonds (distance) P-C4' energy: -66.131 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -57.212 tors. eta vs tors. theta energy: -89.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -930.535049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.535049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.535049 (E_RNA) where: Base-Base interactions energy: -623.869 where: short stacking energy: -252.422 Base-Backbone interact. energy: 1.696 local terms energy: -308.361727 where: bonds (distance) C4'-P energy: -62.232 bonds (distance) P-C4' energy: -68.878 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -45.045 tors. eta vs tors. theta energy: -60.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -919.084788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.084788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.084788 (E_RNA) where: Base-Base interactions energy: -638.697 where: short stacking energy: -274.803 Base-Backbone interact. energy: 4.287 local terms energy: -284.674803 where: bonds (distance) C4'-P energy: -56.841 bonds (distance) P-C4' energy: -56.035 flat angles C4'-P-C4' energy: -71.564 flat angles P-C4'-P energy: -42.508 tors. eta vs tors. theta energy: -57.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -766.350422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.350422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.350422 (E_RNA) where: Base-Base interactions energy: -486.167 where: short stacking energy: -244.550 Base-Backbone interact. energy: -0.269 local terms energy: -279.914409 where: bonds (distance) C4'-P energy: -58.287 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -35.344 tors. eta vs tors. theta energy: -56.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -698.371356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.371356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.371356 (E_RNA) where: Base-Base interactions energy: -450.153 where: short stacking energy: -190.553 Base-Backbone interact. energy: -0.754 local terms energy: -247.464471 where: bonds (distance) C4'-P energy: -58.710 bonds (distance) P-C4' energy: -63.139 flat angles C4'-P-C4' energy: -60.546 flat angles P-C4'-P energy: -30.007 tors. eta vs tors. theta energy: -35.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -504.078240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.078240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.078240 (E_RNA) where: Base-Base interactions energy: -297.402 where: short stacking energy: -163.439 Base-Backbone interact. energy: -1.033 local terms energy: -205.643099 where: bonds (distance) C4'-P energy: -37.791 bonds (distance) P-C4' energy: -70.170 flat angles C4'-P-C4' energy: -52.982 flat angles P-C4'-P energy: -18.221 tors. eta vs tors. theta energy: -26.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -471.701616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.701616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.701616 (E_RNA) where: Base-Base interactions energy: -284.552 where: short stacking energy: -157.964 Base-Backbone interact. energy: -1.624 local terms energy: -185.525627 where: bonds (distance) C4'-P energy: -37.165 bonds (distance) P-C4' energy: -49.820 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -17.090 tors. eta vs tors. theta energy: -21.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1128.403949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.403949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.403949 (E_RNA) where: Base-Base interactions energy: -773.554 where: short stacking energy: -341.835 Base-Backbone interact. energy: -0.422 local terms energy: -354.427987 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -77.081 flat angles C4'-P-C4' energy: -75.751 flat angles P-C4'-P energy: -51.073 tors. eta vs tors. theta energy: -84.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1117.519647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.519647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.519647 (E_RNA) where: Base-Base interactions energy: -786.858 where: short stacking energy: -326.127 Base-Backbone interact. energy: -0.673 local terms energy: -329.988769 where: bonds (distance) C4'-P energy: -61.013 bonds (distance) P-C4' energy: -78.353 flat angles C4'-P-C4' energy: -75.497 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: -73.547 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: 26 Temperature: 1.000000 Total energy: -1032.398283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.398283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.398283 (E_RNA) where: Base-Base interactions energy: -664.268 where: short stacking energy: -315.226 Base-Backbone interact. energy: -3.376 local terms energy: -364.753710 where: bonds (distance) C4'-P energy: -64.500 bonds (distance) P-C4' energy: -74.164 flat angles C4'-P-C4' energy: -83.670 flat angles P-C4'-P energy: -47.270 tors. eta vs tors. theta energy: -95.151 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: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -995.873025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.873025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.873025 (E_RNA) where: Base-Base interactions energy: -678.272 where: short stacking energy: -301.047 Base-Backbone interact. energy: -1.526 local terms energy: -316.074449 where: bonds (distance) C4'-P energy: -67.154 bonds (distance) P-C4' energy: -65.768 flat angles C4'-P-C4' energy: -71.430 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -69.858 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: 8 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -886.259570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.259570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.259570 (E_RNA) where: Base-Base interactions energy: -582.368 where: short stacking energy: -269.950 Base-Backbone interact. energy: -1.820 local terms energy: -302.071755 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -67.918 flat angles C4'-P-C4' energy: -73.065 flat angles P-C4'-P energy: -33.802 tors. eta vs tors. theta energy: -66.999 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: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -921.450389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.450389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.450389 (E_RNA) where: Base-Base interactions energy: -615.187 where: short stacking energy: -280.284 Base-Backbone interact. energy: -1.854 local terms energy: -304.409599 where: bonds (distance) C4'-P energy: -50.984 bonds (distance) P-C4' energy: -69.425 flat angles C4'-P-C4' energy: -69.191 flat angles P-C4'-P energy: -48.797 tors. eta vs tors. theta energy: -66.012 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: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -768.995413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.995413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.995413 (E_RNA) where: Base-Base interactions energy: -493.211 where: short stacking energy: -224.907 Base-Backbone interact. energy: -0.235 local terms energy: -275.549686 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -60.395 flat angles C4'-P-C4' energy: -65.685 flat angles P-C4'-P energy: -41.772 tors. eta vs tors. theta energy: -47.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -757.258814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.258814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.258814 (E_RNA) where: Base-Base interactions energy: -499.213 where: short stacking energy: -233.737 Base-Backbone interact. energy: 0.805 local terms energy: -258.850936 where: bonds (distance) C4'-P energy: -51.525 bonds (distance) P-C4' energy: -63.514 flat angles C4'-P-C4' energy: -58.392 flat angles P-C4'-P energy: -40.241 tors. eta vs tors. theta energy: -45.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -506.379616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.379616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.379616 (E_RNA) where: Base-Base interactions energy: -295.730 where: short stacking energy: -188.242 Base-Backbone interact. energy: -0.404 local terms energy: -210.245453 where: bonds (distance) C4'-P energy: -62.472 bonds (distance) P-C4' energy: -46.400 flat angles C4'-P-C4' energy: -43.631 flat angles P-C4'-P energy: -36.378 tors. eta vs tors. theta energy: -21.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -492.880248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.880248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.880248 (E_RNA) where: Base-Base interactions energy: -273.027 where: short stacking energy: -159.956 Base-Backbone interact. energy: 0.036 local terms energy: -219.888750 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -52.672 flat angles C4'-P-C4' energy: -52.855 flat angles P-C4'-P energy: -29.433 tors. eta vs tors. theta energy: -22.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1129.840690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.840690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.840690 (E_RNA) where: Base-Base interactions energy: -783.892 where: short stacking energy: -337.979 Base-Backbone interact. energy: -0.092 local terms energy: -345.856692 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -69.698 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -44.776 tors. eta vs tors. theta energy: -81.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1107.478180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.478180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.478180 (E_RNA) where: Base-Base interactions energy: -756.410 where: short stacking energy: -309.524 Base-Backbone interact. energy: -0.821 local terms energy: -350.247718 where: bonds (distance) C4'-P energy: -72.915 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: -76.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1125.218439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.218439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.218439 (E_RNA) where: Base-Base interactions energy: -783.584 where: short stacking energy: -339.070 Base-Backbone interact. energy: -1.125 local terms energy: -340.508734 where: bonds (distance) C4'-P energy: -57.842 bonds (distance) P-C4' energy: -57.912 flat angles C4'-P-C4' energy: -77.423 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -99.545 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: 6 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1026.879799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.879799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.879799 (E_RNA) where: Base-Base interactions energy: -696.046 where: short stacking energy: -321.088 Base-Backbone interact. energy: 0.018 local terms energy: -330.851715 where: bonds (distance) C4'-P energy: -64.093 bonds (distance) P-C4' energy: -73.577 flat angles C4'-P-C4' energy: -64.432 flat angles P-C4'-P energy: -51.986 tors. eta vs tors. theta energy: -76.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -913.543002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.543002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.543002 (E_RNA) where: Base-Base interactions energy: -613.084 where: short stacking energy: -253.517 Base-Backbone interact. energy: -0.078 local terms energy: -300.380338 where: bonds (distance) C4'-P energy: -55.451 bonds (distance) P-C4' energy: -66.377 flat angles C4'-P-C4' energy: -72.168 flat angles P-C4'-P energy: -44.046 tors. eta vs tors. theta energy: -62.339 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: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -895.092541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.092541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.092541 (E_RNA) where: Base-Base interactions energy: -603.794 where: short stacking energy: -245.881 Base-Backbone interact. energy: 2.141 local terms energy: -293.439499 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -74.058 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -44.341 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: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -768.121974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.121974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.121974 (E_RNA) where: Base-Base interactions energy: -501.657 where: short stacking energy: -230.722 Base-Backbone interact. energy: 4.752 local terms energy: -271.216956 where: bonds (distance) C4'-P energy: -59.137 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -59.963 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -45.397 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: 7 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -792.570756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.570756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.570756 (E_RNA) where: Base-Base interactions energy: -540.049 where: short stacking energy: -226.776 Base-Backbone interact. energy: -0.061 local terms energy: -252.461429 where: bonds (distance) C4'-P energy: -44.388 bonds (distance) P-C4' energy: -65.197 flat angles C4'-P-C4' energy: -61.492 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -44.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -520.162934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.162934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.162934 (E_RNA) where: Base-Base interactions energy: -312.546 where: short stacking energy: -147.296 Base-Backbone interact. energy: 1.237 local terms energy: -208.853713 where: bonds (distance) C4'-P energy: -57.456 bonds (distance) P-C4' energy: -50.306 flat angles C4'-P-C4' energy: -40.039 flat angles P-C4'-P energy: -41.155 tors. eta vs tors. theta energy: -19.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -477.159875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.159875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.159875 (E_RNA) where: Base-Base interactions energy: -277.306 where: short stacking energy: -136.089 Base-Backbone interact. energy: 0.974 local terms energy: -200.827867 where: bonds (distance) C4'-P energy: -56.895 bonds (distance) P-C4' energy: -67.029 flat angles C4'-P-C4' energy: -52.707 flat angles P-C4'-P energy: -17.898 tors. eta vs tors. theta energy: -6.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1142.793041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.793041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.793041 (E_RNA) where: Base-Base interactions energy: -768.830 where: short stacking energy: -340.935 Base-Backbone interact. energy: -1.134 local terms energy: -372.829402 where: bonds (distance) C4'-P energy: -76.759 bonds (distance) P-C4' energy: -76.025 flat angles C4'-P-C4' energy: -76.155 flat angles P-C4'-P energy: -55.887 tors. eta vs tors. theta energy: -88.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1121.733972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.733972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.733972 (E_RNA) where: Base-Base interactions energy: -770.809 where: short stacking energy: -331.674 Base-Backbone interact. energy: -2.239 local terms energy: -348.686004 where: bonds (distance) C4'-P energy: -68.401 bonds (distance) P-C4' energy: -71.346 flat angles C4'-P-C4' energy: -75.235 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -82.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1153.259232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.259232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.259232 (E_RNA) where: Base-Base interactions energy: -809.259 where: short stacking energy: -344.474 Base-Backbone interact. energy: -0.609 local terms energy: -343.390860 where: bonds (distance) C4'-P energy: -57.343 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -47.825 tors. eta vs tors. theta energy: -100.363 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: 4, replica: 6 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1015.359822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.359822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.359822 (E_RNA) where: Base-Base interactions energy: -691.236 where: short stacking energy: -300.624 Base-Backbone interact. energy: -2.180 local terms energy: -321.943761 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -72.685 flat angles C4'-P-C4' energy: -63.146 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: -79.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -924.202088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.202088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.202088 (E_RNA) where: Base-Base interactions energy: -611.137 where: short stacking energy: -270.127 Base-Backbone interact. energy: -0.808 local terms energy: -312.257027 where: bonds (distance) C4'-P energy: -69.999 bonds (distance) P-C4' energy: -67.664 flat angles C4'-P-C4' energy: -72.902 flat angles P-C4'-P energy: -44.525 tors. eta vs tors. theta energy: -57.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -884.628910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.628910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.628910 (E_RNA) where: Base-Base interactions energy: -593.161 where: short stacking energy: -242.065 Base-Backbone interact. energy: -3.646 local terms energy: -287.822140 where: bonds (distance) C4'-P energy: -56.814 bonds (distance) P-C4' energy: -68.575 flat angles C4'-P-C4' energy: -66.141 flat angles P-C4'-P energy: -45.882 tors. eta vs tors. theta energy: -50.410 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: 2 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -732.362527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.362527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.362527 (E_RNA) where: Base-Base interactions energy: -465.925 where: short stacking energy: -210.782 Base-Backbone interact. energy: -0.681 local terms energy: -265.757020 where: bonds (distance) C4'-P energy: -59.438 bonds (distance) P-C4' energy: -69.055 flat angles C4'-P-C4' energy: -63.546 flat angles P-C4'-P energy: -35.836 tors. eta vs tors. theta energy: -37.882 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: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -763.851710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.851710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.851710 (E_RNA) where: Base-Base interactions energy: -515.048 where: short stacking energy: -226.670 Base-Backbone interact. energy: -1.090 local terms energy: -247.713751 where: bonds (distance) C4'-P energy: -60.680 bonds (distance) P-C4' energy: -47.918 flat angles C4'-P-C4' energy: -64.069 flat angles P-C4'-P energy: -39.989 tors. eta vs tors. theta energy: -35.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -547.930113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.930113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.930113 (E_RNA) where: Base-Base interactions energy: -312.169 where: short stacking energy: -161.305 Base-Backbone interact. energy: -1.852 local terms energy: -233.909268 where: bonds (distance) C4'-P energy: -51.615 bonds (distance) P-C4' energy: -58.080 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -37.505 tors. eta vs tors. theta energy: -26.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -477.850406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.850406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.850406 (E_RNA) where: Base-Base interactions energy: -268.955 where: short stacking energy: -130.374 Base-Backbone interact. energy: -0.824 local terms energy: -208.071243 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -58.365 flat angles C4'-P-C4' energy: -43.508 flat angles P-C4'-P energy: -32.348 tors. eta vs tors. theta energy: -14.904 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: 5 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1150.701809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.701809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.701809 (E_RNA) where: Base-Base interactions energy: -792.771 where: short stacking energy: -347.748 Base-Backbone interact. energy: -2.291 local terms energy: -355.640759 where: bonds (distance) C4'-P energy: -70.335 bonds (distance) P-C4' energy: -73.978 flat angles C4'-P-C4' energy: -79.233 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -87.936 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1193.948545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.948545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.948545 (E_RNA) where: Base-Base interactions energy: -835.937 where: short stacking energy: -363.198 Base-Backbone interact. energy: -1.778 local terms energy: -356.233651 where: bonds (distance) C4'-P energy: -66.491 bonds (distance) P-C4' energy: -64.111 flat angles C4'-P-C4' energy: -77.975 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -101.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1079.892020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.892020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.892020 (E_RNA) where: Base-Base interactions energy: -741.014 where: short stacking energy: -319.533 Base-Backbone interact. energy: 1.104 local terms energy: -339.982396 where: bonds (distance) C4'-P energy: -59.780 bonds (distance) P-C4' energy: -74.332 flat angles C4'-P-C4' energy: -76.647 flat angles P-C4'-P energy: -48.489 tors. eta vs tors. theta energy: -80.735 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: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1032.727823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.727823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.727823 (E_RNA) where: Base-Base interactions energy: -704.531 where: short stacking energy: -314.351 Base-Backbone interact. energy: -0.146 local terms energy: -328.051317 where: bonds (distance) C4'-P energy: -67.903 bonds (distance) P-C4' energy: -67.134 flat angles C4'-P-C4' energy: -70.036 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -84.920 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: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -956.048257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.048257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.048257 (E_RNA) where: Base-Base interactions energy: -656.802 where: short stacking energy: -278.612 Base-Backbone interact. energy: 1.093 local terms energy: -300.338992 where: bonds (distance) C4'-P energy: -61.466 bonds (distance) P-C4' energy: -62.061 flat angles C4'-P-C4' energy: -66.064 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -65.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -871.391388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.391388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.391388 (E_RNA) where: Base-Base interactions energy: -603.547 where: short stacking energy: -253.801 Base-Backbone interact. energy: 1.554 local terms energy: -269.398534 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -63.065 flat angles C4'-P-C4' energy: -55.434 flat angles P-C4'-P energy: -35.141 tors. eta vs tors. theta energy: -57.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -774.629168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.629168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.629168 (E_RNA) where: Base-Base interactions energy: -522.258 where: short stacking energy: -221.939 Base-Backbone interact. energy: -0.233 local terms energy: -252.138609 where: bonds (distance) C4'-P energy: -57.157 bonds (distance) P-C4' energy: -62.614 flat angles C4'-P-C4' energy: -60.161 flat angles P-C4'-P energy: -30.158 tors. eta vs tors. theta energy: -42.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -792.259525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.259525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.259525 (E_RNA) where: Base-Base interactions energy: -535.321 where: short stacking energy: -238.570 Base-Backbone interact. energy: 0.677 local terms energy: -257.615105 where: bonds (distance) C4'-P energy: -54.380 bonds (distance) P-C4' energy: -43.587 flat angles C4'-P-C4' energy: -66.070 flat angles P-C4'-P energy: -37.538 tors. eta vs tors. theta energy: -56.041 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: 1 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -562.143535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.143535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.143535 (E_RNA) where: Base-Base interactions energy: -318.961 where: short stacking energy: -171.920 Base-Backbone interact. energy: 0.571 local terms energy: -243.754143 where: bonds (distance) C4'-P energy: -53.111 bonds (distance) P-C4' energy: -68.005 flat angles C4'-P-C4' energy: -58.499 flat angles P-C4'-P energy: -35.339 tors. eta vs tors. theta energy: -28.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -434.339789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.339789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.339789 (E_RNA) where: Base-Base interactions energy: -232.352 where: short stacking energy: -118.128 Base-Backbone interact. energy: -0.283 local terms energy: -201.704448 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -58.659 flat angles C4'-P-C4' energy: -42.127 flat angles P-C4'-P energy: -28.669 tors. eta vs tors. theta energy: -14.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1236.095657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.095657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.095657 (E_RNA) where: Base-Base interactions energy: -859.524 where: short stacking energy: -367.924 Base-Backbone interact. energy: -1.284 local terms energy: -375.287443 where: bonds (distance) C4'-P energy: -72.265 bonds (distance) P-C4' energy: -63.863 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -59.677 tors. eta vs tors. theta energy: -104.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1137.699984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.699984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.699984 (E_RNA) where: Base-Base interactions energy: -782.632 where: short stacking energy: -338.308 Base-Backbone interact. energy: -1.987 local terms energy: -353.080922 where: bonds (distance) C4'-P energy: -67.232 bonds (distance) P-C4' energy: -72.744 flat angles C4'-P-C4' energy: -76.190 flat angles P-C4'-P energy: -44.618 tors. eta vs tors. theta energy: -92.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1066.398548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.398548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.398548 (E_RNA) where: Base-Base interactions energy: -739.264 where: short stacking energy: -329.159 Base-Backbone interact. energy: 0.558 local terms energy: -327.693415 where: bonds (distance) C4'-P energy: -58.798 bonds (distance) P-C4' energy: -68.172 flat angles C4'-P-C4' energy: -78.430 flat angles P-C4'-P energy: -48.099 tors. eta vs tors. theta energy: -74.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1011.699294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.699294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.699294 (E_RNA) where: Base-Base interactions energy: -704.578 where: short stacking energy: -293.721 Base-Backbone interact. energy: -0.252 local terms energy: -306.869964 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -66.108 flat angles C4'-P-C4' energy: -73.344 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: -63.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -946.488991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.488991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.488991 (E_RNA) where: Base-Base interactions energy: -641.808 where: short stacking energy: -278.713 Base-Backbone interact. energy: -1.966 local terms energy: -302.714996 where: bonds (distance) C4'-P energy: -60.287 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -70.058 flat angles P-C4'-P energy: -40.653 tors. eta vs tors. theta energy: -66.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -896.703026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.703026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.703026 (E_RNA) where: Base-Base interactions energy: -597.638 where: short stacking energy: -254.331 Base-Backbone interact. energy: -4.923 local terms energy: -294.141639 where: bonds (distance) C4'-P energy: -69.605 bonds (distance) P-C4' energy: -59.467 flat angles C4'-P-C4' energy: -64.882 flat angles P-C4'-P energy: -37.947 tors. eta vs tors. theta energy: -62.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -809.006071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.006071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.006071 (E_RNA) where: Base-Base interactions energy: -528.023 where: short stacking energy: -243.366 Base-Backbone interact. energy: -2.580 local terms energy: -278.402914 where: bonds (distance) C4'-P energy: -54.529 bonds (distance) P-C4' energy: -58.571 flat angles C4'-P-C4' energy: -71.049 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -57.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -799.179736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.179736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.179736 (E_RNA) where: Base-Base interactions energy: -507.075 where: short stacking energy: -220.173 Base-Backbone interact. energy: 0.219 local terms energy: -292.324608 where: bonds (distance) C4'-P energy: -61.142 bonds (distance) P-C4' energy: -59.380 flat angles C4'-P-C4' energy: -69.505 flat angles P-C4'-P energy: -50.748 tors. eta vs tors. theta energy: -51.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -561.517159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.517159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.517159 (E_RNA) where: Base-Base interactions energy: -333.715 where: short stacking energy: -150.093 Base-Backbone interact. energy: 0.238 local terms energy: -228.040350 where: bonds (distance) C4'-P energy: -52.040 bonds (distance) P-C4' energy: -67.297 flat angles C4'-P-C4' energy: -54.921 flat angles P-C4'-P energy: -36.946 tors. eta vs tors. theta energy: -16.836 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: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -431.667342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.667342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.667342 (E_RNA) where: Base-Base interactions energy: -235.248 where: short stacking energy: -128.028 Base-Backbone interact. energy: -1.167 local terms energy: -195.251788 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -57.247 flat angles C4'-P-C4' energy: -62.546 flat angles P-C4'-P energy: -19.814 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1213.247930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.247930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.247930 (E_RNA) where: Base-Base interactions energy: -838.400 where: short stacking energy: -356.846 Base-Backbone interact. energy: 1.769 local terms energy: -376.617394 where: bonds (distance) C4'-P energy: -77.070 bonds (distance) P-C4' energy: -67.966 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -60.951 tors. eta vs tors. theta energy: -99.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1124.519148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.519148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.519148 (E_RNA) where: Base-Base interactions energy: -780.400 where: short stacking energy: -330.316 Base-Backbone interact. energy: -2.026 local terms energy: -342.093751 where: bonds (distance) C4'-P energy: -65.791 bonds (distance) P-C4' energy: -61.909 flat angles C4'-P-C4' energy: -73.615 flat angles P-C4'-P energy: -52.267 tors. eta vs tors. theta energy: -88.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1089.563573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.563573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.563573 (E_RNA) where: Base-Base interactions energy: -744.221 where: short stacking energy: -308.971 Base-Backbone interact. energy: -0.869 local terms energy: -344.473619 where: bonds (distance) C4'-P energy: -71.576 bonds (distance) P-C4' energy: -66.398 flat angles C4'-P-C4' energy: -83.530 flat angles P-C4'-P energy: -42.710 tors. eta vs tors. theta energy: -80.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1023.773956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.773956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.773956 (E_RNA) where: Base-Base interactions energy: -695.222 where: short stacking energy: -292.370 Base-Backbone interact. energy: 2.310 local terms energy: -330.861805 where: bonds (distance) C4'-P energy: -60.772 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -78.922 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: -76.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -914.520350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.520350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.520350 (E_RNA) where: Base-Base interactions energy: -628.943 where: short stacking energy: -258.368 Base-Backbone interact. energy: -0.684 local terms energy: -284.893318 where: bonds (distance) C4'-P energy: -51.081 bonds (distance) P-C4' energy: -67.792 flat angles C4'-P-C4' energy: -67.027 flat angles P-C4'-P energy: -38.854 tors. eta vs tors. theta energy: -60.139 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: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -897.906530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.906530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.906530 (E_RNA) where: Base-Base interactions energy: -603.065 where: short stacking energy: -284.042 Base-Backbone interact. energy: 0.095 local terms energy: -294.936196 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -63.664 flat angles P-C4'-P energy: -40.501 tors. eta vs tors. theta energy: -70.773 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: 7, replica: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -749.861912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.861912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.861912 (E_RNA) where: Base-Base interactions energy: -461.029 where: short stacking energy: -236.517 Base-Backbone interact. energy: -1.319 local terms energy: -287.514140 where: bonds (distance) C4'-P energy: -55.682 bonds (distance) P-C4' energy: -71.143 flat angles C4'-P-C4' energy: -73.538 flat angles P-C4'-P energy: -35.422 tors. eta vs tors. theta energy: -51.730 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: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -806.114767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.114767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.114767 (E_RNA) where: Base-Base interactions energy: -543.351 where: short stacking energy: -260.926 Base-Backbone interact. energy: -1.728 local terms energy: -261.035512 where: bonds (distance) C4'-P energy: -43.830 bonds (distance) P-C4' energy: -63.408 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -37.566 tors. eta vs tors. theta energy: -55.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -525.907264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.907264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.907264 (E_RNA) where: Base-Base interactions energy: -286.580 where: short stacking energy: -160.543 Base-Backbone interact. energy: 0.556 local terms energy: -239.882907 where: bonds (distance) C4'-P energy: -61.780 bonds (distance) P-C4' energy: -51.514 flat angles C4'-P-C4' energy: -58.688 flat angles P-C4'-P energy: -41.635 tors. eta vs tors. theta energy: -26.267 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: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -421.106450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.106450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.106450 (E_RNA) where: Base-Base interactions energy: -220.011 where: short stacking energy: -123.693 Base-Backbone interact. energy: 3.200 local terms energy: -204.296178 where: bonds (distance) C4'-P energy: -53.851 bonds (distance) P-C4' energy: -62.154 flat angles C4'-P-C4' energy: -52.259 flat angles P-C4'-P energy: -25.816 tors. eta vs tors. theta energy: -10.216 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: 32 Temperature: 0.900000 Total energy: -1214.664731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.664731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.664731 (E_RNA) where: Base-Base interactions energy: -848.021 where: short stacking energy: -361.762 Base-Backbone interact. energy: -1.477 local terms energy: -365.166711 where: bonds (distance) C4'-P energy: -64.700 bonds (distance) P-C4' energy: -74.732 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -57.709 tors. eta vs tors. theta energy: -99.798 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: 2, replica: 5 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1121.225074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.225074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.225074 (E_RNA) where: Base-Base interactions energy: -767.669 where: short stacking energy: -329.464 Base-Backbone interact. energy: -1.277 local terms energy: -352.279656 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -75.288 flat angles P-C4'-P energy: -46.591 tors. eta vs tors. theta energy: -80.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1090.101163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.101163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.101163 (E_RNA) where: Base-Base interactions energy: -766.850 where: short stacking energy: -321.083 Base-Backbone interact. energy: -1.293 local terms energy: -321.958359 where: bonds (distance) C4'-P energy: -52.312 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -77.277 flat angles P-C4'-P energy: -50.252 tors. eta vs tors. theta energy: -75.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1015.258736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.258736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.258736 (E_RNA) where: Base-Base interactions energy: -672.774 where: short stacking energy: -283.393 Base-Backbone interact. energy: 1.421 local terms energy: -343.905254 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -74.049 flat angles C4'-P-C4' energy: -72.083 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: -73.712 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: 8 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -931.248238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.248238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.248238 (E_RNA) where: Base-Base interactions energy: -641.514 where: short stacking energy: -282.627 Base-Backbone interact. energy: 4.122 local terms energy: -293.856384 where: bonds (distance) C4'-P energy: -60.295 bonds (distance) P-C4' energy: -56.666 flat angles C4'-P-C4' energy: -64.184 flat angles P-C4'-P energy: -45.005 tors. eta vs tors. theta energy: -67.707 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: 9 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -900.026047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.026047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.026047 (E_RNA) where: Base-Base interactions energy: -611.357 where: short stacking energy: -265.848 Base-Backbone interact. energy: -0.286 local terms energy: -288.383129 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -60.912 flat angles C4'-P-C4' energy: -67.118 flat angles P-C4'-P energy: -35.546 tors. eta vs tors. theta energy: -63.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -759.780263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.780263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.780263 (E_RNA) where: Base-Base interactions energy: -488.875 where: short stacking energy: -218.138 Base-Backbone interact. energy: 0.169 local terms energy: -271.074643 where: bonds (distance) C4'-P energy: -58.336 bonds (distance) P-C4' energy: -63.413 flat angles C4'-P-C4' energy: -60.889 flat angles P-C4'-P energy: -37.500 tors. eta vs tors. theta energy: -50.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -800.129772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.129772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.129772 (E_RNA) where: Base-Base interactions energy: -527.970 where: short stacking energy: -244.973 Base-Backbone interact. energy: -1.519 local terms energy: -270.640891 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -45.415 tors. eta vs tors. theta energy: -55.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -523.499400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.499400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.499400 (E_RNA) where: Base-Base interactions energy: -307.216 where: short stacking energy: -160.840 Base-Backbone interact. energy: 4.792 local terms energy: -221.075124 where: bonds (distance) C4'-P energy: -43.113 bonds (distance) P-C4' energy: -51.744 flat angles C4'-P-C4' energy: -64.273 flat angles P-C4'-P energy: -39.456 tors. eta vs tors. theta energy: -22.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -415.183004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.183004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.183004 (E_RNA) where: Base-Base interactions energy: -218.343 where: short stacking energy: -123.291 Base-Backbone interact. energy: -0.699 local terms energy: -196.141590 where: bonds (distance) C4'-P energy: -58.508 bonds (distance) P-C4' energy: -50.403 flat angles C4'-P-C4' energy: -50.649 flat angles P-C4'-P energy: -34.637 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1209.399651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.399651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.399651 (E_RNA) where: Base-Base interactions energy: -849.866 where: short stacking energy: -353.426 Base-Backbone interact. energy: -0.226 local terms energy: -359.307557 where: bonds (distance) C4'-P energy: -63.773 bonds (distance) P-C4' energy: -66.915 flat angles C4'-P-C4' energy: -74.456 flat angles P-C4'-P energy: -56.061 tors. eta vs tors. theta energy: -98.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1139.345334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.345334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.345334 (E_RNA) where: Base-Base interactions energy: -795.975 where: short stacking energy: -333.267 Base-Backbone interact. energy: -1.504 local terms energy: -341.866095 where: bonds (distance) C4'-P energy: -68.176 bonds (distance) P-C4' energy: -71.973 flat angles C4'-P-C4' energy: -78.399 flat angles P-C4'-P energy: -40.779 tors. eta vs tors. theta energy: -82.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1099.959789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.959789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.959789 (E_RNA) where: Base-Base interactions energy: -746.672 where: short stacking energy: -308.571 Base-Backbone interact. energy: -4.149 local terms energy: -349.139034 where: bonds (distance) C4'-P energy: -68.945 bonds (distance) P-C4' energy: -66.945 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -57.508 tors. eta vs tors. theta energy: -79.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1028.205147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.205147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.205147 (E_RNA) where: Base-Base interactions energy: -709.468 where: short stacking energy: -285.495 Base-Backbone interact. energy: 0.463 local terms energy: -319.200181 where: bonds (distance) C4'-P energy: -61.029 bonds (distance) P-C4' energy: -66.414 flat angles C4'-P-C4' energy: -77.087 flat angles P-C4'-P energy: -39.376 tors. eta vs tors. theta energy: -75.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -941.986966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.986966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.986966 (E_RNA) where: Base-Base interactions energy: -624.070 where: short stacking energy: -266.298 Base-Backbone interact. energy: 0.070 local terms energy: -317.987527 where: bonds (distance) C4'-P energy: -53.717 bonds (distance) P-C4' energy: -68.353 flat angles C4'-P-C4' energy: -80.806 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -70.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -882.764619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.764619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.764619 (E_RNA) where: Base-Base interactions energy: -594.779 where: short stacking energy: -280.602 Base-Backbone interact. energy: -2.863 local terms energy: -285.122552 where: bonds (distance) C4'-P energy: -56.925 bonds (distance) P-C4' energy: -57.536 flat angles C4'-P-C4' energy: -63.236 flat angles P-C4'-P energy: -46.237 tors. eta vs tors. theta energy: -61.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -829.871022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.871022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.871022 (E_RNA) where: Base-Base interactions energy: -562.794 where: short stacking energy: -241.753 Base-Backbone interact. energy: -0.173 local terms energy: -266.904021 where: bonds (distance) C4'-P energy: -49.588 bonds (distance) P-C4' energy: -56.080 flat angles C4'-P-C4' energy: -62.826 flat angles P-C4'-P energy: -39.422 tors. eta vs tors. theta energy: -58.988 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: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -809.058456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.058456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.058456 (E_RNA) where: Base-Base interactions energy: -547.201 where: short stacking energy: -216.968 Base-Backbone interact. energy: 1.040 local terms energy: -262.897799 where: bonds (distance) C4'-P energy: -57.478 bonds (distance) P-C4' energy: -65.326 flat angles C4'-P-C4' energy: -55.664 flat angles P-C4'-P energy: -42.518 tors. eta vs tors. theta energy: -41.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -530.135831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.135831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.135831 (E_RNA) where: Base-Base interactions energy: -309.269 where: short stacking energy: -173.101 Base-Backbone interact. energy: 0.350 local terms energy: -221.216130 where: bonds (distance) C4'-P energy: -60.511 bonds (distance) P-C4' energy: -52.742 flat angles C4'-P-C4' energy: -58.630 flat angles P-C4'-P energy: -25.899 tors. eta vs tors. theta energy: -23.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -443.799673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.799673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.799673 (E_RNA) where: Base-Base interactions energy: -231.690 where: short stacking energy: -133.815 Base-Backbone interact. energy: -0.642 local terms energy: -211.468016 where: bonds (distance) C4'-P energy: -60.417 bonds (distance) P-C4' energy: -51.364 flat angles C4'-P-C4' energy: -53.443 flat angles P-C4'-P energy: -37.436 tors. eta vs tors. theta energy: -8.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1216.789362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.789362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.789362 (E_RNA) where: Base-Base interactions energy: -838.413 where: short stacking energy: -355.545 Base-Backbone interact. energy: -1.137 local terms energy: -377.239800 where: bonds (distance) C4'-P energy: -75.598 bonds (distance) P-C4' energy: -72.274 flat angles C4'-P-C4' energy: -77.910 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -97.435 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: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1136.396485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.396485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.396485 (E_RNA) where: Base-Base interactions energy: -793.819 where: short stacking energy: -341.194 Base-Backbone interact. energy: -1.261 local terms energy: -341.315944 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -71.486 flat angles C4'-P-C4' energy: -80.746 flat angles P-C4'-P energy: -32.293 tors. eta vs tors. theta energy: -90.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1100.804857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.804857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.804857 (E_RNA) where: Base-Base interactions energy: -752.990 where: short stacking energy: -325.270 Base-Backbone interact. energy: -2.184 local terms energy: -345.630271 where: bonds (distance) C4'-P energy: -57.223 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -81.416 flat angles P-C4'-P energy: -48.182 tors. eta vs tors. theta energy: -88.022 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: 34 Temperature: 1.050000 Total energy: -1031.791997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.791997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.791997 (E_RNA) where: Base-Base interactions energy: -699.354 where: short stacking energy: -303.720 Base-Backbone interact. energy: 2.480 local terms energy: -334.918369 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -71.318 flat angles C4'-P-C4' energy: -78.582 flat angles P-C4'-P energy: -37.996 tors. eta vs tors. theta energy: -74.426 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: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -955.271358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.271358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.271358 (E_RNA) where: Base-Base interactions energy: -642.779 where: short stacking energy: -290.586 Base-Backbone interact. energy: -2.960 local terms energy: -309.531767 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -66.169 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -41.765 tors. eta vs tors. theta energy: -70.085 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: 6, replica: 9 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -889.416451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.416451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.416451 (E_RNA) where: Base-Base interactions energy: -579.113 where: short stacking energy: -261.888 Base-Backbone interact. energy: -3.030 local terms energy: -307.272797 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -68.859 flat angles C4'-P-C4' energy: -71.438 flat angles P-C4'-P energy: -50.321 tors. eta vs tors. theta energy: -59.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -862.672653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.672653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.672653 (E_RNA) where: Base-Base interactions energy: -584.272 where: short stacking energy: -265.608 Base-Backbone interact. energy: 1.515 local terms energy: -279.915788 where: bonds (distance) C4'-P energy: -46.029 bonds (distance) P-C4' energy: -65.447 flat angles C4'-P-C4' energy: -68.375 flat angles P-C4'-P energy: -40.814 tors. eta vs tors. theta energy: -59.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -761.206288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.206288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.206288 (E_RNA) where: Base-Base interactions energy: -525.028 where: short stacking energy: -234.921 Base-Backbone interact. energy: -1.233 local terms energy: -234.945585 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -45.005 flat angles C4'-P-C4' energy: -46.124 flat angles P-C4'-P energy: -35.746 tors. eta vs tors. theta energy: -49.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -524.207230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.207230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.207230 (E_RNA) where: Base-Base interactions energy: -320.578 where: short stacking energy: -167.941 Base-Backbone interact. energy: -1.324 local terms energy: -202.305218 where: bonds (distance) C4'-P energy: -64.153 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -46.681 flat angles P-C4'-P energy: -26.947 tors. eta vs tors. theta energy: -10.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -447.094861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.094861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.094861 (E_RNA) where: Base-Base interactions energy: -236.290 where: short stacking energy: -138.416 Base-Backbone interact. energy: -0.433 local terms energy: -210.372575 where: bonds (distance) C4'-P energy: -61.025 bonds (distance) P-C4' energy: -75.045 flat angles C4'-P-C4' energy: -50.197 flat angles P-C4'-P energy: -19.186 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1229.765690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.765690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.765690 (E_RNA) where: Base-Base interactions energy: -847.574 where: short stacking energy: -375.789 Base-Backbone interact. energy: -0.696 local terms energy: -381.496458 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -83.993 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -101.812 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: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1154.610903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.610903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.610903 (E_RNA) where: Base-Base interactions energy: -797.317 where: short stacking energy: -326.661 Base-Backbone interact. energy: -1.982 local terms energy: -355.311825 where: bonds (distance) C4'-P energy: -71.795 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -84.448 flat angles P-C4'-P energy: -49.504 tors. eta vs tors. theta energy: -76.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1096.745290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.745290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.745290 (E_RNA) where: Base-Base interactions energy: -753.787 where: short stacking energy: -321.063 Base-Backbone interact. energy: -2.301 local terms energy: -340.657620 where: bonds (distance) C4'-P energy: -65.981 bonds (distance) P-C4' energy: -67.350 flat angles C4'-P-C4' energy: -73.274 flat angles P-C4'-P energy: -55.305 tors. eta vs tors. theta energy: -78.749 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: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1030.503204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.503204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.503204 (E_RNA) where: Base-Base interactions energy: -723.891 where: short stacking energy: -321.860 Base-Backbone interact. energy: -2.210 local terms energy: -304.402076 where: bonds (distance) C4'-P energy: -67.594 bonds (distance) P-C4' energy: -51.566 flat angles C4'-P-C4' energy: -68.002 flat angles P-C4'-P energy: -37.522 tors. eta vs tors. theta energy: -79.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -993.007129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.007129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.007129 (E_RNA) where: Base-Base interactions energy: -685.903 where: short stacking energy: -307.997 Base-Backbone interact. energy: -1.891 local terms energy: -305.213521 where: bonds (distance) C4'-P energy: -45.292 bonds (distance) P-C4' energy: -60.005 flat angles C4'-P-C4' energy: -78.841 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -72.325 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: 9 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -916.575610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.575610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.575610 (E_RNA) where: Base-Base interactions energy: -631.753 where: short stacking energy: -278.215 Base-Backbone interact. energy: 0.063 local terms energy: -284.885305 where: bonds (distance) C4'-P energy: -60.017 bonds (distance) P-C4' energy: -56.374 flat angles C4'-P-C4' energy: -70.102 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -54.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -819.514127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.514127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.514127 (E_RNA) where: Base-Base interactions energy: -554.413 where: short stacking energy: -246.094 Base-Backbone interact. energy: 1.184 local terms energy: -266.285292 where: bonds (distance) C4'-P energy: -58.357 bonds (distance) P-C4' energy: -47.211 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -64.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -729.557142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.557142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.557142 (E_RNA) where: Base-Base interactions energy: -489.006 where: short stacking energy: -227.311 Base-Backbone interact. energy: 0.933 local terms energy: -241.484001 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -61.028 flat angles C4'-P-C4' energy: -59.018 flat angles P-C4'-P energy: -34.179 tors. eta vs tors. theta energy: -31.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -514.904571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.904571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.904571 (E_RNA) where: Base-Base interactions energy: -309.110 where: short stacking energy: -169.177 Base-Backbone interact. energy: 0.498 local terms energy: -206.292674 where: bonds (distance) C4'-P energy: -41.599 bonds (distance) P-C4' energy: -60.268 flat angles C4'-P-C4' energy: -55.156 flat angles P-C4'-P energy: -37.386 tors. eta vs tors. theta energy: -11.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -446.057389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.057389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.057389 (E_RNA) where: Base-Base interactions energy: -232.224 where: short stacking energy: -143.165 Base-Backbone interact. energy: 0.204 local terms energy: -214.037352 where: bonds (distance) C4'-P energy: -52.585 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -51.444 flat angles P-C4'-P energy: -30.273 tors. eta vs tors. theta energy: -23.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1227.518966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.518966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.518966 (E_RNA) where: Base-Base interactions energy: -839.711 where: short stacking energy: -379.105 Base-Backbone interact. energy: -0.687 local terms energy: -387.120641 where: bonds (distance) C4'-P energy: -71.073 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -85.130 flat angles P-C4'-P energy: -58.759 tors. eta vs tors. theta energy: -100.092 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: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1147.816416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.816416 (E_RNA) where: Base-Base interactions energy: -809.266 where: short stacking energy: -344.235 Base-Backbone interact. energy: 0.660 local terms energy: -339.210698 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -61.498 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -46.719 tors. eta vs tors. theta energy: -84.526 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: 5 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1108.895396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.895396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.895396 (E_RNA) where: Base-Base interactions energy: -751.430 where: short stacking energy: -300.216 Base-Backbone interact. energy: -4.894 local terms energy: -352.571937 where: bonds (distance) C4'-P energy: -75.291 bonds (distance) P-C4' energy: -72.382 flat angles C4'-P-C4' energy: -75.534 flat angles P-C4'-P energy: -46.959 tors. eta vs tors. theta energy: -82.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1006.714505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.714505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.714505 (E_RNA) where: Base-Base interactions energy: -701.208 where: short stacking energy: -293.573 Base-Backbone interact. energy: -0.011 local terms energy: -305.495633 where: bonds (distance) C4'-P energy: -62.848 bonds (distance) P-C4' energy: -61.025 flat angles C4'-P-C4' energy: -62.483 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -67.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1046.552893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.552893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.552893 (E_RNA) where: Base-Base interactions energy: -718.287 where: short stacking energy: -315.747 Base-Backbone interact. energy: 0.592 local terms energy: -328.857878 where: bonds (distance) C4'-P energy: -65.459 bonds (distance) P-C4' energy: -60.777 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -87.236 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: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -908.287958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.287958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.287958 (E_RNA) where: Base-Base interactions energy: -636.016 where: short stacking energy: -261.913 Base-Backbone interact. energy: -0.492 local terms energy: -271.780165 where: bonds (distance) C4'-P energy: -59.780 bonds (distance) P-C4' energy: -59.204 flat angles C4'-P-C4' energy: -60.936 flat angles P-C4'-P energy: -34.882 tors. eta vs tors. theta energy: -56.979 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: 7 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -827.233464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.233464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.233464 (E_RNA) where: Base-Base interactions energy: -555.228 where: short stacking energy: -259.329 Base-Backbone interact. energy: -0.761 local terms energy: -271.244624 where: bonds (distance) C4'-P energy: -58.485 bonds (distance) P-C4' energy: -59.769 flat angles C4'-P-C4' energy: -55.666 flat angles P-C4'-P energy: -43.810 tors. eta vs tors. theta energy: -53.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -732.038725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.038725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.038725 (E_RNA) where: Base-Base interactions energy: -486.714 where: short stacking energy: -204.962 Base-Backbone interact. energy: 0.070 local terms energy: -245.395086 where: bonds (distance) C4'-P energy: -54.216 bonds (distance) P-C4' energy: -68.300 flat angles C4'-P-C4' energy: -58.906 flat angles P-C4'-P energy: -27.286 tors. eta vs tors. theta energy: -36.688 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: 1 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -496.448102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.448102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.448102 (E_RNA) where: Base-Base interactions energy: -289.530 where: short stacking energy: -156.472 Base-Backbone interact. energy: -2.075 local terms energy: -204.842466 where: bonds (distance) C4'-P energy: -48.546 bonds (distance) P-C4' energy: -59.294 flat angles C4'-P-C4' energy: -53.740 flat angles P-C4'-P energy: -23.802 tors. eta vs tors. theta energy: -19.461 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: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -452.735992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.735992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.735992 (E_RNA) where: Base-Base interactions energy: -237.101 where: short stacking energy: -134.796 Base-Backbone interact. energy: -1.361 local terms energy: -214.273425 where: bonds (distance) C4'-P energy: -67.937 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -46.894 flat angles P-C4'-P energy: -28.020 tors. eta vs tors. theta energy: -12.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1226.649238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.649238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.649238 (E_RNA) where: Base-Base interactions energy: -840.336 where: short stacking energy: -366.852 Base-Backbone interact. energy: 1.379 local terms energy: -387.692573 where: bonds (distance) C4'-P energy: -80.541 bonds (distance) P-C4' energy: -66.176 flat angles C4'-P-C4' energy: -77.209 flat angles P-C4'-P energy: -63.992 tors. eta vs tors. theta energy: -99.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1123.008779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.008779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.008779 (E_RNA) where: Base-Base interactions energy: -763.177 where: short stacking energy: -337.763 Base-Backbone interact. energy: -1.912 local terms energy: -357.920241 where: bonds (distance) C4'-P energy: -71.094 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -80.779 flat angles P-C4'-P energy: -52.200 tors. eta vs tors. theta energy: -81.613 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: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1121.713766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.713766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.713766 (E_RNA) where: Base-Base interactions energy: -779.446 where: short stacking energy: -337.102 Base-Backbone interact. energy: -0.628 local terms energy: -341.640743 where: bonds (distance) C4'-P energy: -69.559 bonds (distance) P-C4' energy: -61.396 flat angles C4'-P-C4' energy: -77.018 flat angles P-C4'-P energy: -49.389 tors. eta vs tors. theta energy: -84.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -998.004267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.004267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.004267 (E_RNA) where: Base-Base interactions energy: -687.752 where: short stacking energy: -285.900 Base-Backbone interact. energy: -0.568 local terms energy: -309.684525 where: bonds (distance) C4'-P energy: -62.598 bonds (distance) P-C4' energy: -66.161 flat angles C4'-P-C4' energy: -65.898 flat angles P-C4'-P energy: -48.049 tors. eta vs tors. theta energy: -66.978 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: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -989.748359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.748359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.748359 (E_RNA) where: Base-Base interactions energy: -662.676 where: short stacking energy: -307.574 Base-Backbone interact. energy: -0.875 local terms energy: -326.197217 where: bonds (distance) C4'-P energy: -67.195 bonds (distance) P-C4' energy: -75.939 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -48.773 tors. eta vs tors. theta energy: -76.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -926.208523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.208523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.208523 (E_RNA) where: Base-Base interactions energy: -637.609 where: short stacking energy: -288.832 Base-Backbone interact. energy: 1.344 local terms energy: -289.943733 where: bonds (distance) C4'-P energy: -64.399 bonds (distance) P-C4' energy: -52.886 flat angles C4'-P-C4' energy: -66.362 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -66.970 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: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -804.107856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.107856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.107856 (E_RNA) where: Base-Base interactions energy: -540.546 where: short stacking energy: -243.554 Base-Backbone interact. energy: 1.325 local terms energy: -264.886812 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -57.611 flat angles C4'-P-C4' energy: -53.712 flat angles P-C4'-P energy: -39.915 tors. eta vs tors. theta energy: -47.864 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: 2 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -721.254159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.254159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.254159 (E_RNA) where: Base-Base interactions energy: -491.427 where: short stacking energy: -230.278 Base-Backbone interact. energy: 0.474 local terms energy: -230.301511 where: bonds (distance) C4'-P energy: -46.122 bonds (distance) P-C4' energy: -63.139 flat angles C4'-P-C4' energy: -56.778 flat angles P-C4'-P energy: -22.512 tors. eta vs tors. theta energy: -41.750 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: 9, replica: 1 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -486.742274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.742274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.742274 (E_RNA) where: Base-Base interactions energy: -262.612 where: short stacking energy: -131.749 Base-Backbone interact. energy: -0.761 local terms energy: -223.368794 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -54.302 flat angles C4'-P-C4' energy: -57.354 flat angles P-C4'-P energy: -37.114 tors. eta vs tors. theta energy: -8.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -467.150728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.150728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.150728 (E_RNA) where: Base-Base interactions energy: -252.383 where: short stacking energy: -138.037 Base-Backbone interact. energy: 0.906 local terms energy: -215.674071 where: bonds (distance) C4'-P energy: -47.983 bonds (distance) P-C4' energy: -52.900 flat angles C4'-P-C4' energy: -55.373 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -18.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1221.068362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.068362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.068362 (E_RNA) where: Base-Base interactions energy: -844.294 where: short stacking energy: -372.121 Base-Backbone interact. energy: 2.298 local terms energy: -379.072605 where: bonds (distance) C4'-P energy: -78.045 bonds (distance) P-C4' energy: -67.341 flat angles C4'-P-C4' energy: -78.089 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -108.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1117.196548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.196548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.196548 (E_RNA) where: Base-Base interactions energy: -783.958 where: short stacking energy: -340.592 Base-Backbone interact. energy: -2.457 local terms energy: -330.781725 where: bonds (distance) C4'-P energy: -58.808 bonds (distance) P-C4' energy: -62.499 flat angles C4'-P-C4' energy: -78.159 flat angles P-C4'-P energy: -44.222 tors. eta vs tors. theta energy: -87.093 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: 3 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1118.891482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.891482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.891482 (E_RNA) where: Base-Base interactions energy: -780.226 where: short stacking energy: -337.232 Base-Backbone interact. energy: 0.926 local terms energy: -339.591697 where: bonds (distance) C4'-P energy: -59.863 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -75.055 flat angles P-C4'-P energy: -52.336 tors. eta vs tors. theta energy: -81.599 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: 38 Temperature: 1.050000 Total energy: -998.371309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.371309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.371309 (E_RNA) where: Base-Base interactions energy: -682.334 where: short stacking energy: -276.167 Base-Backbone interact. energy: 3.083 local terms energy: -319.120171 where: bonds (distance) C4'-P energy: -63.659 bonds (distance) P-C4' energy: -67.358 flat angles C4'-P-C4' energy: -73.539 flat angles P-C4'-P energy: -56.540 tors. eta vs tors. theta energy: -58.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -980.417060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.417060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.417060 (E_RNA) where: Base-Base interactions energy: -655.754 where: short stacking energy: -300.159 Base-Backbone interact. energy: -1.250 local terms energy: -323.413688 where: bonds (distance) C4'-P energy: -55.955 bonds (distance) P-C4' energy: -71.701 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -74.511 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: 9 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -883.305190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.305190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.305190 (E_RNA) where: Base-Base interactions energy: -588.728 where: short stacking energy: -268.369 Base-Backbone interact. energy: -2.158 local terms energy: -292.419312 where: bonds (distance) C4'-P energy: -61.345 bonds (distance) P-C4' energy: -72.357 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -33.497 tors. eta vs tors. theta energy: -59.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -822.395200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.395200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.395200 (E_RNA) where: Base-Base interactions energy: -551.267 where: short stacking energy: -252.399 Base-Backbone interact. energy: -0.668 local terms energy: -270.460332 where: bonds (distance) C4'-P energy: -66.693 bonds (distance) P-C4' energy: -61.186 flat angles C4'-P-C4' energy: -56.397 flat angles P-C4'-P energy: -28.528 tors. eta vs tors. theta energy: -57.657 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: 8, replica: 2 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -776.461420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.461420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.461420 (E_RNA) where: Base-Base interactions energy: -507.907 where: short stacking energy: -234.915 Base-Backbone interact. energy: -0.132 local terms energy: -268.422614 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -59.954 flat angles P-C4'-P energy: -44.963 tors. eta vs tors. theta energy: -56.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -504.615028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.615028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.615028 (E_RNA) where: Base-Base interactions energy: -275.482 where: short stacking energy: -152.734 Base-Backbone interact. energy: 0.393 local terms energy: -229.526269 where: bonds (distance) C4'-P energy: -54.800 bonds (distance) P-C4' energy: -59.616 flat angles C4'-P-C4' energy: -53.795 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -19.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -454.678807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.678807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.678807 (E_RNA) where: Base-Base interactions energy: -243.955 where: short stacking energy: -131.982 Base-Backbone interact. energy: -0.605 local terms energy: -210.118586 where: bonds (distance) C4'-P energy: -59.336 bonds (distance) P-C4' energy: -65.989 flat angles C4'-P-C4' energy: -39.048 flat angles P-C4'-P energy: -33.449 tors. eta vs tors. theta energy: -12.297 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: 39 Temperature: 0.900000 Total energy: -1243.895888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.895888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.895888 (E_RNA) where: Base-Base interactions energy: -850.212 where: short stacking energy: -374.451 Base-Backbone interact. energy: -0.851 local terms energy: -392.832101 where: bonds (distance) C4'-P energy: -76.539 bonds (distance) P-C4' energy: -70.698 flat angles C4'-P-C4' energy: -79.875 flat angles P-C4'-P energy: -55.192 tors. eta vs tors. theta energy: -110.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1112.218075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.218075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.218075 (E_RNA) where: Base-Base interactions energy: -783.336 where: short stacking energy: -335.300 Base-Backbone interact. energy: 0.445 local terms energy: -329.327221 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -65.232 flat angles C4'-P-C4' energy: -70.018 flat angles P-C4'-P energy: -38.954 tors. eta vs tors. theta energy: -86.972 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: 3 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1103.344082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.344082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.344082 (E_RNA) where: Base-Base interactions energy: -787.336 where: short stacking energy: -340.556 Base-Backbone interact. energy: 0.805 local terms energy: -316.812876 where: bonds (distance) C4'-P energy: -62.858 bonds (distance) P-C4' energy: -58.123 flat angles C4'-P-C4' energy: -71.367 flat angles P-C4'-P energy: -49.001 tors. eta vs tors. theta energy: -75.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1055.374441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.374441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.374441 (E_RNA) where: Base-Base interactions energy: -737.597 where: short stacking energy: -315.086 Base-Backbone interact. energy: 0.616 local terms energy: -318.393307 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -58.413 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -78.827 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: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -986.601145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.601145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.601145 (E_RNA) where: Base-Base interactions energy: -677.449 where: short stacking energy: -274.497 Base-Backbone interact. energy: -1.444 local terms energy: -307.708048 where: bonds (distance) C4'-P energy: -55.285 bonds (distance) P-C4' energy: -73.509 flat angles C4'-P-C4' energy: -76.328 flat angles P-C4'-P energy: -37.884 tors. eta vs tors. theta energy: -64.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -890.572865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.572865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.572865 (E_RNA) where: Base-Base interactions energy: -593.059 where: short stacking energy: -260.635 Base-Backbone interact. energy: -0.984 local terms energy: -296.529228 where: bonds (distance) C4'-P energy: -61.602 bonds (distance) P-C4' energy: -67.234 flat angles C4'-P-C4' energy: -59.681 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -62.616 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: 7 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -796.531472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.531472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.531472 (E_RNA) where: Base-Base interactions energy: -519.137 where: short stacking energy: -239.601 Base-Backbone interact. energy: 2.264 local terms energy: -279.659244 where: bonds (distance) C4'-P energy: -73.620 bonds (distance) P-C4' energy: -61.881 flat angles C4'-P-C4' energy: -55.058 flat angles P-C4'-P energy: -32.595 tors. eta vs tors. theta energy: -56.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -742.059167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.059167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.059167 (E_RNA) where: Base-Base interactions energy: -473.733 where: short stacking energy: -208.997 Base-Backbone interact. energy: -0.529 local terms energy: -267.797228 where: bonds (distance) C4'-P energy: -53.192 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -37.638 tors. eta vs tors. theta energy: -47.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -469.197492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.197492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.197492 (E_RNA) where: Base-Base interactions energy: -251.582 where: short stacking energy: -143.567 Base-Backbone interact. energy: 3.103 local terms energy: -220.718699 where: bonds (distance) C4'-P energy: -56.128 bonds (distance) P-C4' energy: -64.195 flat angles C4'-P-C4' energy: -47.404 flat angles P-C4'-P energy: -29.257 tors. eta vs tors. theta energy: -23.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -405.933908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.933908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.933908 (E_RNA) where: Base-Base interactions energy: -212.006 where: short stacking energy: -123.083 Base-Backbone interact. energy: -0.470 local terms energy: -193.457919 where: bonds (distance) C4'-P energy: -51.138 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -42.087 flat angles P-C4'-P energy: -29.455 tors. eta vs tors. theta energy: -5.081 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: 40 Temperature: 0.900000 Total energy: -1250.308574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.308574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.308574 (E_RNA) where: Base-Base interactions energy: -856.638 where: short stacking energy: -389.151 Base-Backbone interact. energy: -1.292 local terms energy: -392.378518 where: bonds (distance) C4'-P energy: -73.410 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -80.065 flat angles P-C4'-P energy: -55.090 tors. eta vs tors. theta energy: -108.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1119.745113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.745113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.745113 (E_RNA) where: Base-Base interactions energy: -764.610 where: short stacking energy: -324.976 Base-Backbone interact. energy: -0.003 local terms energy: -355.132326 where: bonds (distance) C4'-P energy: -75.474 bonds (distance) P-C4' energy: -68.150 flat angles C4'-P-C4' energy: -70.150 flat angles P-C4'-P energy: -52.000 tors. eta vs tors. theta energy: -89.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1081.700298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.700298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.700298 (E_RNA) where: Base-Base interactions energy: -742.350 where: short stacking energy: -342.575 Base-Backbone interact. energy: 0.664 local terms energy: -340.014340 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -72.907 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: -87.389 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: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1061.669059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.669059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.669059 (E_RNA) where: Base-Base interactions energy: -724.965 where: short stacking energy: -293.490 Base-Backbone interact. energy: -1.904 local terms energy: -334.800654 where: bonds (distance) C4'-P energy: -65.886 bonds (distance) P-C4' energy: -76.086 flat angles C4'-P-C4' energy: -72.580 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -72.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -973.105198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.105198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.105198 (E_RNA) where: Base-Base interactions energy: -673.379 where: short stacking energy: -272.492 Base-Backbone interact. energy: -2.790 local terms energy: -296.935288 where: bonds (distance) C4'-P energy: -58.973 bonds (distance) P-C4' energy: -69.072 flat angles C4'-P-C4' energy: -78.034 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -52.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -904.138551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.138551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.138551 (E_RNA) where: Base-Base interactions energy: -615.361 where: short stacking energy: -242.250 Base-Backbone interact. energy: -2.046 local terms energy: -286.731681 where: bonds (distance) C4'-P energy: -62.735 bonds (distance) P-C4' energy: -65.044 flat angles C4'-P-C4' energy: -56.439 flat angles P-C4'-P energy: -45.013 tors. eta vs tors. theta energy: -57.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -890.644147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.644147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.644147 (E_RNA) where: Base-Base interactions energy: -589.276 where: short stacking energy: -268.972 Base-Backbone interact. energy: -1.931 local terms energy: -299.436958 where: bonds (distance) C4'-P energy: -52.158 bonds (distance) P-C4' energy: -66.092 flat angles C4'-P-C4' energy: -71.925 flat angles P-C4'-P energy: -35.736 tors. eta vs tors. theta energy: -73.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -679.770704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.770704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.770704 (E_RNA) where: Base-Base interactions energy: -444.813 where: short stacking energy: -198.524 Base-Backbone interact. energy: -1.449 local terms energy: -233.508572 where: bonds (distance) C4'-P energy: -55.578 bonds (distance) P-C4' energy: -47.711 flat angles C4'-P-C4' energy: -56.678 flat angles P-C4'-P energy: -32.026 tors. eta vs tors. theta energy: -41.515 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: 9, replica: 1 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -483.961268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.961268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.961268 (E_RNA) where: Base-Base interactions energy: -273.201 where: short stacking energy: -153.400 Base-Backbone interact. energy: 3.368 local terms energy: -214.128768 where: bonds (distance) C4'-P energy: -53.741 bonds (distance) P-C4' energy: -59.319 flat angles C4'-P-C4' energy: -57.817 flat angles P-C4'-P energy: -32.172 tors. eta vs tors. theta energy: -11.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -406.815117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.815117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.815117 (E_RNA) where: Base-Base interactions energy: -214.253 where: short stacking energy: -120.258 Base-Backbone interact. energy: 0.014 local terms energy: -192.577001 where: bonds (distance) C4'-P energy: -45.592 bonds (distance) P-C4' energy: -65.583 flat angles C4'-P-C4' energy: -48.935 flat angles P-C4'-P energy: -33.886 tors. eta vs tors. theta energy: 1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1233.051607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.051607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.051607 (E_RNA) where: Base-Base interactions energy: -857.451 where: short stacking energy: -355.997 Base-Backbone interact. energy: -0.783 local terms energy: -374.817791 where: bonds (distance) C4'-P energy: -68.665 bonds (distance) P-C4' energy: -74.687 flat angles C4'-P-C4' energy: -77.277 flat angles P-C4'-P energy: -51.582 tors. eta vs tors. theta energy: -102.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1126.678566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.678566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.678566 (E_RNA) where: Base-Base interactions energy: -762.622 where: short stacking energy: -327.577 Base-Backbone interact. energy: -0.797 local terms energy: -363.259858 where: bonds (distance) C4'-P energy: -75.450 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -81.428 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -89.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1084.292852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.292852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.292852 (E_RNA) where: Base-Base interactions energy: -734.597 where: short stacking energy: -335.833 Base-Backbone interact. energy: -1.555 local terms energy: -348.140445 where: bonds (distance) C4'-P energy: -68.163 bonds (distance) P-C4' energy: -68.800 flat angles C4'-P-C4' energy: -71.588 flat angles P-C4'-P energy: -56.271 tors. eta vs tors. theta energy: -83.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1071.663329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.663329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.663329 (E_RNA) where: Base-Base interactions energy: -752.528 where: short stacking energy: -332.942 Base-Backbone interact. energy: -1.526 local terms energy: -317.609136 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -68.940 flat angles P-C4'-P energy: -52.475 tors. eta vs tors. theta energy: -79.018 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: 41 Temperature: 1.100000 Total energy: -981.935314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.935314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.935314 (E_RNA) where: Base-Base interactions energy: -678.282 where: short stacking energy: -270.445 Base-Backbone interact. energy: -1.194 local terms energy: -302.459671 where: bonds (distance) C4'-P energy: -65.702 bonds (distance) P-C4' energy: -70.629 flat angles C4'-P-C4' energy: -67.260 flat angles P-C4'-P energy: -47.110 tors. eta vs tors. theta energy: -51.758 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: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -952.340724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.340724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.340724 (E_RNA) where: Base-Base interactions energy: -649.984 where: short stacking energy: -275.745 Base-Backbone interact. energy: -2.305 local terms energy: -300.051346 where: bonds (distance) C4'-P energy: -46.263 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -71.255 flat angles P-C4'-P energy: -28.035 tors. eta vs tors. theta energy: -83.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -822.634753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.634753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.634753 (E_RNA) where: Base-Base interactions energy: -542.962 where: short stacking energy: -225.977 Base-Backbone interact. energy: 2.182 local terms energy: -281.854737 where: bonds (distance) C4'-P energy: -51.449 bonds (distance) P-C4' energy: -61.100 flat angles C4'-P-C4' energy: -68.184 flat angles P-C4'-P energy: -52.105 tors. eta vs tors. theta energy: -49.017 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: 8, replica: 2 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -676.265304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.265304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.265304 (E_RNA) where: Base-Base interactions energy: -426.845 where: short stacking energy: -201.917 Base-Backbone interact. energy: -2.228 local terms energy: -247.192345 where: bonds (distance) C4'-P energy: -53.559 bonds (distance) P-C4' energy: -66.918 flat angles C4'-P-C4' energy: -57.862 flat angles P-C4'-P energy: -31.152 tors. eta vs tors. theta energy: -37.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -492.882155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.882155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.882155 (E_RNA) where: Base-Base interactions energy: -274.139 where: short stacking energy: -158.353 Base-Backbone interact. energy: 2.255 local terms energy: -220.998002 where: bonds (distance) C4'-P energy: -65.558 bonds (distance) P-C4' energy: -52.948 flat angles C4'-P-C4' energy: -52.534 flat angles P-C4'-P energy: -34.042 tors. eta vs tors. theta energy: -15.915 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: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -417.851621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.851621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.851621 (E_RNA) where: Base-Base interactions energy: -220.625 where: short stacking energy: -118.332 Base-Backbone interact. energy: -0.123 local terms energy: -197.103162 where: bonds (distance) C4'-P energy: -54.794 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -48.453 flat angles P-C4'-P energy: -14.939 tors. eta vs tors. theta energy: -13.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1257.237849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.237849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.237849 (E_RNA) where: Base-Base interactions energy: -874.953 where: short stacking energy: -393.243 Base-Backbone interact. energy: -1.259 local terms energy: -381.026205 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -64.765 flat angles C4'-P-C4' energy: -82.426 flat angles P-C4'-P energy: -60.592 tors. eta vs tors. theta energy: -105.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1125.789635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.789635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.789635 (E_RNA) where: Base-Base interactions energy: -770.818 where: short stacking energy: -321.172 Base-Backbone interact. energy: -0.287 local terms energy: -354.684448 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -69.650 flat angles C4'-P-C4' energy: -79.177 flat angles P-C4'-P energy: -50.652 tors. eta vs tors. theta energy: -87.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1087.069921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.069921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.069921 (E_RNA) where: Base-Base interactions energy: -741.236 where: short stacking energy: -316.691 Base-Backbone interact. energy: -1.365 local terms energy: -344.469654 where: bonds (distance) C4'-P energy: -67.255 bonds (distance) P-C4' energy: -71.895 flat angles C4'-P-C4' energy: -71.707 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -87.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1065.078125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.078125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.078125 (E_RNA) where: Base-Base interactions energy: -742.850 where: short stacking energy: -304.147 Base-Backbone interact. energy: -0.065 local terms energy: -322.162903 where: bonds (distance) C4'-P energy: -72.452 bonds (distance) P-C4' energy: -64.855 flat angles C4'-P-C4' energy: -65.120 flat angles P-C4'-P energy: -42.048 tors. eta vs tors. theta energy: -77.689 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: 5, replica: 6 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -978.598916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.598916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.598916 (E_RNA) where: Base-Base interactions energy: -680.895 where: short stacking energy: -268.556 Base-Backbone interact. energy: -3.150 local terms energy: -294.553628 where: bonds (distance) C4'-P energy: -58.985 bonds (distance) P-C4' energy: -58.105 flat angles C4'-P-C4' energy: -73.897 flat angles P-C4'-P energy: -51.199 tors. eta vs tors. theta energy: -52.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -972.583792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.583792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.583792 (E_RNA) where: Base-Base interactions energy: -650.856 where: short stacking energy: -289.314 Base-Backbone interact. energy: -1.139 local terms energy: -320.589067 where: bonds (distance) C4'-P energy: -63.269 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -70.348 flat angles P-C4'-P energy: -32.219 tors. eta vs tors. theta energy: -82.792 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: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -817.775779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.775779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.775779 (E_RNA) where: Base-Base interactions energy: -549.312 where: short stacking energy: -237.731 Base-Backbone interact. energy: 0.392 local terms energy: -268.855245 where: bonds (distance) C4'-P energy: -64.486 bonds (distance) P-C4' energy: -53.175 flat angles C4'-P-C4' energy: -63.157 flat angles P-C4'-P energy: -41.122 tors. eta vs tors. theta energy: -46.914 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: 8, replica: 2 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -643.611846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.611846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.611846 (E_RNA) where: Base-Base interactions energy: -415.389 where: short stacking energy: -220.133 Base-Backbone interact. energy: -1.645 local terms energy: -226.577516 where: bonds (distance) C4'-P energy: -39.624 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -50.432 flat angles P-C4'-P energy: -39.467 tors. eta vs tors. theta energy: -38.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -477.918348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.918348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.918348 (E_RNA) where: Base-Base interactions energy: -254.955 where: short stacking energy: -151.909 Base-Backbone interact. energy: 0.675 local terms energy: -223.639036 where: bonds (distance) C4'-P energy: -58.859 bonds (distance) P-C4' energy: -60.722 flat angles C4'-P-C4' energy: -52.055 flat angles P-C4'-P energy: -24.835 tors. eta vs tors. theta energy: -27.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -440.100579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.100579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.100579 (E_RNA) where: Base-Base interactions energy: -220.931 where: short stacking energy: -143.890 Base-Backbone interact. energy: 1.064 local terms energy: -220.233823 where: bonds (distance) C4'-P energy: -64.189 bonds (distance) P-C4' energy: -62.610 flat angles C4'-P-C4' energy: -53.857 flat angles P-C4'-P energy: -20.124 tors. eta vs tors. theta energy: -19.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1240.928771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.928771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.928771 (E_RNA) where: Base-Base interactions energy: -844.846 where: short stacking energy: -379.179 Base-Backbone interact. energy: -1.217 local terms energy: -394.865319 where: bonds (distance) C4'-P energy: -68.214 bonds (distance) P-C4' energy: -76.396 flat angles C4'-P-C4' energy: -78.842 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -111.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1137.162686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.162686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.162686 (E_RNA) where: Base-Base interactions energy: -756.962 where: short stacking energy: -352.276 Base-Backbone interact. energy: -0.827 local terms energy: -379.373291 where: bonds (distance) C4'-P energy: -67.754 bonds (distance) P-C4' energy: -76.724 flat angles C4'-P-C4' energy: -76.443 flat angles P-C4'-P energy: -62.828 tors. eta vs tors. theta energy: -95.624 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: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1117.031308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.031308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.031308 (E_RNA) where: Base-Base interactions energy: -787.059 where: short stacking energy: -333.997 Base-Backbone interact. energy: -1.429 local terms energy: -328.543148 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -61.703 flat angles C4'-P-C4' energy: -76.155 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -89.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -996.084688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.084688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.084688 (E_RNA) where: Base-Base interactions energy: -677.831 where: short stacking energy: -312.701 Base-Backbone interact. energy: -0.276 local terms energy: -317.977254 where: bonds (distance) C4'-P energy: -63.278 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -45.231 tors. eta vs tors. theta energy: -79.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -968.141870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.141870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.141870 (E_RNA) where: Base-Base interactions energy: -673.730 where: short stacking energy: -276.009 Base-Backbone interact. energy: -0.590 local terms energy: -293.821890 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -62.479 flat angles C4'-P-C4' energy: -67.329 flat angles P-C4'-P energy: -47.629 tors. eta vs tors. theta energy: -57.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -921.000357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.000357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.000357 (E_RNA) where: Base-Base interactions energy: -617.530 where: short stacking energy: -267.007 Base-Backbone interact. energy: -0.194 local terms energy: -303.276358 where: bonds (distance) C4'-P energy: -58.826 bonds (distance) P-C4' energy: -63.695 flat angles C4'-P-C4' energy: -71.006 flat angles P-C4'-P energy: -51.217 tors. eta vs tors. theta energy: -58.533 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: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -887.307380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.307380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.307380 (E_RNA) where: Base-Base interactions energy: -627.585 where: short stacking energy: -241.632 Base-Backbone interact. energy: 0.294 local terms energy: -260.016941 where: bonds (distance) C4'-P energy: -55.157 bonds (distance) P-C4' energy: -56.451 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -40.719 tors. eta vs tors. theta energy: -50.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -644.505857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.505857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.505857 (E_RNA) where: Base-Base interactions energy: -405.573 where: short stacking energy: -188.742 Base-Backbone interact. energy: -0.878 local terms energy: -238.054760 where: bonds (distance) C4'-P energy: -49.947 bonds (distance) P-C4' energy: -58.594 flat angles C4'-P-C4' energy: -57.864 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -27.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -484.559885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.559885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.559885 (E_RNA) where: Base-Base interactions energy: -291.493 where: short stacking energy: -170.695 Base-Backbone interact. energy: 4.973 local terms energy: -198.040802 where: bonds (distance) C4'-P energy: -62.494 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -50.005 flat angles P-C4'-P energy: -24.568 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -463.120218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.120218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.120218 (E_RNA) where: Base-Base interactions energy: -264.235 where: short stacking energy: -130.264 Base-Backbone interact. energy: 2.446 local terms energy: -201.330999 where: bonds (distance) C4'-P energy: -51.238 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -52.650 flat angles P-C4'-P energy: -26.017 tors. eta vs tors. theta energy: -10.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1248.901804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.901804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.901804 (E_RNA) where: Base-Base interactions energy: -882.647 where: short stacking energy: -387.422 Base-Backbone interact. energy: 0.188 local terms energy: -366.443544 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -69.941 flat angles C4'-P-C4' energy: -78.793 flat angles P-C4'-P energy: -47.924 tors. eta vs tors. theta energy: -107.840 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: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1150.830393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.830393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.830393 (E_RNA) where: Base-Base interactions energy: -802.211 where: short stacking energy: -348.944 Base-Backbone interact. energy: -2.171 local terms energy: -346.448068 where: bonds (distance) C4'-P energy: -48.736 bonds (distance) P-C4' energy: -67.640 flat angles C4'-P-C4' energy: -79.611 flat angles P-C4'-P energy: -53.580 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: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1114.820897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.820897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.820897 (E_RNA) where: Base-Base interactions energy: -799.455 where: short stacking energy: -340.123 Base-Backbone interact. energy: -0.862 local terms energy: -314.503830 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -63.983 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -77.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1032.258409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.258409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.258409 (E_RNA) where: Base-Base interactions energy: -710.121 where: short stacking energy: -314.620 Base-Backbone interact. energy: -0.489 local terms energy: -321.647747 where: bonds (distance) C4'-P energy: -61.401 bonds (distance) P-C4' energy: -64.763 flat angles C4'-P-C4' energy: -72.251 flat angles P-C4'-P energy: -36.733 tors. eta vs tors. theta energy: -86.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -930.161998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.161998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.161998 (E_RNA) where: Base-Base interactions energy: -646.967 where: short stacking energy: -273.909 Base-Backbone interact. energy: 0.197 local terms energy: -283.392050 where: bonds (distance) C4'-P energy: -65.392 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -50.087 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: -55.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -912.641689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.641689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.641689 (E_RNA) where: Base-Base interactions energy: -624.493 where: short stacking energy: -279.006 Base-Backbone interact. energy: 0.487 local terms energy: -288.635913 where: bonds (distance) C4'-P energy: -60.297 bonds (distance) P-C4' energy: -63.634 flat angles C4'-P-C4' energy: -62.730 flat angles P-C4'-P energy: -37.276 tors. eta vs tors. theta energy: -64.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -923.899836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.899836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.899836 (E_RNA) where: Base-Base interactions energy: -607.022 where: short stacking energy: -263.051 Base-Backbone interact. energy: 1.488 local terms energy: -318.366147 where: bonds (distance) C4'-P energy: -72.353 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -71.685 flat angles P-C4'-P energy: -46.574 tors. eta vs tors. theta energy: -53.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -680.334593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.334593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.334593 (E_RNA) where: Base-Base interactions energy: -420.842 where: short stacking energy: -199.845 Base-Backbone interact. energy: -2.539 local terms energy: -256.953176 where: bonds (distance) C4'-P energy: -62.142 bonds (distance) P-C4' energy: -65.949 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -20.614 tors. eta vs tors. theta energy: -31.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -486.107889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.107889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.107889 (E_RNA) where: Base-Base interactions energy: -275.902 where: short stacking energy: -139.037 Base-Backbone interact. energy: 1.341 local terms energy: -211.546998 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -53.348 flat angles C4'-P-C4' energy: -58.182 flat angles P-C4'-P energy: -32.979 tors. eta vs tors. theta energy: -14.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -477.043389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.043389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.043389 (E_RNA) where: Base-Base interactions energy: -280.485 where: short stacking energy: -147.006 Base-Backbone interact. energy: -0.496 local terms energy: -196.062167 where: bonds (distance) C4'-P energy: -43.433 bonds (distance) P-C4' energy: -54.893 flat angles C4'-P-C4' energy: -49.840 flat angles P-C4'-P energy: -35.972 tors. eta vs tors. theta energy: -11.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1252.846943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.846943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.846943 (E_RNA) where: Base-Base interactions energy: -875.697 where: short stacking energy: -374.303 Base-Backbone interact. energy: 2.986 local terms energy: -380.136511 where: bonds (distance) C4'-P energy: -65.140 bonds (distance) P-C4' energy: -70.258 flat angles C4'-P-C4' energy: -88.049 flat angles P-C4'-P energy: -50.803 tors. eta vs tors. theta energy: -105.887 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: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1132.067286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.067286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.067286 (E_RNA) where: Base-Base interactions energy: -783.868 where: short stacking energy: -334.680 Base-Backbone interact. energy: -1.686 local terms energy: -346.513480 where: bonds (distance) C4'-P energy: -64.452 bonds (distance) P-C4' energy: -63.224 flat angles C4'-P-C4' energy: -76.741 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -94.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1119.242520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.242520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.242520 (E_RNA) where: Base-Base interactions energy: -788.375 where: short stacking energy: -335.676 Base-Backbone interact. energy: -0.958 local terms energy: -329.909879 where: bonds (distance) C4'-P energy: -57.326 bonds (distance) P-C4' energy: -62.293 flat angles C4'-P-C4' energy: -75.076 flat angles P-C4'-P energy: -53.584 tors. eta vs tors. theta energy: -81.631 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: 3 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1062.951269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.951269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.951269 (E_RNA) where: Base-Base interactions energy: -732.177 where: short stacking energy: -299.618 Base-Backbone interact. energy: -2.610 local terms energy: -328.163538 where: bonds (distance) C4'-P energy: -65.424 bonds (distance) P-C4' energy: -62.892 flat angles C4'-P-C4' energy: -64.963 flat angles P-C4'-P energy: -49.273 tors. eta vs tors. theta energy: -85.611 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: 45 Temperature: 1.100000 Total energy: -953.259119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.259119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.259119 (E_RNA) where: Base-Base interactions energy: -661.116 where: short stacking energy: -280.595 Base-Backbone interact. energy: 5.965 local terms energy: -298.108261 where: bonds (distance) C4'-P energy: -66.931 bonds (distance) P-C4' energy: -56.263 flat angles C4'-P-C4' energy: -72.753 flat angles P-C4'-P energy: -41.160 tors. eta vs tors. theta energy: -61.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -961.203269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.203269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.203269 (E_RNA) where: Base-Base interactions energy: -652.012 where: short stacking energy: -263.999 Base-Backbone interact. energy: -2.256 local terms energy: -306.935434 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -63.869 flat angles C4'-P-C4' energy: -64.255 flat angles P-C4'-P energy: -48.209 tors. eta vs tors. theta energy: -69.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -903.476467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.476467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.476467 (E_RNA) where: Base-Base interactions energy: -606.902 where: short stacking energy: -234.702 Base-Backbone interact. energy: -1.451 local terms energy: -295.123019 where: bonds (distance) C4'-P energy: -58.514 bonds (distance) P-C4' energy: -65.437 flat angles C4'-P-C4' energy: -62.284 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -58.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -640.523937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.523937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.523937 (E_RNA) where: Base-Base interactions energy: -386.039 where: short stacking energy: -197.727 Base-Backbone interact. energy: 0.337 local terms energy: -254.822055 where: bonds (distance) C4'-P energy: -59.117 bonds (distance) P-C4' energy: -53.742 flat angles C4'-P-C4' energy: -62.940 flat angles P-C4'-P energy: -39.476 tors. eta vs tors. theta energy: -39.547 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: 45 Temperature: 1.300000 Total energy: -499.767799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.767799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.767799 (E_RNA) where: Base-Base interactions energy: -296.342 where: short stacking energy: -168.127 Base-Backbone interact. energy: 1.059 local terms energy: -204.484567 where: bonds (distance) C4'-P energy: -53.901 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -45.119 flat angles P-C4'-P energy: -25.554 tors. eta vs tors. theta energy: -15.381 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: 45 Temperature: 1.350000 Total energy: -520.813406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.813406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.813406 (E_RNA) where: Base-Base interactions energy: -274.301 where: short stacking energy: -151.759 Base-Backbone interact. energy: -0.937 local terms energy: -245.575884 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -67.893 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -32.914 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1274.942875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.942875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.942875 (E_RNA) where: Base-Base interactions energy: -881.301 where: short stacking energy: -369.474 Base-Backbone interact. energy: -0.807 local terms energy: -392.834268 where: bonds (distance) C4'-P energy: -73.706 bonds (distance) P-C4' energy: -77.641 flat angles C4'-P-C4' energy: -84.758 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -110.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1146.687700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.687700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.687700 (E_RNA) where: Base-Base interactions energy: -796.199 where: short stacking energy: -342.456 Base-Backbone interact. energy: -2.268 local terms energy: -348.220844 where: bonds (distance) C4'-P energy: -64.917 bonds (distance) P-C4' energy: -64.223 flat angles C4'-P-C4' energy: -77.374 flat angles P-C4'-P energy: -50.205 tors. eta vs tors. theta energy: -91.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1129.810635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.810635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.810635 (E_RNA) where: Base-Base interactions energy: -792.262 where: short stacking energy: -340.498 Base-Backbone interact. energy: -1.938 local terms energy: -335.610452 where: bonds (distance) C4'-P energy: -57.289 bonds (distance) P-C4' energy: -66.308 flat angles C4'-P-C4' energy: -74.879 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -83.493 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: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1062.001775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.001775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.001775 (E_RNA) where: Base-Base interactions energy: -728.980 where: short stacking energy: -309.165 Base-Backbone interact. energy: -1.210 local terms energy: -331.812016 where: bonds (distance) C4'-P energy: -66.934 bonds (distance) P-C4' energy: -67.760 flat angles C4'-P-C4' energy: -74.298 flat angles P-C4'-P energy: -39.812 tors. eta vs tors. theta energy: -83.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -990.548487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.548487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.548487 (E_RNA) where: Base-Base interactions energy: -688.632 where: short stacking energy: -275.988 Base-Backbone interact. energy: -2.906 local terms energy: -299.009952 where: bonds (distance) C4'-P energy: -51.338 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -72.272 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -62.861 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: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -926.884458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.884458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.884458 (E_RNA) where: Base-Base interactions energy: -666.815 where: short stacking energy: -262.966 Base-Backbone interact. energy: 3.291 local terms energy: -263.360193 where: bonds (distance) C4'-P energy: -51.472 bonds (distance) P-C4' energy: -70.004 flat angles C4'-P-C4' energy: -55.254 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -49.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -855.593929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.593929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.593929 (E_RNA) where: Base-Base interactions energy: -575.797 where: short stacking energy: -255.734 Base-Backbone interact. energy: -0.971 local terms energy: -278.825936 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -58.014 flat angles C4'-P-C4' energy: -68.485 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -55.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -621.575771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.575771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.575771 (E_RNA) where: Base-Base interactions energy: -408.356 where: short stacking energy: -178.590 Base-Backbone interact. energy: 6.719 local terms energy: -219.938351 where: bonds (distance) C4'-P energy: -49.126 bonds (distance) P-C4' energy: -58.441 flat angles C4'-P-C4' energy: -46.723 flat angles P-C4'-P energy: -35.890 tors. eta vs tors. theta energy: -29.757 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: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -576.746061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.746061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.746061 (E_RNA) where: Base-Base interactions energy: -343.432 where: short stacking energy: -160.845 Base-Backbone interact. energy: 3.331 local terms energy: -236.645193 where: bonds (distance) C4'-P energy: -56.477 bonds (distance) P-C4' energy: -61.287 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -32.334 tors. eta vs tors. theta energy: -27.228 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: 1 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -422.179050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.179050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.179050 (E_RNA) where: Base-Base interactions energy: -230.970 where: short stacking energy: -131.479 Base-Backbone interact. energy: 3.601 local terms energy: -194.810424 where: bonds (distance) C4'-P energy: -54.782 bonds (distance) P-C4' energy: -66.463 flat angles C4'-P-C4' energy: -40.805 flat angles P-C4'-P energy: -29.745 tors. eta vs tors. theta energy: -3.015 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: 47 Temperature: 0.900000 Total energy: -1266.095596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.095596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.095596 (E_RNA) where: Base-Base interactions energy: -879.200 where: short stacking energy: -396.228 Base-Backbone interact. energy: -0.900 local terms energy: -385.995804 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -75.908 flat angles C4'-P-C4' energy: -83.505 flat angles P-C4'-P energy: -49.832 tors. eta vs tors. theta energy: -110.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1153.541159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.541159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.541159 (E_RNA) where: Base-Base interactions energy: -793.003 where: short stacking energy: -339.275 Base-Backbone interact. energy: -0.745 local terms energy: -359.793415 where: bonds (distance) C4'-P energy: -66.575 bonds (distance) P-C4' energy: -66.360 flat angles C4'-P-C4' energy: -76.379 flat angles P-C4'-P energy: -52.168 tors. eta vs tors. theta energy: -98.310 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: 3, replica: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1137.926497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.926497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.926497 (E_RNA) where: Base-Base interactions energy: -785.240 where: short stacking energy: -343.762 Base-Backbone interact. energy: -0.021 local terms energy: -352.665696 where: bonds (distance) C4'-P energy: -53.219 bonds (distance) P-C4' energy: -74.447 flat angles C4'-P-C4' energy: -69.091 flat angles P-C4'-P energy: -65.605 tors. eta vs tors. theta energy: -90.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1086.788927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.788927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.788927 (E_RNA) where: Base-Base interactions energy: -760.610 where: short stacking energy: -312.672 Base-Backbone interact. energy: -1.883 local terms energy: -324.295830 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -76.162 flat angles P-C4'-P energy: -45.753 tors. eta vs tors. theta energy: -89.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1002.662583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.662583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.662583 (E_RNA) where: Base-Base interactions energy: -703.362 where: short stacking energy: -287.837 Base-Backbone interact. energy: 0.259 local terms energy: -299.559999 where: bonds (distance) C4'-P energy: -53.776 bonds (distance) P-C4' energy: -60.932 flat angles C4'-P-C4' energy: -63.286 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -79.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -962.441016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.441016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.441016 (E_RNA) where: Base-Base interactions energy: -669.020 where: short stacking energy: -264.757 Base-Backbone interact. energy: -4.514 local terms energy: -288.907109 where: bonds (distance) C4'-P energy: -65.427 bonds (distance) P-C4' energy: -61.585 flat angles C4'-P-C4' energy: -69.756 flat angles P-C4'-P energy: -38.324 tors. eta vs tors. theta energy: -53.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -862.572370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.572370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.572370 (E_RNA) where: Base-Base interactions energy: -592.521 where: short stacking energy: -249.369 Base-Backbone interact. energy: -1.516 local terms energy: -268.535109 where: bonds (distance) C4'-P energy: -48.535 bonds (distance) P-C4' energy: -65.380 flat angles C4'-P-C4' energy: -53.295 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -56.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -653.082908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.082908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.082908 (E_RNA) where: Base-Base interactions energy: -391.304 where: short stacking energy: -220.275 Base-Backbone interact. energy: 2.498 local terms energy: -264.277314 where: bonds (distance) C4'-P energy: -53.499 bonds (distance) P-C4' energy: -58.168 flat angles C4'-P-C4' energy: -59.523 flat angles P-C4'-P energy: -44.650 tors. eta vs tors. theta energy: -48.437 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: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -601.320717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.320717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.320717 (E_RNA) where: Base-Base interactions energy: -361.434 where: short stacking energy: -158.284 Base-Backbone interact. energy: -0.886 local terms energy: -239.000685 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -60.317 flat angles C4'-P-C4' energy: -56.529 flat angles P-C4'-P energy: -44.207 tors. eta vs tors. theta energy: -19.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -426.687451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.687451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.687451 (E_RNA) where: Base-Base interactions energy: -237.737 where: short stacking energy: -113.760 Base-Backbone interact. energy: 0.966 local terms energy: -189.916386 where: bonds (distance) C4'-P energy: -60.664 bonds (distance) P-C4' energy: -61.327 flat angles C4'-P-C4' energy: -52.079 flat angles P-C4'-P energy: -24.219 tors. eta vs tors. theta energy: 8.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1242.970598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.970598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.970598 (E_RNA) where: Base-Base interactions energy: -858.369 where: short stacking energy: -377.735 Base-Backbone interact. energy: -0.925 local terms energy: -383.676634 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -85.602 flat angles P-C4'-P energy: -54.588 tors. eta vs tors. theta energy: -107.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1137.547236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.547236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.547236 (E_RNA) where: Base-Base interactions energy: -791.731 where: short stacking energy: -344.170 Base-Backbone interact. energy: 0.425 local terms energy: -346.241813 where: bonds (distance) C4'-P energy: -61.333 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -73.258 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -84.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1135.022543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.022543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.022543 (E_RNA) where: Base-Base interactions energy: -793.200 where: short stacking energy: -340.230 Base-Backbone interact. energy: 0.936 local terms energy: -342.758684 where: bonds (distance) C4'-P energy: -69.093 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -79.303 flat angles P-C4'-P energy: -46.522 tors. eta vs tors. theta energy: -78.891 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: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1093.163996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.163996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.163996 (E_RNA) where: Base-Base interactions energy: -761.436 where: short stacking energy: -314.750 Base-Backbone interact. energy: 0.404 local terms energy: -332.132450 where: bonds (distance) C4'-P energy: -72.552 bonds (distance) P-C4' energy: -66.630 flat angles C4'-P-C4' energy: -66.382 flat angles P-C4'-P energy: -49.810 tors. eta vs tors. theta energy: -76.757 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: 48 Temperature: 1.100000 Total energy: -1032.973555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.973555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.973555 (E_RNA) where: Base-Base interactions energy: -730.327 where: short stacking energy: -302.851 Base-Backbone interact. energy: -0.893 local terms energy: -301.753762 where: bonds (distance) C4'-P energy: -63.525 bonds (distance) P-C4' energy: -64.396 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -34.868 tors. eta vs tors. theta energy: -71.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -906.045982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.045982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.045982 (E_RNA) where: Base-Base interactions energy: -628.353 where: short stacking energy: -267.734 Base-Backbone interact. energy: 0.838 local terms energy: -278.531695 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -59.140 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -53.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -869.348416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.348416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.348416 (E_RNA) where: Base-Base interactions energy: -570.605 where: short stacking energy: -248.171 Base-Backbone interact. energy: -0.170 local terms energy: -298.573148 where: bonds (distance) C4'-P energy: -58.103 bonds (distance) P-C4' energy: -62.053 flat angles C4'-P-C4' energy: -64.770 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -63.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -658.617797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.617797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.617797 (E_RNA) where: Base-Base interactions energy: -411.119 where: short stacking energy: -183.026 Base-Backbone interact. energy: -1.873 local terms energy: -245.625347 where: bonds (distance) C4'-P energy: -50.312 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -36.776 tors. eta vs tors. theta energy: -29.661 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: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -575.168718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.168718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.168718 (E_RNA) where: Base-Base interactions energy: -355.782 where: short stacking energy: -164.451 Base-Backbone interact. energy: 4.517 local terms energy: -223.904052 where: bonds (distance) C4'-P energy: -47.422 bonds (distance) P-C4' energy: -72.479 flat angles C4'-P-C4' energy: -57.559 flat angles P-C4'-P energy: -33.473 tors. eta vs tors. theta energy: -12.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -452.244343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.244343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.244343 (E_RNA) where: Base-Base interactions energy: -227.827 where: short stacking energy: -129.128 Base-Backbone interact. energy: -0.297 local terms energy: -224.120422 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -69.076 flat angles C4'-P-C4' energy: -54.768 flat angles P-C4'-P energy: -30.668 tors. eta vs tors. theta energy: -12.863 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: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1268.621644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.621644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.621644 (E_RNA) where: Base-Base interactions energy: -880.321 where: short stacking energy: -373.586 Base-Backbone interact. energy: 1.574 local terms energy: -389.875244 where: bonds (distance) C4'-P energy: -69.750 bonds (distance) P-C4' energy: -70.998 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -63.137 tors. eta vs tors. theta energy: -110.080 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: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1151.994387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.994387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.994387 (E_RNA) where: Base-Base interactions energy: -804.367 where: short stacking energy: -337.068 Base-Backbone interact. energy: 2.274 local terms energy: -349.901564 where: bonds (distance) C4'-P energy: -61.011 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -78.723 flat angles P-C4'-P energy: -52.110 tors. eta vs tors. theta energy: -86.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1093.852357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.852357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.852357 (E_RNA) where: Base-Base interactions energy: -760.375 where: short stacking energy: -326.952 Base-Backbone interact. energy: -0.479 local terms energy: -332.998119 where: bonds (distance) C4'-P energy: -52.369 bonds (distance) P-C4' energy: -63.767 flat angles C4'-P-C4' energy: -77.780 flat angles P-C4'-P energy: -50.431 tors. eta vs tors. theta energy: -88.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1039.933038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.933038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.933038 (E_RNA) where: Base-Base interactions energy: -726.056 where: short stacking energy: -299.241 Base-Backbone interact. energy: -1.731 local terms energy: -312.145705 where: bonds (distance) C4'-P energy: -64.869 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -73.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1077.824424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.824424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.824424 (E_RNA) where: Base-Base interactions energy: -773.890 where: short stacking energy: -315.859 Base-Backbone interact. energy: -0.342 local terms energy: -303.591959 where: bonds (distance) C4'-P energy: -64.710 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -62.708 flat angles P-C4'-P energy: -44.910 tors. eta vs tors. theta energy: -68.638 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: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -913.950673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.950673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.950673 (E_RNA) where: Base-Base interactions energy: -631.291 where: short stacking energy: -265.992 Base-Backbone interact. energy: -0.482 local terms energy: -282.177202 where: bonds (distance) C4'-P energy: -63.882 bonds (distance) P-C4' energy: -60.038 flat angles C4'-P-C4' energy: -69.363 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -48.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -924.689574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.689574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.689574 (E_RNA) where: Base-Base interactions energy: -616.016 where: short stacking energy: -280.135 Base-Backbone interact. energy: -0.390 local terms energy: -308.283237 where: bonds (distance) C4'-P energy: -45.416 bonds (distance) P-C4' energy: -60.454 flat angles C4'-P-C4' energy: -67.847 flat angles P-C4'-P energy: -54.252 tors. eta vs tors. theta energy: -80.314 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: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -673.739839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.739839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.739839 (E_RNA) where: Base-Base interactions energy: -436.679 where: short stacking energy: -215.704 Base-Backbone interact. energy: 1.875 local terms energy: -238.935593 where: bonds (distance) C4'-P energy: -44.571 bonds (distance) P-C4' energy: -59.344 flat angles C4'-P-C4' energy: -59.507 flat angles P-C4'-P energy: -30.058 tors. eta vs tors. theta energy: -45.457 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: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -560.842596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.842596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.842596 (E_RNA) where: Base-Base interactions energy: -327.811 where: short stacking energy: -167.156 Base-Backbone interact. energy: 1.382 local terms energy: -234.414403 where: bonds (distance) C4'-P energy: -63.010 bonds (distance) P-C4' energy: -60.698 flat angles C4'-P-C4' energy: -44.625 flat angles P-C4'-P energy: -34.938 tors. eta vs tors. theta energy: -31.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -451.099419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.099419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.099419 (E_RNA) where: Base-Base interactions energy: -224.753 where: short stacking energy: -129.963 Base-Backbone interact. energy: -1.583 local terms energy: -224.763684 where: bonds (distance) C4'-P energy: -59.687 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -62.019 flat angles P-C4'-P energy: -30.477 tors. eta vs tors. theta energy: -6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1266.702317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.702317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.702317 (E_RNA) where: Base-Base interactions energy: -893.283 where: short stacking energy: -388.163 Base-Backbone interact. energy: -0.036 local terms energy: -373.384079 where: bonds (distance) C4'-P energy: -71.138 bonds (distance) P-C4' energy: -55.743 flat angles C4'-P-C4' energy: -82.102 flat angles P-C4'-P energy: -50.290 tors. eta vs tors. theta energy: -114.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1155.052547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.052547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.052547 (E_RNA) where: Base-Base interactions energy: -803.716 where: short stacking energy: -344.409 Base-Backbone interact. energy: -0.977 local terms energy: -350.358899 where: bonds (distance) C4'-P energy: -66.442 bonds (distance) P-C4' energy: -75.517 flat angles C4'-P-C4' energy: -70.993 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -91.448 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: 5 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1111.401491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.401491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.401491 (E_RNA) where: Base-Base interactions energy: -738.661 where: short stacking energy: -328.296 Base-Backbone interact. energy: -2.088 local terms energy: -370.652826 where: bonds (distance) C4'-P energy: -72.537 bonds (distance) P-C4' energy: -72.512 flat angles C4'-P-C4' energy: -73.347 flat angles P-C4'-P energy: -48.659 tors. eta vs tors. theta energy: -103.596 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: 9 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1052.970199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.970199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.970199 (E_RNA) where: Base-Base interactions energy: -720.490 where: short stacking energy: -269.467 Base-Backbone interact. energy: -0.561 local terms energy: -331.919490 where: bonds (distance) C4'-P energy: -66.309 bonds (distance) P-C4' energy: -75.709 flat angles C4'-P-C4' energy: -76.101 flat angles P-C4'-P energy: -44.421 tors. eta vs tors. theta energy: -69.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1041.537669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.537669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.537669 (E_RNA) where: Base-Base interactions energy: -716.080 where: short stacking energy: -325.652 Base-Backbone interact. energy: 0.710 local terms energy: -326.168272 where: bonds (distance) C4'-P energy: -72.860 bonds (distance) P-C4' energy: -65.548 flat angles C4'-P-C4' energy: -69.185 flat angles P-C4'-P energy: -34.062 tors. eta vs tors. theta energy: -84.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -922.726932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.726932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.726932 (E_RNA) where: Base-Base interactions energy: -637.381 where: short stacking energy: -271.193 Base-Backbone interact. energy: -0.642 local terms energy: -284.703507 where: bonds (distance) C4'-P energy: -54.536 bonds (distance) P-C4' energy: -62.733 flat angles C4'-P-C4' energy: -64.316 flat angles P-C4'-P energy: -48.255 tors. eta vs tors. theta energy: -54.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -937.589573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.589573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.589573 (E_RNA) where: Base-Base interactions energy: -642.196 where: short stacking energy: -273.722 Base-Backbone interact. energy: -0.775 local terms energy: -294.618143 where: bonds (distance) C4'-P energy: -58.778 bonds (distance) P-C4' energy: -51.944 flat angles C4'-P-C4' energy: -74.899 flat angles P-C4'-P energy: -41.874 tors. eta vs tors. theta energy: -67.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -651.213207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.213207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.213207 (E_RNA) where: Base-Base interactions energy: -403.688 where: short stacking energy: -190.462 Base-Backbone interact. energy: -0.907 local terms energy: -246.618021 where: bonds (distance) C4'-P energy: -66.712 bonds (distance) P-C4' energy: -57.324 flat angles C4'-P-C4' energy: -52.811 flat angles P-C4'-P energy: -26.918 tors. eta vs tors. theta energy: -42.853 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: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -454.040838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.040838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.040838 (E_RNA) where: Base-Base interactions energy: -235.652 where: short stacking energy: -132.282 Base-Backbone interact. energy: -0.003 local terms energy: -218.385977 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -58.736 flat angles C4'-P-C4' energy: -59.587 flat angles P-C4'-P energy: -43.469 tors. eta vs tors. theta energy: -1.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -539.496824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.496824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.496824 (E_RNA) where: Base-Base interactions energy: -337.492 where: short stacking energy: -151.296 Base-Backbone interact. energy: 1.277 local terms energy: -203.281819 where: bonds (distance) C4'-P energy: -48.886 bonds (distance) P-C4' energy: -58.408 flat angles C4'-P-C4' energy: -49.791 flat angles P-C4'-P energy: -29.610 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1246.529266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.529266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.529266 (E_RNA) where: Base-Base interactions energy: -884.951 where: short stacking energy: -379.554 Base-Backbone interact. energy: 0.758 local terms energy: -362.335590 where: bonds (distance) C4'-P energy: -70.292 bonds (distance) P-C4' energy: -62.338 flat angles C4'-P-C4' energy: -75.824 flat angles P-C4'-P energy: -48.061 tors. eta vs tors. theta energy: -105.821 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: 2, replica: 8 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1153.276393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.276393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.276393 (E_RNA) where: Base-Base interactions energy: -804.898 where: short stacking energy: -334.127 Base-Backbone interact. energy: -0.801 local terms energy: -347.577511 where: bonds (distance) C4'-P energy: -71.519 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -78.052 flat angles P-C4'-P energy: -44.200 tors. eta vs tors. theta energy: -88.960 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: 5 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1115.894613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.894613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.894613 (E_RNA) where: Base-Base interactions energy: -763.930 where: short stacking energy: -339.438 Base-Backbone interact. energy: 1.745 local terms energy: -353.709915 where: bonds (distance) C4'-P energy: -63.027 bonds (distance) P-C4' energy: -77.844 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -40.684 tors. eta vs tors. theta energy: -93.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1066.065748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.065748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.065748 (E_RNA) where: Base-Base interactions energy: -738.853 where: short stacking energy: -298.620 Base-Backbone interact. energy: -1.681 local terms energy: -325.531591 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -68.100 flat angles P-C4'-P energy: -49.163 tors. eta vs tors. theta energy: -80.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1047.614978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.614978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.614978 (E_RNA) where: Base-Base interactions energy: -726.202 where: short stacking energy: -292.061 Base-Backbone interact. energy: -0.028 local terms energy: -321.385017 where: bonds (distance) C4'-P energy: -62.875 bonds (distance) P-C4' energy: -62.653 flat angles C4'-P-C4' energy: -71.123 flat angles P-C4'-P energy: -45.319 tors. eta vs tors. theta energy: -79.415 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: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -938.970995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.970995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.970995 (E_RNA) where: Base-Base interactions energy: -615.773 where: short stacking energy: -278.405 Base-Backbone interact. energy: -1.824 local terms energy: -321.374109 where: bonds (distance) C4'-P energy: -62.935 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -61.154 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -74.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -884.111385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.111385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.111385 (E_RNA) where: Base-Base interactions energy: -610.347 where: short stacking energy: -250.662 Base-Backbone interact. energy: 2.194 local terms energy: -275.958673 where: bonds (distance) C4'-P energy: -46.791 bonds (distance) P-C4' energy: -63.647 flat angles C4'-P-C4' energy: -68.510 flat angles P-C4'-P energy: -42.446 tors. eta vs tors. theta energy: -54.565 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: 51 Temperature: 1.250000 Total energy: -609.918270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.918270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.918270 (E_RNA) where: Base-Base interactions energy: -380.166 where: short stacking energy: -197.339 Base-Backbone interact. energy: -1.857 local terms energy: -227.895232 where: bonds (distance) C4'-P energy: -48.490 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -53.082 flat angles P-C4'-P energy: -34.208 tors. eta vs tors. theta energy: -34.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -459.043929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.043929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.043929 (E_RNA) where: Base-Base interactions energy: -241.549 where: short stacking energy: -131.173 Base-Backbone interact. energy: 1.809 local terms energy: -219.303208 where: bonds (distance) C4'-P energy: -48.240 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -63.292 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -505.575169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.575169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.575169 (E_RNA) where: Base-Base interactions energy: -310.367 where: short stacking energy: -141.381 Base-Backbone interact. energy: 4.716 local terms energy: -199.924249 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -52.439 flat angles C4'-P-C4' energy: -45.696 flat angles P-C4'-P energy: -41.691 tors. eta vs tors. theta energy: -4.225 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: 52 Temperature: 0.900000 Total energy: -1267.762279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.762279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.762279 (E_RNA) where: Base-Base interactions energy: -878.723 where: short stacking energy: -366.517 Base-Backbone interact. energy: -0.846 local terms energy: -388.192432 where: bonds (distance) C4'-P energy: -75.715 bonds (distance) P-C4' energy: -68.165 flat angles C4'-P-C4' energy: -85.155 flat angles P-C4'-P energy: -54.613 tors. eta vs tors. theta energy: -104.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1152.446193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.446193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.446193 (E_RNA) where: Base-Base interactions energy: -794.346 where: short stacking energy: -335.895 Base-Backbone interact. energy: -1.950 local terms energy: -356.149774 where: bonds (distance) C4'-P energy: -69.715 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -82.046 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: 52 Temperature: 1.000000 Total energy: -1097.127474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.127474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.127474 (E_RNA) where: Base-Base interactions energy: -763.989 where: short stacking energy: -309.812 Base-Backbone interact. energy: -1.745 local terms energy: -331.393604 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -59.679 flat angles C4'-P-C4' energy: -76.586 flat angles P-C4'-P energy: -51.410 tors. eta vs tors. theta energy: -77.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1062.170337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.170337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.170337 (E_RNA) where: Base-Base interactions energy: -726.817 where: short stacking energy: -335.857 Base-Backbone interact. energy: -1.937 local terms energy: -333.417228 where: bonds (distance) C4'-P energy: -55.942 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -77.512 flat angles P-C4'-P energy: -46.916 tors. eta vs tors. theta energy: -88.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1041.603613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.603613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.603613 (E_RNA) where: Base-Base interactions energy: -719.441 where: short stacking energy: -318.860 Base-Backbone interact. energy: 0.120 local terms energy: -322.282924 where: bonds (distance) C4'-P energy: -65.027 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -46.095 tors. eta vs tors. theta energy: -76.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -947.330050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.330050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.330050 (E_RNA) where: Base-Base interactions energy: -640.398 where: short stacking energy: -282.691 Base-Backbone interact. energy: -2.235 local terms energy: -304.697194 where: bonds (distance) C4'-P energy: -68.480 bonds (distance) P-C4' energy: -51.047 flat angles C4'-P-C4' energy: -66.403 flat angles P-C4'-P energy: -37.352 tors. eta vs tors. theta energy: -81.415 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: 7, replica: 6 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -850.036987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.036987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.036987 (E_RNA) where: Base-Base interactions energy: -587.384 where: short stacking energy: -244.412 Base-Backbone interact. energy: 2.969 local terms energy: -265.621574 where: bonds (distance) C4'-P energy: -47.652 bonds (distance) P-C4' energy: -64.480 flat angles C4'-P-C4' energy: -65.135 flat angles P-C4'-P energy: -38.992 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: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -616.985023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.985023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.985023 (E_RNA) where: Base-Base interactions energy: -390.916 where: short stacking energy: -197.601 Base-Backbone interact. energy: -1.764 local terms energy: -224.305464 where: bonds (distance) C4'-P energy: -41.435 bonds (distance) P-C4' energy: -62.499 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -31.663 tors. eta vs tors. theta energy: -22.235 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: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -552.904065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.904065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.904065 (E_RNA) where: Base-Base interactions energy: -311.030 where: short stacking energy: -185.203 Base-Backbone interact. energy: 0.780 local terms energy: -242.653910 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -56.611 flat angles C4'-P-C4' energy: -54.559 flat angles P-C4'-P energy: -36.862 tors. eta vs tors. theta energy: -37.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -438.404363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.404363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.404363 (E_RNA) where: Base-Base interactions energy: -225.180 where: short stacking energy: -121.637 Base-Backbone interact. energy: -1.238 local terms energy: -211.986477 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -59.684 flat angles C4'-P-C4' energy: -58.347 flat angles P-C4'-P energy: -27.433 tors. eta vs tors. theta energy: -4.654 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1259.872892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.872892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.872892 (E_RNA) where: Base-Base interactions energy: -889.046 where: short stacking energy: -382.399 Base-Backbone interact. energy: 0.026 local terms energy: -370.852711 where: bonds (distance) C4'-P energy: -67.192 bonds (distance) P-C4' energy: -64.966 flat angles C4'-P-C4' energy: -77.450 flat angles P-C4'-P energy: -57.476 tors. eta vs tors. theta energy: -103.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1186.656126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.656126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.656126 (E_RNA) where: Base-Base interactions energy: -829.091 where: short stacking energy: -345.707 Base-Backbone interact. energy: 2.870 local terms energy: -360.435182 where: bonds (distance) C4'-P energy: -69.062 bonds (distance) P-C4' energy: -72.790 flat angles C4'-P-C4' energy: -73.314 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -91.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1128.322519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.322519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.322519 (E_RNA) where: Base-Base interactions energy: -791.010 where: short stacking energy: -327.502 Base-Backbone interact. energy: 0.260 local terms energy: -337.572465 where: bonds (distance) C4'-P energy: -69.099 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -84.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1073.500852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.500852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.500852 (E_RNA) where: Base-Base interactions energy: -741.985 where: short stacking energy: -330.534 Base-Backbone interact. energy: 2.244 local terms energy: -333.759808 where: bonds (distance) C4'-P energy: -59.055 bonds (distance) P-C4' energy: -57.331 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -56.174 tors. eta vs tors. theta energy: -84.284 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: 5 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1042.893803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.893803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.893803 (E_RNA) where: Base-Base interactions energy: -712.815 where: short stacking energy: -326.868 Base-Backbone interact. energy: 0.284 local terms energy: -330.363100 where: bonds (distance) C4'-P energy: -50.568 bonds (distance) P-C4' energy: -63.845 flat angles C4'-P-C4' energy: -72.875 flat angles P-C4'-P energy: -53.357 tors. eta vs tors. theta energy: -89.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -968.905497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.905497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.905497 (E_RNA) where: Base-Base interactions energy: -659.946 where: short stacking energy: -311.351 Base-Backbone interact. energy: 2.023 local terms energy: -310.982969 where: bonds (distance) C4'-P energy: -59.980 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -70.264 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -79.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -827.697810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.697810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.697810 (E_RNA) where: Base-Base interactions energy: -533.605 where: short stacking energy: -246.135 Base-Backbone interact. energy: -0.665 local terms energy: -293.427995 where: bonds (distance) C4'-P energy: -65.034 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -70.995 flat angles P-C4'-P energy: -38.645 tors. eta vs tors. theta energy: -53.349 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: 8, replica: 2 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -611.244292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.244292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.244292 (E_RNA) where: Base-Base interactions energy: -395.195 where: short stacking energy: -174.154 Base-Backbone interact. energy: 0.680 local terms energy: -216.729670 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -59.595 flat angles C4'-P-C4' energy: -47.791 flat angles P-C4'-P energy: -30.087 tors. eta vs tors. theta energy: -21.758 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: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -576.666020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.666020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.666020 (E_RNA) where: Base-Base interactions energy: -355.453 where: short stacking energy: -191.344 Base-Backbone interact. energy: 1.514 local terms energy: -222.727700 where: bonds (distance) C4'-P energy: -49.935 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -58.310 flat angles P-C4'-P energy: -24.381 tors. eta vs tors. theta energy: -28.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -490.385196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.385196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.385196 (E_RNA) where: Base-Base interactions energy: -256.941 where: short stacking energy: -156.099 Base-Backbone interact. energy: -1.884 local terms energy: -231.560528 where: bonds (distance) C4'-P energy: -51.870 bonds (distance) P-C4' energy: -59.814 flat angles C4'-P-C4' energy: -60.202 flat angles P-C4'-P energy: -33.047 tors. eta vs tors. theta energy: -26.627 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: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1266.604306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.604306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.604306 (E_RNA) where: Base-Base interactions energy: -889.012 where: short stacking energy: -381.953 Base-Backbone interact. energy: 1.461 local terms energy: -379.052583 where: bonds (distance) C4'-P energy: -74.415 bonds (distance) P-C4' energy: -73.665 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -45.547 tors. eta vs tors. theta energy: -107.495 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: 8 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1155.573692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.573692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.573692 (E_RNA) where: Base-Base interactions energy: -818.806 where: short stacking energy: -351.405 Base-Backbone interact. energy: -2.493 local terms energy: -334.275026 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -72.951 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -35.946 tors. eta vs tors. theta energy: -89.869 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: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1135.920890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.920890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.920890 (E_RNA) where: Base-Base interactions energy: -795.890 where: short stacking energy: -327.088 Base-Backbone interact. energy: 0.648 local terms energy: -340.678997 where: bonds (distance) C4'-P energy: -59.094 bonds (distance) P-C4' energy: -69.682 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -89.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1094.304144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.304144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.304144 (E_RNA) where: Base-Base interactions energy: -743.536 where: short stacking energy: -324.756 Base-Backbone interact. energy: -1.438 local terms energy: -349.330662 where: bonds (distance) C4'-P energy: -67.941 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -77.284 flat angles P-C4'-P energy: -51.324 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: 5, replica: 7 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1017.284427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.284427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.284427 (E_RNA) where: Base-Base interactions energy: -714.945 where: short stacking energy: -319.226 Base-Backbone interact. energy: -0.391 local terms energy: -301.947683 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -60.063 flat angles C4'-P-C4' energy: -70.784 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -76.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -991.493422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.493422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.493422 (E_RNA) where: Base-Base interactions energy: -689.298 where: short stacking energy: -304.296 Base-Backbone interact. energy: -2.480 local terms energy: -299.715802 where: bonds (distance) C4'-P energy: -58.565 bonds (distance) P-C4' energy: -61.068 flat angles C4'-P-C4' energy: -58.718 flat angles P-C4'-P energy: -43.264 tors. eta vs tors. theta energy: -78.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -866.748269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.748269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.748269 (E_RNA) where: Base-Base interactions energy: -593.408 where: short stacking energy: -258.744 Base-Backbone interact. energy: 0.839 local terms energy: -274.178736 where: bonds (distance) C4'-P energy: -63.738 bonds (distance) P-C4' energy: -44.636 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -38.729 tors. eta vs tors. theta energy: -64.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -625.109696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.109696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.109696 (E_RNA) where: Base-Base interactions energy: -378.992 where: short stacking energy: -174.938 Base-Backbone interact. energy: -0.610 local terms energy: -245.507602 where: bonds (distance) C4'-P energy: -60.145 bonds (distance) P-C4' energy: -67.361 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -34.931 tors. eta vs tors. theta energy: -27.331 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: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -610.287485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.287485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.287485 (E_RNA) where: Base-Base interactions energy: -415.282 where: short stacking energy: -199.324 Base-Backbone interact. energy: 0.945 local terms energy: -195.950478 where: bonds (distance) C4'-P energy: -34.339 bonds (distance) P-C4' energy: -50.850 flat angles C4'-P-C4' energy: -51.538 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: -29.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -434.023190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.023190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.023190 (E_RNA) where: Base-Base interactions energy: -229.115 where: short stacking energy: -121.724 Base-Backbone interact. energy: 4.767 local terms energy: -209.675220 where: bonds (distance) C4'-P energy: -63.448 bonds (distance) P-C4' energy: -53.706 flat angles C4'-P-C4' energy: -44.007 flat angles P-C4'-P energy: -43.367 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1249.337263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.337263 (E_RNA) where: Base-Base interactions energy: -882.299 where: short stacking energy: -374.626 Base-Backbone interact. energy: -1.055 local terms energy: -365.983027 where: bonds (distance) C4'-P energy: -68.180 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -72.880 flat angles P-C4'-P energy: -47.841 tors. eta vs tors. theta energy: -105.225 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: 2, replica: 9 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1148.626200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.626200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.626200 (E_RNA) where: Base-Base interactions energy: -797.087 where: short stacking energy: -337.783 Base-Backbone interact. energy: -0.485 local terms energy: -351.054515 where: bonds (distance) C4'-P energy: -58.399 bonds (distance) P-C4' energy: -70.678 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -90.940 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: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1142.942938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.942938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.942938 (E_RNA) where: Base-Base interactions energy: -792.536 where: short stacking energy: -349.562 Base-Backbone interact. energy: -0.494 local terms energy: -349.912842 where: bonds (distance) C4'-P energy: -67.927 bonds (distance) P-C4' energy: -70.680 flat angles C4'-P-C4' energy: -60.630 flat angles P-C4'-P energy: -57.844 tors. eta vs tors. theta energy: -92.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1084.605194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.605194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.605194 (E_RNA) where: Base-Base interactions energy: -759.919 where: short stacking energy: -312.348 Base-Backbone interact. energy: -0.800 local terms energy: -323.885521 where: bonds (distance) C4'-P energy: -53.916 bonds (distance) P-C4' energy: -73.453 flat angles C4'-P-C4' energy: -70.572 flat angles P-C4'-P energy: -48.911 tors. eta vs tors. theta energy: -77.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -982.987718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.987718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.987718 (E_RNA) where: Base-Base interactions energy: -678.644 where: short stacking energy: -308.295 Base-Backbone interact. energy: -2.140 local terms energy: -302.203899 where: bonds (distance) C4'-P energy: -60.849 bonds (distance) P-C4' energy: -52.686 flat angles C4'-P-C4' energy: -68.676 flat angles P-C4'-P energy: -38.373 tors. eta vs tors. theta energy: -81.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -927.740410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.740410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.740410 (E_RNA) where: Base-Base interactions energy: -627.160 where: short stacking energy: -276.373 Base-Backbone interact. energy: 0.347 local terms energy: -300.926955 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -66.682 flat angles C4'-P-C4' energy: -62.689 flat angles P-C4'-P energy: -40.703 tors. eta vs tors. theta energy: -70.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -816.696809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.696809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.696809 (E_RNA) where: Base-Base interactions energy: -549.698 where: short stacking energy: -226.119 Base-Backbone interact. energy: 1.765 local terms energy: -268.762981 where: bonds (distance) C4'-P energy: -51.923 bonds (distance) P-C4' energy: -61.796 flat angles C4'-P-C4' energy: -74.649 flat angles P-C4'-P energy: -40.326 tors. eta vs tors. theta energy: -40.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -641.538890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.538890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.538890 (E_RNA) where: Base-Base interactions energy: -385.225 where: short stacking energy: -203.504 Base-Backbone interact. energy: 0.989 local terms energy: -257.303046 where: bonds (distance) C4'-P energy: -68.918 bonds (distance) P-C4' energy: -54.094 flat angles C4'-P-C4' energy: -48.047 flat angles P-C4'-P energy: -37.066 tors. eta vs tors. theta energy: -49.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -618.097524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.097524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.097524 (E_RNA) where: Base-Base interactions energy: -393.971 where: short stacking energy: -173.124 Base-Backbone interact. energy: -0.795 local terms energy: -223.331400 where: bonds (distance) C4'-P energy: -52.756 bonds (distance) P-C4' energy: -61.404 flat angles C4'-P-C4' energy: -64.317 flat angles P-C4'-P energy: -31.697 tors. eta vs tors. theta energy: -13.157 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: 55 Temperature: 1.350000 Total energy: -463.039714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.039714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.039714 (E_RNA) where: Base-Base interactions energy: -231.347 where: short stacking energy: -145.875 Base-Backbone interact. energy: -0.845 local terms energy: -230.847865 where: bonds (distance) C4'-P energy: -58.552 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -29.878 tors. eta vs tors. theta energy: -13.995 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: 56 Temperature: 0.900000 Total energy: -1270.274529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.274529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.274529 (E_RNA) where: Base-Base interactions energy: -884.703 where: short stacking energy: -388.672 Base-Backbone interact. energy: -0.920 local terms energy: -384.651541 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -72.784 flat angles C4'-P-C4' energy: -77.270 flat angles P-C4'-P energy: -58.944 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: 2, replica: 9 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1141.766023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.766023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.766023 (E_RNA) where: Base-Base interactions energy: -772.251 where: short stacking energy: -322.347 Base-Backbone interact. energy: -0.332 local terms energy: -369.183089 where: bonds (distance) C4'-P energy: -74.429 bonds (distance) P-C4' energy: -73.734 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -49.862 tors. eta vs tors. theta energy: -92.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1135.825380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.825380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.825380 (E_RNA) where: Base-Base interactions energy: -796.501 where: short stacking energy: -343.521 Base-Backbone interact. energy: -0.922 local terms energy: -338.402279 where: bonds (distance) C4'-P energy: -71.368 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -75.510 flat angles P-C4'-P energy: -37.564 tors. eta vs tors. theta energy: -85.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1111.749857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.749857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.749857 (E_RNA) where: Base-Base interactions energy: -778.532 where: short stacking energy: -327.723 Base-Backbone interact. energy: 1.289 local terms energy: -334.507336 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -61.085 flat angles P-C4'-P energy: -49.092 tors. eta vs tors. theta energy: -90.278 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: 56 Temperature: 1.100000 Total energy: -1019.905412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.905412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.905412 (E_RNA) where: Base-Base interactions energy: -691.473 where: short stacking energy: -301.524 Base-Backbone interact. energy: -2.878 local terms energy: -325.554327 where: bonds (distance) C4'-P energy: -58.115 bonds (distance) P-C4' energy: -71.270 flat angles C4'-P-C4' energy: -76.981 flat angles P-C4'-P energy: -41.639 tors. eta vs tors. theta energy: -77.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -954.714285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.714285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.714285 (E_RNA) where: Base-Base interactions energy: -644.604 where: short stacking energy: -273.277 Base-Backbone interact. energy: -1.383 local terms energy: -308.728120 where: bonds (distance) C4'-P energy: -63.240 bonds (distance) P-C4' energy: -57.053 flat angles C4'-P-C4' energy: -63.927 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -78.882 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: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -878.182606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.182606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.182606 (E_RNA) where: Base-Base interactions energy: -588.421 where: short stacking energy: -246.372 Base-Backbone interact. energy: -0.359 local terms energy: -289.403178 where: bonds (distance) C4'-P energy: -67.702 bonds (distance) P-C4' energy: -68.258 flat angles C4'-P-C4' energy: -59.798 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -57.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -655.078567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.078567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.078567 (E_RNA) where: Base-Base interactions energy: -410.344 where: short stacking energy: -205.413 Base-Backbone interact. energy: 0.113 local terms energy: -244.848057 where: bonds (distance) C4'-P energy: -56.778 bonds (distance) P-C4' energy: -64.369 flat angles C4'-P-C4' energy: -49.178 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -31.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -494.167807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.167807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.167807 (E_RNA) where: Base-Base interactions energy: -279.690 where: short stacking energy: -170.571 Base-Backbone interact. energy: -1.817 local terms energy: -212.660610 where: bonds (distance) C4'-P energy: -52.980 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -47.865 flat angles P-C4'-P energy: -41.391 tors. eta vs tors. theta energy: -12.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -589.246049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.246049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.246049 (E_RNA) where: Base-Base interactions energy: -361.964 where: short stacking energy: -165.914 Base-Backbone interact. energy: -3.167 local terms energy: -224.114924 where: bonds (distance) C4'-P energy: -61.934 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -57.918 flat angles P-C4'-P energy: -31.608 tors. eta vs tors. theta energy: -14.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1284.706667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.706667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.706667 (E_RNA) where: Base-Base interactions energy: -906.256 where: short stacking energy: -379.162 Base-Backbone interact. energy: -1.456 local terms energy: -376.995264 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -73.908 flat angles C4'-P-C4' energy: -82.784 flat angles P-C4'-P energy: -54.215 tors. eta vs tors. theta energy: -103.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1165.443667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.443667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.443667 (E_RNA) where: Base-Base interactions energy: -810.153 where: short stacking energy: -349.102 Base-Backbone interact. energy: 1.007 local terms energy: -356.297858 where: bonds (distance) C4'-P energy: -70.991 bonds (distance) P-C4' energy: -74.492 flat angles C4'-P-C4' energy: -68.541 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -96.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1141.371229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.371229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.371229 (E_RNA) where: Base-Base interactions energy: -814.504 where: short stacking energy: -344.258 Base-Backbone interact. energy: -1.730 local terms energy: -325.136896 where: bonds (distance) C4'-P energy: -60.528 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -74.109 flat angles P-C4'-P energy: -35.974 tors. eta vs tors. theta energy: -87.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1139.817209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.817209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.817209 (E_RNA) where: Base-Base interactions energy: -813.418 where: short stacking energy: -334.745 Base-Backbone interact. energy: -0.114 local terms energy: -326.284719 where: bonds (distance) C4'-P energy: -57.095 bonds (distance) P-C4' energy: -69.325 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -52.675 tors. eta vs tors. theta energy: -78.673 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: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1042.222188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.222188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.222188 (E_RNA) where: Base-Base interactions energy: -721.124 where: short stacking energy: -300.861 Base-Backbone interact. energy: -1.766 local terms energy: -319.331929 where: bonds (distance) C4'-P energy: -61.431 bonds (distance) P-C4' energy: -67.433 flat angles C4'-P-C4' energy: -68.686 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -74.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -963.562084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.562084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.562084 (E_RNA) where: Base-Base interactions energy: -648.082 where: short stacking energy: -270.349 Base-Backbone interact. energy: -0.122 local terms energy: -315.358223 where: bonds (distance) C4'-P energy: -65.694 bonds (distance) P-C4' energy: -59.913 flat angles C4'-P-C4' energy: -73.761 flat angles P-C4'-P energy: -45.550 tors. eta vs tors. theta energy: -70.440 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: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -876.499981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.499981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.499981 (E_RNA) where: Base-Base interactions energy: -620.933 where: short stacking energy: -240.730 Base-Backbone interact. energy: 0.232 local terms energy: -255.799084 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -52.426 flat angles C4'-P-C4' energy: -54.418 flat angles P-C4'-P energy: -38.891 tors. eta vs tors. theta energy: -49.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -676.122633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.122633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.122633 (E_RNA) where: Base-Base interactions energy: -397.741 where: short stacking energy: -201.419 Base-Backbone interact. energy: -0.688 local terms energy: -277.693630 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -61.358 flat angles C4'-P-C4' energy: -67.509 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -48.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -506.145684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.145684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.145684 (E_RNA) where: Base-Base interactions energy: -261.965 where: short stacking energy: -149.318 Base-Backbone interact. energy: -0.958 local terms energy: -243.223166 where: bonds (distance) C4'-P energy: -55.718 bonds (distance) P-C4' energy: -64.801 flat angles C4'-P-C4' energy: -61.979 flat angles P-C4'-P energy: -37.447 tors. eta vs tors. theta energy: -23.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -591.793327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.793327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.793327 (E_RNA) where: Base-Base interactions energy: -367.052 where: short stacking energy: -164.292 Base-Backbone interact. energy: 1.900 local terms energy: -226.641485 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -67.134 flat angles C4'-P-C4' energy: -38.227 flat angles P-C4'-P energy: -41.809 tors. eta vs tors. theta energy: -19.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1267.409513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.409513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.409513 (E_RNA) where: Base-Base interactions energy: -896.982 where: short stacking energy: -389.683 Base-Backbone interact. energy: -1.404 local terms energy: -369.022823 where: bonds (distance) C4'-P energy: -62.145 bonds (distance) P-C4' energy: -66.020 flat angles C4'-P-C4' energy: -80.594 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -106.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1175.540624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.540624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.540624 (E_RNA) where: Base-Base interactions energy: -806.038 where: short stacking energy: -354.271 Base-Backbone interact. energy: 1.963 local terms energy: -371.465058 where: bonds (distance) C4'-P energy: -65.852 bonds (distance) P-C4' energy: -78.118 flat angles C4'-P-C4' energy: -78.622 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -92.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1167.867734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.867734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.867734 (E_RNA) where: Base-Base interactions energy: -835.294 where: short stacking energy: -338.549 Base-Backbone interact. energy: -0.885 local terms energy: -331.688988 where: bonds (distance) C4'-P energy: -58.392 bonds (distance) P-C4' energy: -71.716 flat angles C4'-P-C4' energy: -68.680 flat angles P-C4'-P energy: -47.739 tors. eta vs tors. theta energy: -85.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1150.795441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.795441 (E_RNA) where: Base-Base interactions energy: -780.564 where: short stacking energy: -336.308 Base-Backbone interact. energy: -1.191 local terms energy: -369.040392 where: bonds (distance) C4'-P energy: -82.701 bonds (distance) P-C4' energy: -66.263 flat angles C4'-P-C4' energy: -76.225 flat angles P-C4'-P energy: -55.113 tors. eta vs tors. theta energy: -88.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1041.722959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.722959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.722959 (E_RNA) where: Base-Base interactions energy: -717.191 where: short stacking energy: -316.411 Base-Backbone interact. energy: -1.379 local terms energy: -323.152769 where: bonds (distance) C4'-P energy: -56.755 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -71.603 flat angles P-C4'-P energy: -46.659 tors. eta vs tors. theta energy: -91.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -949.441252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.441252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.441252 (E_RNA) where: Base-Base interactions energy: -664.582 where: short stacking energy: -281.444 Base-Backbone interact. energy: 2.310 local terms energy: -287.168820 where: bonds (distance) C4'-P energy: -65.087 bonds (distance) P-C4' energy: -65.069 flat angles C4'-P-C4' energy: -46.113 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -69.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -902.363535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.363535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.363535 (E_RNA) where: Base-Base interactions energy: -622.118 where: short stacking energy: -252.878 Base-Backbone interact. energy: -2.183 local terms energy: -278.062731 where: bonds (distance) C4'-P energy: -48.815 bonds (distance) P-C4' energy: -61.842 flat angles C4'-P-C4' energy: -65.694 flat angles P-C4'-P energy: -45.023 tors. eta vs tors. theta energy: -56.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -643.628209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.628209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.628209 (E_RNA) where: Base-Base interactions energy: -396.074 where: short stacking energy: -197.531 Base-Backbone interact. energy: -1.119 local terms energy: -246.435214 where: bonds (distance) C4'-P energy: -53.844 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -35.048 tors. eta vs tors. theta energy: -35.670 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: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -648.396035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.396035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.396035 (E_RNA) where: Base-Base interactions energy: -390.984 where: short stacking energy: -196.152 Base-Backbone interact. energy: 1.999 local terms energy: -259.410873 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -68.627 flat angles C4'-P-C4' energy: -53.785 flat angles P-C4'-P energy: -31.680 tors. eta vs tors. theta energy: -40.562 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: 58 Temperature: 1.350000 Total energy: -466.066426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.066426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.066426 (E_RNA) where: Base-Base interactions energy: -265.252 where: short stacking energy: -140.685 Base-Backbone interact. energy: -2.635 local terms energy: -198.179626 where: bonds (distance) C4'-P energy: -50.330 bonds (distance) P-C4' energy: -54.200 flat angles C4'-P-C4' energy: -43.862 flat angles P-C4'-P energy: -35.582 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1272.375063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.375063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.375063 (E_RNA) where: Base-Base interactions energy: -901.105 where: short stacking energy: -384.366 Base-Backbone interact. energy: -0.942 local terms energy: -370.328579 where: bonds (distance) C4'-P energy: -62.116 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -76.882 flat angles P-C4'-P energy: -57.475 tors. eta vs tors. theta energy: -106.410 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: 59 Temperature: 0.950000 Total energy: -1188.436231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.436231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.436231 (E_RNA) where: Base-Base interactions energy: -834.478 where: short stacking energy: -361.486 Base-Backbone interact. energy: -2.461 local terms energy: -351.496428 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -73.472 flat angles C4'-P-C4' energy: -75.919 flat angles P-C4'-P energy: -47.457 tors. eta vs tors. theta energy: -98.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1181.899783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.899783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.899783 (E_RNA) where: Base-Base interactions energy: -841.519 where: short stacking energy: -355.802 Base-Backbone interact. energy: -1.322 local terms energy: -339.059093 where: bonds (distance) C4'-P energy: -53.778 bonds (distance) P-C4' energy: -70.741 flat angles C4'-P-C4' energy: -65.288 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -98.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1056.527651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.527651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.527651 (E_RNA) where: Base-Base interactions energy: -722.564 where: short stacking energy: -338.261 Base-Backbone interact. energy: -1.266 local terms energy: -332.697090 where: bonds (distance) C4'-P energy: -56.055 bonds (distance) P-C4' energy: -67.921 flat angles C4'-P-C4' energy: -71.182 flat angles P-C4'-P energy: -49.155 tors. eta vs tors. theta energy: -88.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1101.543232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.543232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.543232 (E_RNA) where: Base-Base interactions energy: -777.647 where: short stacking energy: -309.304 Base-Backbone interact. energy: -2.037 local terms energy: -321.858932 where: bonds (distance) C4'-P energy: -60.787 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -73.699 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: -85.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1003.990514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.990514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.990514 (E_RNA) where: Base-Base interactions energy: -723.588 where: short stacking energy: -285.188 Base-Backbone interact. energy: -0.304 local terms energy: -280.098136 where: bonds (distance) C4'-P energy: -42.803 bonds (distance) P-C4' energy: -59.649 flat angles C4'-P-C4' energy: -75.089 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -62.506 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: 59 Temperature: 1.200000 Total energy: -889.812850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.812850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.812850 (E_RNA) where: Base-Base interactions energy: -608.979 where: short stacking energy: -270.639 Base-Backbone interact. energy: -1.202 local terms energy: -279.632341 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -62.878 flat angles P-C4'-P energy: -31.514 tors. eta vs tors. theta energy: -63.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -739.354772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.354772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.354772 (E_RNA) where: Base-Base interactions energy: -495.356 where: short stacking energy: -238.477 Base-Backbone interact. energy: -0.716 local terms energy: -243.282476 where: bonds (distance) C4'-P energy: -52.996 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -46.184 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -43.017 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: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -650.547434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.547434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.547434 (E_RNA) where: Base-Base interactions energy: -402.231 where: short stacking energy: -189.171 Base-Backbone interact. energy: -1.234 local terms energy: -247.081640 where: bonds (distance) C4'-P energy: -61.083 bonds (distance) P-C4' energy: -71.749 flat angles C4'-P-C4' energy: -57.529 flat angles P-C4'-P energy: -22.197 tors. eta vs tors. theta energy: -34.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -465.798315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.798315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.798315 (E_RNA) where: Base-Base interactions energy: -258.466 where: short stacking energy: -155.791 Base-Backbone interact. energy: -0.719 local terms energy: -206.612521 where: bonds (distance) C4'-P energy: -47.103 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -48.568 flat angles P-C4'-P energy: -34.660 tors. eta vs tors. theta energy: -23.797 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: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1208.342919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.342919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.342919 (E_RNA) where: Base-Base interactions energy: -833.462 where: short stacking energy: -355.645 Base-Backbone interact. energy: -0.015 local terms energy: -374.865909 where: bonds (distance) C4'-P energy: -72.119 bonds (distance) P-C4' energy: -69.293 flat angles C4'-P-C4' energy: -80.114 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -99.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1239.153657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.153657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.153657 (E_RNA) where: Base-Base interactions energy: -873.196 where: short stacking energy: -373.900 Base-Backbone interact. energy: -1.909 local terms energy: -364.048439 where: bonds (distance) C4'-P energy: -57.492 bonds (distance) P-C4' energy: -72.537 flat angles C4'-P-C4' energy: -74.923 flat angles P-C4'-P energy: -57.406 tors. eta vs tors. theta energy: -101.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1186.882184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.882184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.882184 (E_RNA) where: Base-Base interactions energy: -843.494 where: short stacking energy: -336.364 Base-Backbone interact. energy: -0.306 local terms energy: -343.082061 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -62.942 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -44.253 tors. eta vs tors. theta energy: -92.510 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: 4, replica: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1069.584212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.584212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.584212 (E_RNA) where: Base-Base interactions energy: -743.906 where: short stacking energy: -340.693 Base-Backbone interact. energy: -2.350 local terms energy: -323.327786 where: bonds (distance) C4'-P energy: -59.782 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -67.810 flat angles P-C4'-P energy: -41.919 tors. eta vs tors. theta energy: -88.096 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: 8 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1095.333919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.333919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.333919 (E_RNA) where: Base-Base interactions energy: -789.264 where: short stacking energy: -310.966 Base-Backbone interact. energy: 0.698 local terms energy: -306.767457 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -66.295 flat angles C4'-P-C4' energy: -69.862 flat angles P-C4'-P energy: -30.632 tors. eta vs tors. theta energy: -80.532 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: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -992.367175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.367175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.367175 (E_RNA) where: Base-Base interactions energy: -694.666 where: short stacking energy: -305.350 Base-Backbone interact. energy: -1.622 local terms energy: -296.079076 where: bonds (distance) C4'-P energy: -53.067 bonds (distance) P-C4' energy: -54.823 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -49.295 tors. eta vs tors. theta energy: -68.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -936.793042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.793042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.793042 (E_RNA) where: Base-Base interactions energy: -647.592 where: short stacking energy: -280.465 Base-Backbone interact. energy: -1.214 local terms energy: -287.986517 where: bonds (distance) C4'-P energy: -48.051 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -45.812 tors. eta vs tors. theta energy: -67.598 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: 2 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -722.035828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.035828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.035828 (E_RNA) where: Base-Base interactions energy: -470.211 where: short stacking energy: -215.393 Base-Backbone interact. energy: -0.957 local terms energy: -250.867843 where: bonds (distance) C4'-P energy: -59.008 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -51.603 flat angles P-C4'-P energy: -32.841 tors. eta vs tors. theta energy: -46.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -628.834716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.834716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.834716 (E_RNA) where: Base-Base interactions energy: -398.356 where: short stacking energy: -187.569 Base-Backbone interact. energy: -0.398 local terms energy: -230.080704 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -49.097 flat angles C4'-P-C4' energy: -52.990 flat angles P-C4'-P energy: -35.800 tors. eta vs tors. theta energy: -26.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -441.656645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.656645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.656645 (E_RNA) where: Base-Base interactions energy: -251.657 where: short stacking energy: -130.157 Base-Backbone interact. energy: 0.401 local terms energy: -190.400439 where: bonds (distance) C4'-P energy: -50.490 bonds (distance) P-C4' energy: -50.671 flat angles C4'-P-C4' energy: -60.105 flat angles P-C4'-P energy: -26.582 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1190.597804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.597804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.597804 (E_RNA) where: Base-Base interactions energy: -827.619 where: short stacking energy: -349.680 Base-Backbone interact. energy: -0.827 local terms energy: -362.152215 where: bonds (distance) C4'-P energy: -65.332 bonds (distance) P-C4' energy: -67.552 flat angles C4'-P-C4' energy: -80.429 flat angles P-C4'-P energy: -54.167 tors. eta vs tors. theta energy: -94.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1235.188476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.188476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.188476 (E_RNA) where: Base-Base interactions energy: -873.711 where: short stacking energy: -382.808 Base-Backbone interact. energy: 1.729 local terms energy: -363.206182 where: bonds (distance) C4'-P energy: -57.134 bonds (distance) P-C4' energy: -58.326 flat angles C4'-P-C4' energy: -85.904 flat angles P-C4'-P energy: -55.762 tors. eta vs tors. theta energy: -106.080 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: 3, replica: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1160.058848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.058848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.058848 (E_RNA) where: Base-Base interactions energy: -818.382 where: short stacking energy: -347.904 Base-Backbone interact. energy: -0.070 local terms energy: -341.607391 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -64.429 flat angles C4'-P-C4' energy: -74.772 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -94.456 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: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1113.519976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.519976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.519976 (E_RNA) where: Base-Base interactions energy: -774.102 where: short stacking energy: -352.605 Base-Backbone interact. energy: -1.678 local terms energy: -337.739969 where: bonds (distance) C4'-P energy: -58.534 bonds (distance) P-C4' energy: -60.839 flat angles C4'-P-C4' energy: -71.109 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -98.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1026.413397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.413397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.413397 (E_RNA) where: Base-Base interactions energy: -711.994 where: short stacking energy: -305.083 Base-Backbone interact. energy: 0.797 local terms energy: -315.216767 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -69.631 flat angles P-C4'-P energy: -42.438 tors. eta vs tors. theta energy: -78.236 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -956.839987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.839987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.839987 (E_RNA) where: Base-Base interactions energy: -667.472 where: short stacking energy: -275.390 Base-Backbone interact. energy: -0.970 local terms energy: -288.397799 where: bonds (distance) C4'-P energy: -54.950 bonds (distance) P-C4' energy: -66.170 flat angles C4'-P-C4' energy: -67.942 flat angles P-C4'-P energy: -33.613 tors. eta vs tors. theta energy: -65.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -942.241891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.241891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.241891 (E_RNA) where: Base-Base interactions energy: -630.114 where: short stacking energy: -275.096 Base-Backbone interact. energy: -2.031 local terms energy: -310.096934 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -70.658 flat angles P-C4'-P energy: -41.912 tors. eta vs tors. theta energy: -75.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -668.345450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.345450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.345450 (E_RNA) where: Base-Base interactions energy: -425.097 where: short stacking energy: -192.420 Base-Backbone interact. energy: -1.184 local terms energy: -242.064566 where: bonds (distance) C4'-P energy: -64.912 bonds (distance) P-C4' energy: -66.641 flat angles C4'-P-C4' energy: -58.318 flat angles P-C4'-P energy: -29.045 tors. eta vs tors. theta energy: -23.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -621.451491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.451491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.451491 (E_RNA) where: Base-Base interactions energy: -370.892 where: short stacking energy: -177.305 Base-Backbone interact. energy: 2.940 local terms energy: -253.499571 where: bonds (distance) C4'-P energy: -67.281 bonds (distance) P-C4' energy: -53.108 flat angles C4'-P-C4' energy: -66.096 flat angles P-C4'-P energy: -41.127 tors. eta vs tors. theta energy: -25.887 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: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -523.228670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.228670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.228670 (E_RNA) where: Base-Base interactions energy: -286.892 where: short stacking energy: -153.297 Base-Backbone interact. energy: 0.607 local terms energy: -236.944304 where: bonds (distance) C4'-P energy: -52.273 bonds (distance) P-C4' energy: -64.271 flat angles C4'-P-C4' energy: -57.732 flat angles P-C4'-P energy: -35.538 tors. eta vs tors. theta energy: -27.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1263.619048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.619048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.619048 (E_RNA) where: Base-Base interactions energy: -897.199 where: short stacking energy: -383.991 Base-Backbone interact. energy: -0.697 local terms energy: -365.722443 where: bonds (distance) C4'-P energy: -66.837 bonds (distance) P-C4' energy: -73.688 flat angles C4'-P-C4' energy: -73.140 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -96.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1178.967522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.967522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.967522 (E_RNA) where: Base-Base interactions energy: -807.990 where: short stacking energy: -345.754 Base-Backbone interact. energy: -1.887 local terms energy: -369.090421 where: bonds (distance) C4'-P energy: -66.651 bonds (distance) P-C4' energy: -71.971 flat angles C4'-P-C4' energy: -74.826 flat angles P-C4'-P energy: -58.103 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: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1169.886543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.886543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.886543 (E_RNA) where: Base-Base interactions energy: -818.772 where: short stacking energy: -342.355 Base-Backbone interact. energy: 0.238 local terms energy: -351.352422 where: bonds (distance) C4'-P energy: -67.008 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -72.955 flat angles P-C4'-P energy: -53.489 tors. eta vs tors. theta energy: -93.534 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: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1139.707258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.707258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.707258 (E_RNA) where: Base-Base interactions energy: -806.072 where: short stacking energy: -328.190 Base-Backbone interact. energy: 0.886 local terms energy: -334.521742 where: bonds (distance) C4'-P energy: -64.945 bonds (distance) P-C4' energy: -62.687 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -86.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1017.707313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.707313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.707313 (E_RNA) where: Base-Base interactions energy: -711.169 where: short stacking energy: -286.043 Base-Backbone interact. energy: -1.279 local terms energy: -305.259366 where: bonds (distance) C4'-P energy: -59.359 bonds (distance) P-C4' energy: -76.315 flat angles C4'-P-C4' energy: -55.735 flat angles P-C4'-P energy: -41.709 tors. eta vs tors. theta energy: -72.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1025.073517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.073517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.073517 (E_RNA) where: Base-Base interactions energy: -722.507 where: short stacking energy: -307.561 Base-Backbone interact. energy: 3.059 local terms energy: -305.625606 where: bonds (distance) C4'-P energy: -55.648 bonds (distance) P-C4' energy: -52.982 flat angles C4'-P-C4' energy: -68.105 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -84.500 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: 5 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -914.902911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.902911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.902911 (E_RNA) where: Base-Base interactions energy: -634.237 where: short stacking energy: -283.840 Base-Backbone interact. energy: 1.195 local terms energy: -281.860678 where: bonds (distance) C4'-P energy: -58.750 bonds (distance) P-C4' energy: -62.003 flat angles C4'-P-C4' energy: -57.611 flat angles P-C4'-P energy: -29.611 tors. eta vs tors. theta energy: -73.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -647.711072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.711072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.711072 (E_RNA) where: Base-Base interactions energy: -420.193 where: short stacking energy: -214.797 Base-Backbone interact. energy: 0.227 local terms energy: -227.744920 where: bonds (distance) C4'-P energy: -53.301 bonds (distance) P-C4' energy: -43.541 flat angles C4'-P-C4' energy: -56.220 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: -37.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -662.915314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.915314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.915314 (E_RNA) where: Base-Base interactions energy: -413.106 where: short stacking energy: -195.622 Base-Backbone interact. energy: -0.852 local terms energy: -248.956610 where: bonds (distance) C4'-P energy: -58.887 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -55.663 flat angles P-C4'-P energy: -36.293 tors. eta vs tors. theta energy: -35.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -530.867739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.867739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.867739 (E_RNA) where: Base-Base interactions energy: -292.093 where: short stacking energy: -151.350 Base-Backbone interact. energy: -1.322 local terms energy: -237.452425 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -63.023 flat angles P-C4'-P energy: -39.650 tors. eta vs tors. theta energy: -11.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1262.239735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.239735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.239735 (E_RNA) where: Base-Base interactions energy: -880.610 where: short stacking energy: -381.659 Base-Backbone interact. energy: 0.610 local terms energy: -382.239110 where: bonds (distance) C4'-P energy: -76.044 bonds (distance) P-C4' energy: -71.670 flat angles C4'-P-C4' energy: -71.436 flat angles P-C4'-P energy: -53.650 tors. eta vs tors. theta energy: -109.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1182.133329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.133329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.133329 (E_RNA) where: Base-Base interactions energy: -819.907 where: short stacking energy: -349.731 Base-Backbone interact. energy: -2.542 local terms energy: -359.684588 where: bonds (distance) C4'-P energy: -63.702 bonds (distance) P-C4' energy: -63.989 flat angles C4'-P-C4' energy: -77.335 flat angles P-C4'-P energy: -51.350 tors. eta vs tors. theta energy: -103.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1155.471453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.471453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.471453 (E_RNA) where: Base-Base interactions energy: -810.875 where: short stacking energy: -326.481 Base-Backbone interact. energy: -1.091 local terms energy: -343.505652 where: bonds (distance) C4'-P energy: -66.605 bonds (distance) P-C4' energy: -72.430 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -50.007 tors. eta vs tors. theta energy: -84.495 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: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1126.206120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.206120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.206120 (E_RNA) where: Base-Base interactions energy: -796.728 where: short stacking energy: -330.177 Base-Backbone interact. energy: 3.088 local terms energy: -332.565624 where: bonds (distance) C4'-P energy: -71.132 bonds (distance) P-C4' energy: -62.595 flat angles C4'-P-C4' energy: -67.679 flat angles P-C4'-P energy: -43.791 tors. eta vs tors. theta energy: -87.370 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: 63 Temperature: 1.100000 Total energy: -1038.674257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.674257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.674257 (E_RNA) where: Base-Base interactions energy: -720.748 where: short stacking energy: -299.204 Base-Backbone interact. energy: -1.696 local terms energy: -316.230511 where: bonds (distance) C4'-P energy: -60.983 bonds (distance) P-C4' energy: -61.958 flat angles C4'-P-C4' energy: -73.135 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -74.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -999.520949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.520949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.520949 (E_RNA) where: Base-Base interactions energy: -685.720 where: short stacking energy: -316.530 Base-Backbone interact. energy: -1.213 local terms energy: -312.587355 where: bonds (distance) C4'-P energy: -58.563 bonds (distance) P-C4' energy: -60.152 flat angles C4'-P-C4' energy: -61.157 flat angles P-C4'-P energy: -42.216 tors. eta vs tors. theta energy: -90.500 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: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -887.445329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.445329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.445329 (E_RNA) where: Base-Base interactions energy: -602.356 where: short stacking energy: -272.072 Base-Backbone interact. energy: -2.527 local terms energy: -282.561863 where: bonds (distance) C4'-P energy: -62.521 bonds (distance) P-C4' energy: -52.761 flat angles C4'-P-C4' energy: -65.932 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: -63.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -607.763015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.763015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.763015 (E_RNA) where: Base-Base interactions energy: -378.296 where: short stacking energy: -197.785 Base-Backbone interact. energy: 0.372 local terms energy: -229.839487 where: bonds (distance) C4'-P energy: -55.305 bonds (distance) P-C4' energy: -59.889 flat angles C4'-P-C4' energy: -45.241 flat angles P-C4'-P energy: -31.526 tors. eta vs tors. theta energy: -37.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -609.328415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.328415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.328415 (E_RNA) where: Base-Base interactions energy: -369.338 where: short stacking energy: -173.904 Base-Backbone interact. energy: -1.906 local terms energy: -238.083976 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -64.002 flat angles C4'-P-C4' energy: -44.089 flat angles P-C4'-P energy: -45.355 tors. eta vs tors. theta energy: -27.259 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: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -446.237627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.237627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.237627 (E_RNA) where: Base-Base interactions energy: -232.049 where: short stacking energy: -132.351 Base-Backbone interact. energy: -1.148 local terms energy: -213.040036 where: bonds (distance) C4'-P energy: -56.758 bonds (distance) P-C4' energy: -58.362 flat angles C4'-P-C4' energy: -43.661 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1273.483779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.483779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.483779 (E_RNA) where: Base-Base interactions energy: -890.601 where: short stacking energy: -398.023 Base-Backbone interact. energy: -0.952 local terms energy: -381.931277 where: bonds (distance) C4'-P energy: -68.948 bonds (distance) P-C4' energy: -66.384 flat angles C4'-P-C4' energy: -77.477 flat angles P-C4'-P energy: -56.673 tors. eta vs tors. theta energy: -112.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1175.386530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.386530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.386530 (E_RNA) where: Base-Base interactions energy: -815.700 where: short stacking energy: -366.037 Base-Backbone interact. energy: -1.850 local terms energy: -357.836469 where: bonds (distance) C4'-P energy: -64.883 bonds (distance) P-C4' energy: -67.193 flat angles C4'-P-C4' energy: -77.604 flat angles P-C4'-P energy: -41.453 tors. eta vs tors. theta energy: -106.703 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: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1177.658275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.658275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.658275 (E_RNA) where: Base-Base interactions energy: -839.049 where: short stacking energy: -345.720 Base-Backbone interact. energy: 0.760 local terms energy: -339.368808 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -65.497 flat angles C4'-P-C4' energy: -76.187 flat angles P-C4'-P energy: -33.285 tors. eta vs tors. theta energy: -101.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1125.062702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.062702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.062702 (E_RNA) where: Base-Base interactions energy: -774.170 where: short stacking energy: -327.061 Base-Backbone interact. energy: -1.015 local terms energy: -349.877757 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -68.399 flat angles C4'-P-C4' energy: -75.383 flat angles P-C4'-P energy: -58.272 tors. eta vs tors. theta energy: -84.313 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: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1058.759895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.759895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.759895 (E_RNA) where: Base-Base interactions energy: -750.235 where: short stacking energy: -310.498 Base-Backbone interact. energy: -2.219 local terms energy: -306.305883 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -77.223 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: -74.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -996.921011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.921011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.921011 (E_RNA) where: Base-Base interactions energy: -677.424 where: short stacking energy: -305.563 Base-Backbone interact. energy: -0.687 local terms energy: -318.809855 where: bonds (distance) C4'-P energy: -61.080 bonds (distance) P-C4' energy: -62.844 flat angles C4'-P-C4' energy: -69.747 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -82.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -903.508863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.508863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.508863 (E_RNA) where: Base-Base interactions energy: -616.810 where: short stacking energy: -258.976 Base-Backbone interact. energy: -3.231 local terms energy: -283.468056 where: bonds (distance) C4'-P energy: -40.535 bonds (distance) P-C4' energy: -67.873 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -39.496 tors. eta vs tors. theta energy: -70.150 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: 8, replica: 2 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -624.566022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.566022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.566022 (E_RNA) where: Base-Base interactions energy: -386.289 where: short stacking energy: -208.452 Base-Backbone interact. energy: -2.096 local terms energy: -236.181504 where: bonds (distance) C4'-P energy: -57.779 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -61.769 flat angles P-C4'-P energy: -20.180 tors. eta vs tors. theta energy: -38.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -606.579523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.579523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.579523 (E_RNA) where: Base-Base interactions energy: -386.454 where: short stacking energy: -167.240 Base-Backbone interact. energy: -0.301 local terms energy: -219.824963 where: bonds (distance) C4'-P energy: -45.389 bonds (distance) P-C4' energy: -54.398 flat angles C4'-P-C4' energy: -48.729 flat angles P-C4'-P energy: -41.003 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: 10, replica: 1 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -425.178665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.178665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.178665 (E_RNA) where: Base-Base interactions energy: -225.923 where: short stacking energy: -129.093 Base-Backbone interact. energy: 5.992 local terms energy: -205.247188 where: bonds (distance) C4'-P energy: -53.994 bonds (distance) P-C4' energy: -66.305 flat angles C4'-P-C4' energy: -57.646 flat angles P-C4'-P energy: -19.213 tors. eta vs tors. theta energy: -8.089 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: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1237.533203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.533203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.533203 (E_RNA) where: Base-Base interactions energy: -866.134 where: short stacking energy: -356.429 Base-Backbone interact. energy: -0.479 local terms energy: -370.920995 where: bonds (distance) C4'-P energy: -72.614 bonds (distance) P-C4' energy: -63.939 flat angles C4'-P-C4' energy: -85.584 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -97.379 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: 3 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1187.646468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.646468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.646468 (E_RNA) where: Base-Base interactions energy: -827.218 where: short stacking energy: -326.203 Base-Backbone interact. energy: -2.911 local terms energy: -357.516901 where: bonds (distance) C4'-P energy: -77.024 bonds (distance) P-C4' energy: -72.928 flat angles C4'-P-C4' energy: -70.069 flat angles P-C4'-P energy: -46.285 tors. eta vs tors. theta energy: -91.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1147.676002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.676002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.676002 (E_RNA) where: Base-Base interactions energy: -794.992 where: short stacking energy: -343.503 Base-Backbone interact. energy: 0.393 local terms energy: -353.077279 where: bonds (distance) C4'-P energy: -70.243 bonds (distance) P-C4' energy: -62.393 flat angles C4'-P-C4' energy: -68.203 flat angles P-C4'-P energy: -56.520 tors. eta vs tors. theta energy: -95.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1122.703159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.703159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.703159 (E_RNA) where: Base-Base interactions energy: -786.962 where: short stacking energy: -350.461 Base-Backbone interact. energy: 0.529 local terms energy: -336.270682 where: bonds (distance) C4'-P energy: -51.379 bonds (distance) P-C4' energy: -72.345 flat angles C4'-P-C4' energy: -70.292 flat angles P-C4'-P energy: -48.508 tors. eta vs tors. theta energy: -93.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1043.415524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.415524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.415524 (E_RNA) where: Base-Base interactions energy: -709.460 where: short stacking energy: -284.458 Base-Backbone interact. energy: -0.779 local terms energy: -333.176649 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -44.117 tors. eta vs tors. theta energy: -73.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -993.369882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.369882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.369882 (E_RNA) where: Base-Base interactions energy: -690.739 where: short stacking energy: -284.793 Base-Backbone interact. energy: -2.213 local terms energy: -300.418147 where: bonds (distance) C4'-P energy: -56.977 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -62.215 flat angles P-C4'-P energy: -43.395 tors. eta vs tors. theta energy: -78.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -870.081578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.081578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.081578 (E_RNA) where: Base-Base interactions energy: -597.663 where: short stacking energy: -254.357 Base-Backbone interact. energy: -0.751 local terms energy: -271.667706 where: bonds (distance) C4'-P energy: -58.403 bonds (distance) P-C4' energy: -60.218 flat angles C4'-P-C4' energy: -65.728 flat angles P-C4'-P energy: -30.374 tors. eta vs tors. theta energy: -56.945 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: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -696.974914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.974914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.974914 (E_RNA) where: Base-Base interactions energy: -440.951 where: short stacking energy: -185.106 Base-Backbone interact. energy: -0.132 local terms energy: -255.892102 where: bonds (distance) C4'-P energy: -54.352 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -59.427 flat angles P-C4'-P energy: -42.716 tors. eta vs tors. theta energy: -30.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -603.740956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.740956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.740956 (E_RNA) where: Base-Base interactions energy: -375.713 where: short stacking energy: -166.131 Base-Backbone interact. energy: 0.965 local terms energy: -228.993118 where: bonds (distance) C4'-P energy: -59.831 bonds (distance) P-C4' energy: -41.515 flat angles C4'-P-C4' energy: -54.738 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -29.826 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: 65 Temperature: 1.350000 Total energy: -474.665940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.665940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.665940 (E_RNA) where: Base-Base interactions energy: -269.272 where: short stacking energy: -110.899 Base-Backbone interact. energy: 1.338 local terms energy: -206.731647 where: bonds (distance) C4'-P energy: -53.092 bonds (distance) P-C4' energy: -61.631 flat angles C4'-P-C4' energy: -55.403 flat angles P-C4'-P energy: -28.148 tors. eta vs tors. theta energy: -8.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1263.307177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.307177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.307177 (E_RNA) where: Base-Base interactions energy: -891.265 where: short stacking energy: -386.780 Base-Backbone interact. energy: -0.924 local terms energy: -371.118553 where: bonds (distance) C4'-P energy: -71.173 bonds (distance) P-C4' energy: -64.051 flat angles C4'-P-C4' energy: -75.891 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -111.281 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: 3 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1196.249022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.249022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.249022 (E_RNA) where: Base-Base interactions energy: -838.577 where: short stacking energy: -344.219 Base-Backbone interact. energy: -2.732 local terms energy: -354.940112 where: bonds (distance) C4'-P energy: -59.819 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -78.175 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -97.498 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: 8 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1158.118805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.118805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.118805 (E_RNA) where: Base-Base interactions energy: -793.405 where: short stacking energy: -346.865 Base-Backbone interact. energy: -0.653 local terms energy: -364.060992 where: bonds (distance) C4'-P energy: -74.016 bonds (distance) P-C4' energy: -67.977 flat angles C4'-P-C4' energy: -77.383 flat angles P-C4'-P energy: -49.791 tors. eta vs tors. theta energy: -94.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1138.452036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.452036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.452036 (E_RNA) where: Base-Base interactions energy: -805.495 where: short stacking energy: -333.754 Base-Backbone interact. energy: -1.674 local terms energy: -331.282663 where: bonds (distance) C4'-P energy: -59.011 bonds (distance) P-C4' energy: -62.176 flat angles C4'-P-C4' energy: -72.956 flat angles P-C4'-P energy: -46.670 tors. eta vs tors. theta energy: -90.470 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: 5, replica: 7 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1078.263653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.263653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.263653 (E_RNA) where: Base-Base interactions energy: -753.471 where: short stacking energy: -322.593 Base-Backbone interact. energy: 1.772 local terms energy: -326.564658 where: bonds (distance) C4'-P energy: -60.827 bonds (distance) P-C4' energy: -61.885 flat angles C4'-P-C4' energy: -73.052 flat angles P-C4'-P energy: -52.940 tors. eta vs tors. theta energy: -77.860 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: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1042.686992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.686992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.686992 (E_RNA) where: Base-Base interactions energy: -728.604 where: short stacking energy: -289.093 Base-Backbone interact. energy: -1.083 local terms energy: -313.000290 where: bonds (distance) C4'-P energy: -54.763 bonds (distance) P-C4' energy: -61.522 flat angles C4'-P-C4' energy: -74.182 flat angles P-C4'-P energy: -52.374 tors. eta vs tors. theta energy: -70.159 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: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -824.138705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.138705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.138705 (E_RNA) where: Base-Base interactions energy: -530.313 where: short stacking energy: -252.945 Base-Backbone interact. energy: -2.062 local terms energy: -291.764461 where: bonds (distance) C4'-P energy: -56.914 bonds (distance) P-C4' energy: -68.349 flat angles C4'-P-C4' energy: -64.854 flat angles P-C4'-P energy: -45.457 tors. eta vs tors. theta energy: -56.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -755.357739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.357739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.357739 (E_RNA) where: Base-Base interactions energy: -503.755 where: short stacking energy: -225.335 Base-Backbone interact. energy: -0.273 local terms energy: -251.329932 where: bonds (distance) C4'-P energy: -60.352 bonds (distance) P-C4' energy: -60.626 flat angles C4'-P-C4' energy: -53.612 flat angles P-C4'-P energy: -26.538 tors. eta vs tors. theta energy: -50.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -510.675394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.675394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.675394 (E_RNA) where: Base-Base interactions energy: -281.723 where: short stacking energy: -159.979 Base-Backbone interact. energy: -1.019 local terms energy: -227.933502 where: bonds (distance) C4'-P energy: -58.848 bonds (distance) P-C4' energy: -51.099 flat angles C4'-P-C4' energy: -49.118 flat angles P-C4'-P energy: -45.334 tors. eta vs tors. theta energy: -23.535 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: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -542.329783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.329783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.329783 (E_RNA) where: Base-Base interactions energy: -327.225 where: short stacking energy: -167.941 Base-Backbone interact. energy: 4.189 local terms energy: -219.293871 where: bonds (distance) C4'-P energy: -56.677 bonds (distance) P-C4' energy: -58.352 flat angles C4'-P-C4' energy: -62.312 flat angles P-C4'-P energy: -30.527 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1263.521482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.521482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.521482 (E_RNA) where: Base-Base interactions energy: -886.204 where: short stacking energy: -386.822 Base-Backbone interact. energy: -0.668 local terms energy: -376.650238 where: bonds (distance) C4'-P energy: -67.511 bonds (distance) P-C4' energy: -71.300 flat angles C4'-P-C4' energy: -82.242 flat angles P-C4'-P energy: -46.467 tors. eta vs tors. theta energy: -109.130 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: 8 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1169.981020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.981020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.981020 (E_RNA) where: Base-Base interactions energy: -806.913 where: short stacking energy: -327.921 Base-Backbone interact. energy: 1.488 local terms energy: -364.556675 where: bonds (distance) C4'-P energy: -72.333 bonds (distance) P-C4' energy: -80.822 flat angles C4'-P-C4' energy: -76.775 flat angles P-C4'-P energy: -51.354 tors. eta vs tors. theta energy: -83.272 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: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1186.651661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.651661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.651661 (E_RNA) where: Base-Base interactions energy: -850.444 where: short stacking energy: -354.581 Base-Backbone interact. energy: -0.523 local terms energy: -335.685112 where: bonds (distance) C4'-P energy: -59.973 bonds (distance) P-C4' energy: -58.559 flat angles C4'-P-C4' energy: -83.447 flat angles P-C4'-P energy: -39.258 tors. eta vs tors. theta energy: -94.448 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: 9 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1140.203875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.203875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.203875 (E_RNA) where: Base-Base interactions energy: -799.229 where: short stacking energy: -328.443 Base-Backbone interact. energy: -1.705 local terms energy: -339.270032 where: bonds (distance) C4'-P energy: -68.545 bonds (distance) P-C4' energy: -48.047 flat angles C4'-P-C4' energy: -76.115 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -98.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1054.535817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.535817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.535817 (E_RNA) where: Base-Base interactions energy: -737.596 where: short stacking energy: -311.365 Base-Backbone interact. energy: 0.126 local terms energy: -317.065641 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -69.177 flat angles C4'-P-C4' energy: -59.656 flat angles P-C4'-P energy: -47.717 tors. eta vs tors. theta energy: -82.122 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: 6, replica: 6 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1081.230704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.230704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.230704 (E_RNA) where: Base-Base interactions energy: -768.738 where: short stacking energy: -312.691 Base-Backbone interact. energy: -1.737 local terms energy: -310.755906 where: bonds (distance) C4'-P energy: -49.310 bonds (distance) P-C4' energy: -62.086 flat angles C4'-P-C4' energy: -69.147 flat angles P-C4'-P energy: -56.490 tors. eta vs tors. theta energy: -73.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -814.550686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.550686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.550686 (E_RNA) where: Base-Base interactions energy: -552.551 where: short stacking energy: -240.545 Base-Backbone interact. energy: -2.784 local terms energy: -259.215684 where: bonds (distance) C4'-P energy: -50.041 bonds (distance) P-C4' energy: -67.118 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -27.285 tors. eta vs tors. theta energy: -47.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -757.306148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.306148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.306148 (E_RNA) where: Base-Base interactions energy: -507.278 where: short stacking energy: -220.375 Base-Backbone interact. energy: 0.902 local terms energy: -250.930740 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -65.112 flat angles C4'-P-C4' energy: -41.315 flat angles P-C4'-P energy: -39.804 tors. eta vs tors. theta energy: -43.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -542.836001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.836001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.836001 (E_RNA) where: Base-Base interactions energy: -333.023 where: short stacking energy: -175.685 Base-Backbone interact. energy: -0.349 local terms energy: -209.464506 where: bonds (distance) C4'-P energy: -57.240 bonds (distance) P-C4' energy: -61.876 flat angles C4'-P-C4' energy: -37.204 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: -17.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -549.002463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.002463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.002463 (E_RNA) where: Base-Base interactions energy: -323.907 where: short stacking energy: -147.424 Base-Backbone interact. energy: 5.471 local terms energy: -230.565942 where: bonds (distance) C4'-P energy: -57.913 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -64.550 flat angles P-C4'-P energy: -29.118 tors. eta vs tors. theta energy: -26.583 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: 4 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1271.683869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.683869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.683869 (E_RNA) where: Base-Base interactions energy: -884.432 where: short stacking energy: -381.034 Base-Backbone interact. energy: -2.402 local terms energy: -384.849503 where: bonds (distance) C4'-P energy: -66.584 bonds (distance) P-C4' energy: -74.574 flat angles C4'-P-C4' energy: -77.854 flat angles P-C4'-P energy: -56.735 tors. eta vs tors. theta energy: -109.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1159.354383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.354383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.354383 (E_RNA) where: Base-Base interactions energy: -811.684 where: short stacking energy: -339.475 Base-Backbone interact. energy: 1.100 local terms energy: -348.769932 where: bonds (distance) C4'-P energy: -57.921 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -72.646 flat angles P-C4'-P energy: -54.175 tors. eta vs tors. theta energy: -90.392 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: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1189.363725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.363725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.363725 (E_RNA) where: Base-Base interactions energy: -839.128 where: short stacking energy: -339.036 Base-Backbone interact. energy: -2.483 local terms energy: -347.752816 where: bonds (distance) C4'-P energy: -60.716 bonds (distance) P-C4' energy: -69.958 flat angles C4'-P-C4' energy: -78.086 flat angles P-C4'-P energy: -46.190 tors. eta vs tors. theta energy: -92.803 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: 4, replica: 9 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1112.442678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.442678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.442678 (E_RNA) where: Base-Base interactions energy: -781.497 where: short stacking energy: -337.490 Base-Backbone interact. energy: -1.751 local terms energy: -329.194540 where: bonds (distance) C4'-P energy: -52.726 bonds (distance) P-C4' energy: -59.474 flat angles C4'-P-C4' energy: -73.429 flat angles P-C4'-P energy: -53.086 tors. eta vs tors. theta energy: -90.479 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: 6 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1099.859222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.859222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.859222 (E_RNA) where: Base-Base interactions energy: -779.009 where: short stacking energy: -320.072 Base-Backbone interact. energy: 0.130 local terms energy: -320.980136 where: bonds (distance) C4'-P energy: -56.687 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -71.331 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -85.861 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: 6, replica: 7 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1105.592888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.592888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.592888 (E_RNA) where: Base-Base interactions energy: -786.490 where: short stacking energy: -318.769 Base-Backbone interact. energy: -0.686 local terms energy: -318.416844 where: bonds (distance) C4'-P energy: -52.872 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -73.367 flat angles P-C4'-P energy: -43.481 tors. eta vs tors. theta energy: -82.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -849.729562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.729562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.729562 (E_RNA) where: Base-Base interactions energy: -562.666 where: short stacking energy: -234.905 Base-Backbone interact. energy: -0.319 local terms energy: -286.744795 where: bonds (distance) C4'-P energy: -59.228 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -68.374 flat angles P-C4'-P energy: -43.178 tors. eta vs tors. theta energy: -55.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -757.008553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.008553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.008553 (E_RNA) where: Base-Base interactions energy: -506.025 where: short stacking energy: -228.605 Base-Backbone interact. energy: 1.830 local terms energy: -252.813700 where: bonds (distance) C4'-P energy: -45.870 bonds (distance) P-C4' energy: -51.436 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -42.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -557.039614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.039614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.039614 (E_RNA) where: Base-Base interactions energy: -322.203 where: short stacking energy: -158.513 Base-Backbone interact. energy: 2.539 local terms energy: -237.376184 where: bonds (distance) C4'-P energy: -67.844 bonds (distance) P-C4' energy: -52.907 flat angles C4'-P-C4' energy: -51.861 flat angles P-C4'-P energy: -43.646 tors. eta vs tors. theta energy: -21.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -521.271660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.271660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.271660 (E_RNA) where: Base-Base interactions energy: -298.745 where: short stacking energy: -149.875 Base-Backbone interact. energy: 6.069 local terms energy: -228.595989 where: bonds (distance) C4'-P energy: -52.326 bonds (distance) P-C4' energy: -73.515 flat angles C4'-P-C4' energy: -45.013 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -17.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1260.814372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.814372 (E_RNA) where: Base-Base interactions energy: -882.503 where: short stacking energy: -379.608 Base-Backbone interact. energy: -0.273 local terms energy: -378.037907 where: bonds (distance) C4'-P energy: -70.764 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -50.686 tors. eta vs tors. theta energy: -106.289 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: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1197.940118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.940118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.940118 (E_RNA) where: Base-Base interactions energy: -838.765 where: short stacking energy: -348.412 Base-Backbone interact. energy: -0.027 local terms energy: -359.147368 where: bonds (distance) C4'-P energy: -71.699 bonds (distance) P-C4' energy: -61.336 flat angles C4'-P-C4' energy: -80.465 flat angles P-C4'-P energy: -54.632 tors. eta vs tors. theta energy: -91.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1145.845233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.845233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.845233 (E_RNA) where: Base-Base interactions energy: -805.077 where: short stacking energy: -337.488 Base-Backbone interact. energy: -1.183 local terms energy: -339.584971 where: bonds (distance) C4'-P energy: -71.007 bonds (distance) P-C4' energy: -56.602 flat angles C4'-P-C4' energy: -73.406 flat angles P-C4'-P energy: -43.670 tors. eta vs tors. theta energy: -94.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1121.679108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.679108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.679108 (E_RNA) where: Base-Base interactions energy: -789.796 where: short stacking energy: -348.499 Base-Backbone interact. energy: -1.235 local terms energy: -330.648086 where: bonds (distance) C4'-P energy: -64.772 bonds (distance) P-C4' energy: -50.288 flat angles C4'-P-C4' energy: -76.692 flat angles P-C4'-P energy: -41.299 tors. eta vs tors. theta energy: -97.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1122.723298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.723298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.723298 (E_RNA) where: Base-Base interactions energy: -783.496 where: short stacking energy: -316.687 Base-Backbone interact. energy: -1.546 local terms energy: -337.681410 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -58.278 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -59.720 tors. eta vs tors. theta energy: -85.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1041.036361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.036361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.036361 (E_RNA) where: Base-Base interactions energy: -705.499 where: short stacking energy: -313.459 Base-Backbone interact. energy: -1.329 local terms energy: -334.208533 where: bonds (distance) C4'-P energy: -59.949 bonds (distance) P-C4' energy: -65.762 flat angles C4'-P-C4' energy: -79.663 flat angles P-C4'-P energy: -46.073 tors. eta vs tors. theta energy: -82.761 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: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -900.241467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.241467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.241467 (E_RNA) where: Base-Base interactions energy: -613.218 where: short stacking energy: -264.988 Base-Backbone interact. energy: -3.007 local terms energy: -284.016916 where: bonds (distance) C4'-P energy: -67.776 bonds (distance) P-C4' energy: -55.399 flat angles C4'-P-C4' energy: -60.378 flat angles P-C4'-P energy: -34.457 tors. eta vs tors. theta energy: -66.007 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: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -747.402020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.402020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.402020 (E_RNA) where: Base-Base interactions energy: -491.317 where: short stacking energy: -228.464 Base-Backbone interact. energy: -1.653 local terms energy: -254.431994 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -47.524 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -34.706 tors. eta vs tors. theta energy: -45.793 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: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -593.697347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.697347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.697347 (E_RNA) where: Base-Base interactions energy: -373.016 where: short stacking energy: -200.528 Base-Backbone interact. energy: 1.179 local terms energy: -221.860593 where: bonds (distance) C4'-P energy: -60.528 bonds (distance) P-C4' energy: -47.941 flat angles C4'-P-C4' energy: -52.090 flat angles P-C4'-P energy: -18.354 tors. eta vs tors. theta energy: -42.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -513.016919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.016919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.016919 (E_RNA) where: Base-Base interactions energy: -302.994 where: short stacking energy: -150.632 Base-Backbone interact. energy: -0.583 local terms energy: -209.439438 where: bonds (distance) C4'-P energy: -50.727 bonds (distance) P-C4' energy: -53.632 flat angles C4'-P-C4' energy: -43.976 flat angles P-C4'-P energy: -40.752 tors. eta vs tors. theta energy: -20.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1234.832710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.832710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.832710 (E_RNA) where: Base-Base interactions energy: -876.363 where: short stacking energy: -359.758 Base-Backbone interact. energy: 0.078 local terms energy: -358.547126 where: bonds (distance) C4'-P energy: -69.342 bonds (distance) P-C4' energy: -70.754 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -49.839 tors. eta vs tors. theta energy: -94.560 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: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1234.552785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.552785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.552785 (E_RNA) where: Base-Base interactions energy: -868.129 where: short stacking energy: -361.378 Base-Backbone interact. energy: -1.462 local terms energy: -364.962532 where: bonds (distance) C4'-P energy: -67.972 bonds (distance) P-C4' energy: -67.956 flat angles C4'-P-C4' energy: -78.234 flat angles P-C4'-P energy: -53.331 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: 3, replica: 9 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1146.755556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.755556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.755556 (E_RNA) where: Base-Base interactions energy: -778.353 where: short stacking energy: -321.011 Base-Backbone interact. energy: -0.968 local terms energy: -367.434670 where: bonds (distance) C4'-P energy: -71.232 bonds (distance) P-C4' energy: -76.783 flat angles C4'-P-C4' energy: -71.055 flat angles P-C4'-P energy: -54.717 tors. eta vs tors. theta energy: -93.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1104.877137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.877137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.877137 (E_RNA) where: Base-Base interactions energy: -789.443 where: short stacking energy: -325.332 Base-Backbone interact. energy: -1.318 local terms energy: -314.115788 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -61.861 flat angles C4'-P-C4' energy: -61.358 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -78.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1082.929948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.929948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.929948 (E_RNA) where: Base-Base interactions energy: -757.357 where: short stacking energy: -301.928 Base-Backbone interact. energy: -1.857 local terms energy: -323.714964 where: bonds (distance) C4'-P energy: -70.053 bonds (distance) P-C4' energy: -61.064 flat angles C4'-P-C4' energy: -76.713 flat angles P-C4'-P energy: -42.161 tors. eta vs tors. theta energy: -73.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1029.731521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.731521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.731521 (E_RNA) where: Base-Base interactions energy: -734.641 where: short stacking energy: -332.715 Base-Backbone interact. energy: -0.957 local terms energy: -294.133933 where: bonds (distance) C4'-P energy: -52.642 bonds (distance) P-C4' energy: -52.768 flat angles C4'-P-C4' energy: -70.183 flat angles P-C4'-P energy: -40.766 tors. eta vs tors. theta energy: -77.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -893.746432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.746432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.746432 (E_RNA) where: Base-Base interactions energy: -580.417 where: short stacking energy: -266.368 Base-Backbone interact. energy: -1.890 local terms energy: -311.438919 where: bonds (distance) C4'-P energy: -60.574 bonds (distance) P-C4' energy: -62.401 flat angles C4'-P-C4' energy: -74.085 flat angles P-C4'-P energy: -50.544 tors. eta vs tors. theta energy: -63.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -730.822025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.822025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.822025 (E_RNA) where: Base-Base interactions energy: -493.364 where: short stacking energy: -209.369 Base-Backbone interact. energy: -1.430 local terms energy: -236.028282 where: bonds (distance) C4'-P energy: -56.227 bonds (distance) P-C4' energy: -60.196 flat angles C4'-P-C4' energy: -56.527 flat angles P-C4'-P energy: -31.558 tors. eta vs tors. theta energy: -31.520 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: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -581.300746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.300746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.300746 (E_RNA) where: Base-Base interactions energy: -346.685 where: short stacking energy: -190.735 Base-Backbone interact. energy: 2.820 local terms energy: -237.436241 where: bonds (distance) C4'-P energy: -50.378 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -31.665 tors. eta vs tors. theta energy: -34.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -476.458346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.458346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.458346 (E_RNA) where: Base-Base interactions energy: -264.625 where: short stacking energy: -138.866 Base-Backbone interact. energy: -0.069 local terms energy: -211.764478 where: bonds (distance) C4'-P energy: -61.188 bonds (distance) P-C4' energy: -69.765 flat angles C4'-P-C4' energy: -43.035 flat angles P-C4'-P energy: -27.276 tors. eta vs tors. theta energy: -10.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1237.259193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.259193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.259193 (E_RNA) where: Base-Base interactions energy: -880.021 where: short stacking energy: -366.794 Base-Backbone interact. energy: -1.374 local terms energy: -355.864226 where: bonds (distance) C4'-P energy: -68.771 bonds (distance) P-C4' energy: -72.996 flat angles C4'-P-C4' energy: -77.453 flat angles P-C4'-P energy: -42.778 tors. eta vs tors. theta energy: -93.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1219.752254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.752254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.752254 (E_RNA) where: Base-Base interactions energy: -854.816 where: short stacking energy: -375.087 Base-Backbone interact. energy: -1.541 local terms energy: -363.395450 where: bonds (distance) C4'-P energy: -63.666 bonds (distance) P-C4' energy: -69.915 flat angles C4'-P-C4' energy: -77.497 flat angles P-C4'-P energy: -53.030 tors. eta vs tors. theta energy: -99.287 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: 71 Temperature: 1.000000 Total energy: -1161.922263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.922263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.922263 (E_RNA) where: Base-Base interactions energy: -807.828 where: short stacking energy: -345.995 Base-Backbone interact. energy: 0.766 local terms energy: -354.860453 where: bonds (distance) C4'-P energy: -73.983 bonds (distance) P-C4' energy: -68.364 flat angles C4'-P-C4' energy: -73.382 flat angles P-C4'-P energy: -41.577 tors. eta vs tors. theta energy: -97.554 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: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1123.101085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.101085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.101085 (E_RNA) where: Base-Base interactions energy: -811.256 where: short stacking energy: -325.117 Base-Backbone interact. energy: 0.307 local terms energy: -312.152605 where: bonds (distance) C4'-P energy: -53.153 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -73.907 flat angles P-C4'-P energy: -43.278 tors. eta vs tors. theta energy: -74.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1066.847508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.847508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.847508 (E_RNA) where: Base-Base interactions energy: -740.853 where: short stacking energy: -308.848 Base-Backbone interact. energy: -0.078 local terms energy: -325.915924 where: bonds (distance) C4'-P energy: -56.159 bonds (distance) P-C4' energy: -69.511 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -83.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1030.713720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.713720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.713720 (E_RNA) where: Base-Base interactions energy: -725.926 where: short stacking energy: -311.455 Base-Backbone interact. energy: 3.419 local terms energy: -308.206748 where: bonds (distance) C4'-P energy: -52.406 bonds (distance) P-C4' energy: -67.248 flat angles C4'-P-C4' energy: -71.663 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -78.782 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: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -861.235352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.235352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.235352 (E_RNA) where: Base-Base interactions energy: -593.127 where: short stacking energy: -263.498 Base-Backbone interact. energy: -2.280 local terms energy: -265.828090 where: bonds (distance) C4'-P energy: -51.927 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -64.071 flat angles P-C4'-P energy: -32.504 tors. eta vs tors. theta energy: -53.828 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: 8, replica: 10 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -731.907315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.907315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.907315 (E_RNA) where: Base-Base interactions energy: -483.340 where: short stacking energy: -213.008 Base-Backbone interact. energy: -0.033 local terms energy: -248.533638 where: bonds (distance) C4'-P energy: -54.123 bonds (distance) P-C4' energy: -66.015 flat angles C4'-P-C4' energy: -35.781 flat angles P-C4'-P energy: -53.959 tors. eta vs tors. theta energy: -38.654 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: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -594.254152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.254152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.254152 (E_RNA) where: Base-Base interactions energy: -340.896 where: short stacking energy: -175.849 Base-Backbone interact. energy: -0.831 local terms energy: -252.527618 where: bonds (distance) C4'-P energy: -63.206 bonds (distance) P-C4' energy: -68.395 flat angles C4'-P-C4' energy: -55.201 flat angles P-C4'-P energy: -36.955 tors. eta vs tors. theta energy: -28.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -449.507821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.507821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.507821 (E_RNA) where: Base-Base interactions energy: -219.274 where: short stacking energy: -100.802 Base-Backbone interact. energy: -0.482 local terms energy: -229.751256 where: bonds (distance) C4'-P energy: -53.571 bonds (distance) P-C4' energy: -66.276 flat angles C4'-P-C4' energy: -52.800 flat angles P-C4'-P energy: -41.855 tors. eta vs tors. theta energy: -15.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1251.111836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.111836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.111836 (E_RNA) where: Base-Base interactions energy: -894.461 where: short stacking energy: -364.873 Base-Backbone interact. energy: 1.267 local terms energy: -357.917726 where: bonds (distance) C4'-P energy: -64.305 bonds (distance) P-C4' energy: -65.957 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -58.206 tors. eta vs tors. theta energy: -93.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1265.280772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.280772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.280772 (E_RNA) where: Base-Base interactions energy: -876.134 where: short stacking energy: -369.665 Base-Backbone interact. energy: -2.351 local terms energy: -386.795315 where: bonds (distance) C4'-P energy: -70.169 bonds (distance) P-C4' energy: -73.527 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -61.727 tors. eta vs tors. theta energy: -97.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1148.022910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.022910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.022910 (E_RNA) where: Base-Base interactions energy: -825.906 where: short stacking energy: -342.715 Base-Backbone interact. energy: 1.178 local terms energy: -323.294282 where: bonds (distance) C4'-P energy: -49.184 bonds (distance) P-C4' energy: -65.742 flat angles C4'-P-C4' energy: -76.631 flat angles P-C4'-P energy: -53.024 tors. eta vs tors. theta energy: -78.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1124.021540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.021540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.021540 (E_RNA) where: Base-Base interactions energy: -787.384 where: short stacking energy: -328.824 Base-Backbone interact. energy: -1.888 local terms energy: -334.748644 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -77.801 flat angles P-C4'-P energy: -35.805 tors. eta vs tors. theta energy: -91.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1063.929963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.929963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.929963 (E_RNA) where: Base-Base interactions energy: -741.820 where: short stacking energy: -310.971 Base-Backbone interact. energy: -2.124 local terms energy: -319.985935 where: bonds (distance) C4'-P energy: -62.285 bonds (distance) P-C4' energy: -69.163 flat angles C4'-P-C4' energy: -65.882 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -83.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1027.520900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.520900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.520900 (E_RNA) where: Base-Base interactions energy: -714.674 where: short stacking energy: -310.118 Base-Backbone interact. energy: 2.169 local terms energy: -315.015710 where: bonds (distance) C4'-P energy: -58.151 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -62.184 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -77.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -885.354740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.354740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.354740 (E_RNA) where: Base-Base interactions energy: -615.606 where: short stacking energy: -257.277 Base-Backbone interact. energy: 1.911 local terms energy: -271.659770 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -58.118 flat angles P-C4'-P energy: -22.013 tors. eta vs tors. theta energy: -65.356 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: 10 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -734.625834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.625834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.625834 (E_RNA) where: Base-Base interactions energy: -497.992 where: short stacking energy: -209.547 Base-Backbone interact. energy: -0.745 local terms energy: -235.888778 where: bonds (distance) C4'-P energy: -47.351 bonds (distance) P-C4' energy: -60.754 flat angles C4'-P-C4' energy: -51.106 flat angles P-C4'-P energy: -36.695 tors. eta vs tors. theta energy: -39.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -572.257578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.257578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.257578 (E_RNA) where: Base-Base interactions energy: -350.987 where: short stacking energy: -180.759 Base-Backbone interact. energy: 1.202 local terms energy: -222.472555 where: bonds (distance) C4'-P energy: -47.369 bonds (distance) P-C4' energy: -59.698 flat angles C4'-P-C4' energy: -66.405 flat angles P-C4'-P energy: -27.635 tors. eta vs tors. theta energy: -21.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -445.215396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.215396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.215396 (E_RNA) where: Base-Base interactions energy: -253.660 where: short stacking energy: -146.973 Base-Backbone interact. energy: 5.999 local terms energy: -197.554563 where: bonds (distance) C4'-P energy: -50.302 bonds (distance) P-C4' energy: -63.173 flat angles C4'-P-C4' energy: -53.231 flat angles P-C4'-P energy: -20.356 tors. eta vs tors. theta energy: -10.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1256.690645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.690645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.690645 (E_RNA) where: Base-Base interactions energy: -871.638 where: short stacking energy: -346.747 Base-Backbone interact. energy: 0.385 local terms energy: -385.437883 where: bonds (distance) C4'-P energy: -72.250 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -60.326 tors. eta vs tors. theta energy: -100.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1261.348287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.348287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.348287 (E_RNA) where: Base-Base interactions energy: -893.539 where: short stacking energy: -385.307 Base-Backbone interact. energy: 1.496 local terms energy: -369.305579 where: bonds (distance) C4'-P energy: -64.944 bonds (distance) P-C4' energy: -67.710 flat angles C4'-P-C4' energy: -83.279 flat angles P-C4'-P energy: -47.898 tors. eta vs tors. theta energy: -105.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1144.154076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.154076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.154076 (E_RNA) where: Base-Base interactions energy: -815.166 where: short stacking energy: -332.012 Base-Backbone interact. energy: 1.932 local terms energy: -330.919507 where: bonds (distance) C4'-P energy: -67.392 bonds (distance) P-C4' energy: -63.030 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: -78.620 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: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1148.111816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.111816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.111816 (E_RNA) where: Base-Base interactions energy: -790.359 where: short stacking energy: -340.602 Base-Backbone interact. energy: 3.213 local terms energy: -360.965648 where: bonds (distance) C4'-P energy: -72.176 bonds (distance) P-C4' energy: -60.440 flat angles C4'-P-C4' energy: -72.173 flat angles P-C4'-P energy: -53.255 tors. eta vs tors. theta energy: -102.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1070.188004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.188004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.188004 (E_RNA) where: Base-Base interactions energy: -745.699 where: short stacking energy: -320.896 Base-Backbone interact. energy: -2.518 local terms energy: -321.971503 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -54.448 flat angles C4'-P-C4' energy: -65.871 flat angles P-C4'-P energy: -50.776 tors. eta vs tors. theta energy: -81.353 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: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1020.414756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.414756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.414756 (E_RNA) where: Base-Base interactions energy: -711.516 where: short stacking energy: -314.114 Base-Backbone interact. energy: -2.010 local terms energy: -306.888484 where: bonds (distance) C4'-P energy: -58.061 bonds (distance) P-C4' energy: -67.184 flat angles C4'-P-C4' energy: -66.318 flat angles P-C4'-P energy: -32.815 tors. eta vs tors. theta energy: -82.511 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: 73 Temperature: 1.200000 Total energy: -909.623229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.623229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.623229 (E_RNA) where: Base-Base interactions energy: -636.581 where: short stacking energy: -258.754 Base-Backbone interact. energy: -1.834 local terms energy: -271.209146 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -54.202 flat angles C4'-P-C4' energy: -68.947 flat angles P-C4'-P energy: -35.571 tors. eta vs tors. theta energy: -50.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -723.399591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.399591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.399591 (E_RNA) where: Base-Base interactions energy: -482.642 where: short stacking energy: -204.092 Base-Backbone interact. energy: -0.301 local terms energy: -240.456335 where: bonds (distance) C4'-P energy: -48.572 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -60.474 flat angles P-C4'-P energy: -32.393 tors. eta vs tors. theta energy: -42.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -589.953528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.953528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.953528 (E_RNA) where: Base-Base interactions energy: -356.448 where: short stacking energy: -176.203 Base-Backbone interact. energy: -0.890 local terms energy: -232.615764 where: bonds (distance) C4'-P energy: -49.046 bonds (distance) P-C4' energy: -55.944 flat angles C4'-P-C4' energy: -68.682 flat angles P-C4'-P energy: -34.598 tors. eta vs tors. theta energy: -24.345 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: 1 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -462.887688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.887688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.887688 (E_RNA) where: Base-Base interactions energy: -256.613 where: short stacking energy: -141.285 Base-Backbone interact. energy: -2.160 local terms energy: -204.114373 where: bonds (distance) C4'-P energy: -57.739 bonds (distance) P-C4' energy: -54.406 flat angles C4'-P-C4' energy: -43.943 flat angles P-C4'-P energy: -32.140 tors. eta vs tors. theta energy: -15.887 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: 1, replica: 4 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1286.129483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.129483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.129483 (E_RNA) where: Base-Base interactions energy: -900.905 where: short stacking energy: -396.226 Base-Backbone interact. energy: -0.649 local terms energy: -384.575797 where: bonds (distance) C4'-P energy: -65.289 bonds (distance) P-C4' energy: -70.137 flat angles C4'-P-C4' energy: -80.764 flat angles P-C4'-P energy: -57.877 tors. eta vs tors. theta energy: -110.509 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: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1205.167306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.167306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.167306 (E_RNA) where: Base-Base interactions energy: -837.644 where: short stacking energy: -352.716 Base-Backbone interact. energy: -0.996 local terms energy: -366.527183 where: bonds (distance) C4'-P energy: -69.882 bonds (distance) P-C4' energy: -64.883 flat angles C4'-P-C4' energy: -79.334 flat angles P-C4'-P energy: -48.260 tors. eta vs tors. theta energy: -104.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1144.121623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.121623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.121623 (E_RNA) where: Base-Base interactions energy: -795.588 where: short stacking energy: -342.235 Base-Backbone interact. energy: -1.215 local terms energy: -347.318485 where: bonds (distance) C4'-P energy: -64.333 bonds (distance) P-C4' energy: -65.187 flat angles C4'-P-C4' energy: -68.380 flat angles P-C4'-P energy: -48.049 tors. eta vs tors. theta energy: -101.369 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: 6 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1137.149946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.149946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.149946 (E_RNA) where: Base-Base interactions energy: -814.170 where: short stacking energy: -333.827 Base-Backbone interact. energy: 0.830 local terms energy: -323.810180 where: bonds (distance) C4'-P energy: -66.630 bonds (distance) P-C4' energy: -64.533 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -43.628 tors. eta vs tors. theta energy: -75.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1056.935912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.935912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.935912 (E_RNA) where: Base-Base interactions energy: -717.421 where: short stacking energy: -304.662 Base-Backbone interact. energy: 0.098 local terms energy: -339.612369 where: bonds (distance) C4'-P energy: -59.954 bonds (distance) P-C4' energy: -72.010 flat angles C4'-P-C4' energy: -81.963 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -77.900 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: 6, replica: 7 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1024.288089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.288089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.288089 (E_RNA) where: Base-Base interactions energy: -702.980 where: short stacking energy: -292.105 Base-Backbone interact. energy: -1.197 local terms energy: -320.110924 where: bonds (distance) C4'-P energy: -62.000 bonds (distance) P-C4' energy: -66.889 flat angles C4'-P-C4' energy: -70.890 flat angles P-C4'-P energy: -41.762 tors. eta vs tors. theta energy: -78.571 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: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -888.831673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.831673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.831673 (E_RNA) where: Base-Base interactions energy: -582.281 where: short stacking energy: -269.813 Base-Backbone interact. energy: 0.718 local terms energy: -307.268808 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -69.846 flat angles C4'-P-C4' energy: -64.571 flat angles P-C4'-P energy: -48.881 tors. eta vs tors. theta energy: -66.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -768.158855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.158855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.158855 (E_RNA) where: Base-Base interactions energy: -491.799 where: short stacking energy: -230.151 Base-Backbone interact. energy: 2.214 local terms energy: -278.573954 where: bonds (distance) C4'-P energy: -54.491 bonds (distance) P-C4' energy: -63.440 flat angles C4'-P-C4' energy: -67.372 flat angles P-C4'-P energy: -41.988 tors. eta vs tors. theta energy: -51.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -550.198433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.198433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.198433 (E_RNA) where: Base-Base interactions energy: -327.860 where: short stacking energy: -150.902 Base-Backbone interact. energy: 0.737 local terms energy: -223.076102 where: bonds (distance) C4'-P energy: -55.060 bonds (distance) P-C4' energy: -51.486 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -36.387 tors. eta vs tors. theta energy: -20.999 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: 1 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -443.076747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.076747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.076747 (E_RNA) where: Base-Base interactions energy: -250.725 where: short stacking energy: -126.387 Base-Backbone interact. energy: 1.533 local terms energy: -193.884096 where: bonds (distance) C4'-P energy: -48.619 bonds (distance) P-C4' energy: -59.554 flat angles C4'-P-C4' energy: -46.913 flat angles P-C4'-P energy: -28.083 tors. eta vs tors. theta energy: -10.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1267.121397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.121397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.121397 (E_RNA) where: Base-Base interactions energy: -875.685 where: short stacking energy: -380.831 Base-Backbone interact. energy: -0.098 local terms energy: -391.339058 where: bonds (distance) C4'-P energy: -75.010 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -79.914 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -105.144 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: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1209.948741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.948741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.948741 (E_RNA) where: Base-Base interactions energy: -847.099 where: short stacking energy: -356.845 Base-Backbone interact. energy: -0.207 local terms energy: -362.642904 where: bonds (distance) C4'-P energy: -70.126 bonds (distance) P-C4' energy: -62.172 flat angles C4'-P-C4' energy: -74.431 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -101.956 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: 75 Temperature: 1.000000 Total energy: -1152.485495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.485495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.485495 (E_RNA) where: Base-Base interactions energy: -785.894 where: short stacking energy: -324.874 Base-Backbone interact. energy: -0.890 local terms energy: -365.701871 where: bonds (distance) C4'-P energy: -72.597 bonds (distance) P-C4' energy: -68.618 flat angles C4'-P-C4' energy: -79.315 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -96.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1111.993790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.993790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.993790 (E_RNA) where: Base-Base interactions energy: -808.730 where: short stacking energy: -322.088 Base-Backbone interact. energy: -0.475 local terms energy: -302.788605 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -49.353 flat angles C4'-P-C4' energy: -70.091 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -75.361 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: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1047.502335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.502335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.502335 (E_RNA) where: Base-Base interactions energy: -720.757 where: short stacking energy: -322.984 Base-Backbone interact. energy: -2.260 local terms energy: -324.485362 where: bonds (distance) C4'-P energy: -55.190 bonds (distance) P-C4' energy: -64.630 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -49.243 tors. eta vs tors. theta energy: -85.500 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: 6, replica: 7 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1027.433797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.433797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.433797 (E_RNA) where: Base-Base interactions energy: -732.211 where: short stacking energy: -305.314 Base-Backbone interact. energy: -1.879 local terms energy: -293.343439 where: bonds (distance) C4'-P energy: -61.626 bonds (distance) P-C4' energy: -64.830 flat angles C4'-P-C4' energy: -54.625 flat angles P-C4'-P energy: -44.133 tors. eta vs tors. theta energy: -68.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -884.471014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.471014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.471014 (E_RNA) where: Base-Base interactions energy: -597.786 where: short stacking energy: -254.386 Base-Backbone interact. energy: 2.006 local terms energy: -288.691561 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -58.392 flat angles C4'-P-C4' energy: -66.619 flat angles P-C4'-P energy: -39.253 tors. eta vs tors. theta energy: -63.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -768.818519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.818519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.818519 (E_RNA) where: Base-Base interactions energy: -516.676 where: short stacking energy: -238.162 Base-Backbone interact. energy: -0.960 local terms energy: -251.181990 where: bonds (distance) C4'-P energy: -57.733 bonds (distance) P-C4' energy: -47.900 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -34.467 tors. eta vs tors. theta energy: -54.804 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: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -606.536159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.536159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.536159 (E_RNA) where: Base-Base interactions energy: -374.044 where: short stacking energy: -201.747 Base-Backbone interact. energy: -0.820 local terms energy: -231.672825 where: bonds (distance) C4'-P energy: -45.520 bonds (distance) P-C4' energy: -57.230 flat angles C4'-P-C4' energy: -46.385 flat angles P-C4'-P energy: -41.374 tors. eta vs tors. theta energy: -41.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -441.751354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.751354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.751354 (E_RNA) where: Base-Base interactions energy: -222.334 where: short stacking energy: -127.475 Base-Backbone interact. energy: -1.310 local terms energy: -218.107269 where: bonds (distance) C4'-P energy: -44.021 bonds (distance) P-C4' energy: -64.999 flat angles C4'-P-C4' energy: -50.841 flat angles P-C4'-P energy: -38.196 tors. eta vs tors. theta energy: -20.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1263.232493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.232493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.232493 (E_RNA) where: Base-Base interactions energy: -903.349 where: short stacking energy: -391.909 Base-Backbone interact. energy: -0.348 local terms energy: -359.534765 where: bonds (distance) C4'-P energy: -58.619 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -78.404 flat angles P-C4'-P energy: -43.921 tors. eta vs tors. theta energy: -113.434 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: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1219.117047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.117047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.117047 (E_RNA) where: Base-Base interactions energy: -855.816 where: short stacking energy: -357.647 Base-Backbone interact. energy: -0.901 local terms energy: -362.399890 where: bonds (distance) C4'-P energy: -73.436 bonds (distance) P-C4' energy: -66.250 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -47.428 tors. eta vs tors. theta energy: -100.660 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: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1193.588997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.588997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.588997 (E_RNA) where: Base-Base interactions energy: -828.356 where: short stacking energy: -340.279 Base-Backbone interact. energy: -0.959 local terms energy: -364.273514 where: bonds (distance) C4'-P energy: -69.333 bonds (distance) P-C4' energy: -68.292 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -51.773 tors. eta vs tors. theta energy: -100.775 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: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1087.783065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.783065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.783065 (E_RNA) where: Base-Base interactions energy: -756.477 where: short stacking energy: -311.619 Base-Backbone interact. energy: 2.039 local terms energy: -333.344702 where: bonds (distance) C4'-P energy: -65.311 bonds (distance) P-C4' energy: -62.606 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -74.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1054.149703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.149703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.149703 (E_RNA) where: Base-Base interactions energy: -716.333 where: short stacking energy: -293.415 Base-Backbone interact. energy: -1.581 local terms energy: -336.234849 where: bonds (distance) C4'-P energy: -58.165 bonds (distance) P-C4' energy: -68.395 flat angles C4'-P-C4' energy: -74.505 flat angles P-C4'-P energy: -48.248 tors. eta vs tors. theta energy: -86.923 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: 7 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1017.869461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.869461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.869461 (E_RNA) where: Base-Base interactions energy: -717.605 where: short stacking energy: -297.644 Base-Backbone interact. energy: -0.741 local terms energy: -299.523918 where: bonds (distance) C4'-P energy: -57.071 bonds (distance) P-C4' energy: -63.545 flat angles C4'-P-C4' energy: -67.267 flat angles P-C4'-P energy: -40.923 tors. eta vs tors. theta energy: -70.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -938.642394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.642394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.642394 (E_RNA) where: Base-Base interactions energy: -644.170 where: short stacking energy: -276.502 Base-Backbone interact. energy: -0.984 local terms energy: -293.488299 where: bonds (distance) C4'-P energy: -59.389 bonds (distance) P-C4' energy: -78.004 flat angles C4'-P-C4' energy: -57.723 flat angles P-C4'-P energy: -31.639 tors. eta vs tors. theta energy: -66.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -755.269656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.269656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.269656 (E_RNA) where: Base-Base interactions energy: -497.912 where: short stacking energy: -216.536 Base-Backbone interact. energy: 3.758 local terms energy: -261.115162 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -59.792 flat angles C4'-P-C4' energy: -55.124 flat angles P-C4'-P energy: -40.098 tors. eta vs tors. theta energy: -49.184 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: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -592.127816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.127816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.127816 (E_RNA) where: Base-Base interactions energy: -350.579 where: short stacking energy: -187.103 Base-Backbone interact. energy: 1.316 local terms energy: -242.865742 where: bonds (distance) C4'-P energy: -57.323 bonds (distance) P-C4' energy: -64.759 flat angles C4'-P-C4' energy: -60.999 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -20.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -431.409337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.409337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.409337 (E_RNA) where: Base-Base interactions energy: -241.255 where: short stacking energy: -131.346 Base-Backbone interact. energy: 0.979 local terms energy: -191.133492 where: bonds (distance) C4'-P energy: -65.292 bonds (distance) P-C4' energy: -53.718 flat angles C4'-P-C4' energy: -62.518 flat angles P-C4'-P energy: -7.070 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1263.245935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.245935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.245935 (E_RNA) where: Base-Base interactions energy: -883.373 where: short stacking energy: -386.252 Base-Backbone interact. energy: 0.030 local terms energy: -379.902996 where: bonds (distance) C4'-P energy: -68.006 bonds (distance) P-C4' energy: -78.744 flat angles C4'-P-C4' energy: -80.064 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -106.051 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: 2, replica: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1226.116898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.116898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.116898 (E_RNA) where: Base-Base interactions energy: -864.401 where: short stacking energy: -366.613 Base-Backbone interact. energy: -0.540 local terms energy: -361.175343 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -71.208 flat angles C4'-P-C4' energy: -81.902 flat angles P-C4'-P energy: -47.967 tors. eta vs tors. theta energy: -99.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1204.941543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.941543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.941543 (E_RNA) where: Base-Base interactions energy: -865.652 where: short stacking energy: -373.373 Base-Backbone interact. energy: -1.118 local terms energy: -338.171466 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -58.320 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -44.445 tors. eta vs tors. theta energy: -96.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1091.357362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.357362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.357362 (E_RNA) where: Base-Base interactions energy: -771.101 where: short stacking energy: -329.010 Base-Backbone interact. energy: 1.904 local terms energy: -322.159922 where: bonds (distance) C4'-P energy: -68.644 bonds (distance) P-C4' energy: -54.551 flat angles C4'-P-C4' energy: -72.604 flat angles P-C4'-P energy: -52.111 tors. eta vs tors. theta energy: -74.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1065.450763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.450763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.450763 (E_RNA) where: Base-Base interactions energy: -740.798 where: short stacking energy: -321.479 Base-Backbone interact. energy: -1.936 local terms energy: -322.717029 where: bonds (distance) C4'-P energy: -65.375 bonds (distance) P-C4' energy: -58.567 flat angles C4'-P-C4' energy: -58.510 flat angles P-C4'-P energy: -58.094 tors. eta vs tors. theta energy: -82.171 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: 7 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -999.147427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.147427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.147427 (E_RNA) where: Base-Base interactions energy: -693.022 where: short stacking energy: -298.520 Base-Backbone interact. energy: -1.731 local terms energy: -304.393844 where: bonds (distance) C4'-P energy: -49.811 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -43.626 tors. eta vs tors. theta energy: -76.987 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: 5 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -893.245044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.245044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.245044 (E_RNA) where: Base-Base interactions energy: -598.155 where: short stacking energy: -254.759 Base-Backbone interact. energy: -1.040 local terms energy: -294.050085 where: bonds (distance) C4'-P energy: -57.671 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -69.507 flat angles P-C4'-P energy: -40.647 tors. eta vs tors. theta energy: -62.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -801.701451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.701451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.701451 (E_RNA) where: Base-Base interactions energy: -538.457 where: short stacking energy: -252.991 Base-Backbone interact. energy: -1.387 local terms energy: -261.857294 where: bonds (distance) C4'-P energy: -42.273 bonds (distance) P-C4' energy: -47.804 flat angles C4'-P-C4' energy: -66.022 flat angles P-C4'-P energy: -41.488 tors. eta vs tors. theta energy: -64.270 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: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -536.021503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.021503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.021503 (E_RNA) where: Base-Base interactions energy: -316.420 where: short stacking energy: -158.139 Base-Backbone interact. energy: -1.669 local terms energy: -217.933155 where: bonds (distance) C4'-P energy: -48.371 bonds (distance) P-C4' energy: -73.916 flat angles C4'-P-C4' energy: -54.062 flat angles P-C4'-P energy: -34.540 tors. eta vs tors. theta energy: -7.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -446.879413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.879413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.879413 (E_RNA) where: Base-Base interactions energy: -233.622 where: short stacking energy: -126.040 Base-Backbone interact. energy: 0.617 local terms energy: -213.874536 where: bonds (distance) C4'-P energy: -59.005 bonds (distance) P-C4' energy: -65.450 flat angles C4'-P-C4' energy: -50.333 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: 2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1248.028963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.028963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.028963 (E_RNA) where: Base-Base interactions energy: -876.299 where: short stacking energy: -378.886 Base-Backbone interact. energy: -0.969 local terms energy: -370.760932 where: bonds (distance) C4'-P energy: -63.988 bonds (distance) P-C4' energy: -67.922 flat angles C4'-P-C4' energy: -82.542 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -103.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1223.175651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.175651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.175651 (E_RNA) where: Base-Base interactions energy: -854.393 where: short stacking energy: -347.812 Base-Backbone interact. energy: -1.886 local terms energy: -366.897165 where: bonds (distance) C4'-P energy: -64.785 bonds (distance) P-C4' energy: -77.243 flat angles C4'-P-C4' energy: -83.776 flat angles P-C4'-P energy: -46.156 tors. eta vs tors. theta energy: -94.937 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: 3 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1188.201441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.201441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.201441 (E_RNA) where: Base-Base interactions energy: -849.518 where: short stacking energy: -351.492 Base-Backbone interact. energy: 0.421 local terms energy: -339.104266 where: bonds (distance) C4'-P energy: -64.719 bonds (distance) P-C4' energy: -64.241 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -34.665 tors. eta vs tors. theta energy: -94.529 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: 78 Temperature: 1.050000 Total energy: -1081.068564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.068564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.068564 (E_RNA) where: Base-Base interactions energy: -780.522 where: short stacking energy: -316.684 Base-Backbone interact. energy: 0.339 local terms energy: -300.885871 where: bonds (distance) C4'-P energy: -68.991 bonds (distance) P-C4' energy: -47.343 flat angles C4'-P-C4' energy: -68.380 flat angles P-C4'-P energy: -43.815 tors. eta vs tors. theta energy: -72.357 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: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1079.748809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.748809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.748809 (E_RNA) where: Base-Base interactions energy: -764.881 where: short stacking energy: -345.937 Base-Backbone interact. energy: -1.794 local terms energy: -313.073660 where: bonds (distance) C4'-P energy: -52.427 bonds (distance) P-C4' energy: -53.909 flat angles C4'-P-C4' energy: -72.546 flat angles P-C4'-P energy: -48.300 tors. eta vs tors. theta energy: -85.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1025.669811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.669811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.669811 (E_RNA) where: Base-Base interactions energy: -711.674 where: short stacking energy: -298.765 Base-Backbone interact. energy: -2.421 local terms energy: -311.574018 where: bonds (distance) C4'-P energy: -56.067 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -76.057 flat angles P-C4'-P energy: -38.894 tors. eta vs tors. theta energy: -74.885 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: 7, replica: 5 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -921.469370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.469370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.469370 (E_RNA) where: Base-Base interactions energy: -635.135 where: short stacking energy: -281.145 Base-Backbone interact. energy: -1.222 local terms energy: -285.112211 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -48.417 flat angles C4'-P-C4' energy: -66.874 flat angles P-C4'-P energy: -36.655 tors. eta vs tors. theta energy: -76.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -855.093649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.093649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.093649 (E_RNA) where: Base-Base interactions energy: -583.181 where: short stacking energy: -251.689 Base-Backbone interact. energy: 1.448 local terms energy: -273.360371 where: bonds (distance) C4'-P energy: -61.001 bonds (distance) P-C4' energy: -66.077 flat angles C4'-P-C4' energy: -53.782 flat angles P-C4'-P energy: -39.954 tors. eta vs tors. theta energy: -52.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -578.681483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.681483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.681483 (E_RNA) where: Base-Base interactions energy: -340.366 where: short stacking energy: -188.604 Base-Backbone interact. energy: 3.887 local terms energy: -242.202598 where: bonds (distance) C4'-P energy: -63.196 bonds (distance) P-C4' energy: -48.644 flat angles C4'-P-C4' energy: -58.371 flat angles P-C4'-P energy: -33.161 tors. eta vs tors. theta energy: -38.832 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: 78 Temperature: 1.350000 Total energy: -482.860246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.860246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.860246 (E_RNA) where: Base-Base interactions energy: -272.719 where: short stacking energy: -158.111 Base-Backbone interact. energy: -0.243 local terms energy: -209.898983 where: bonds (distance) C4'-P energy: -53.179 bonds (distance) P-C4' energy: -53.915 flat angles C4'-P-C4' energy: -59.780 flat angles P-C4'-P energy: -27.825 tors. eta vs tors. theta energy: -15.200 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: 4 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1243.844386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.844386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.844386 (E_RNA) where: Base-Base interactions energy: -885.395 where: short stacking energy: -373.979 Base-Backbone interact. energy: -1.029 local terms energy: -357.420467 where: bonds (distance) C4'-P energy: -65.162 bonds (distance) P-C4' energy: -72.556 flat angles C4'-P-C4' energy: -66.738 flat angles P-C4'-P energy: -54.149 tors. eta vs tors. theta energy: -98.816 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: 79 Temperature: 0.950000 Total energy: -1215.176503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.176503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.176503 (E_RNA) where: Base-Base interactions energy: -852.495 where: short stacking energy: -354.505 Base-Backbone interact. energy: -1.163 local terms energy: -361.518618 where: bonds (distance) C4'-P energy: -69.622 bonds (distance) P-C4' energy: -73.197 flat angles C4'-P-C4' energy: -75.093 flat angles P-C4'-P energy: -41.341 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: 3, replica: 3 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1153.239809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.239809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.239809 (E_RNA) where: Base-Base interactions energy: -808.042 where: short stacking energy: -370.278 Base-Backbone interact. energy: -1.556 local terms energy: -343.641532 where: bonds (distance) C4'-P energy: -56.004 bonds (distance) P-C4' energy: -60.503 flat angles C4'-P-C4' energy: -78.146 flat angles P-C4'-P energy: -53.677 tors. eta vs tors. theta energy: -95.312 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: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1105.242430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.242430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.242430 (E_RNA) where: Base-Base interactions energy: -761.951 where: short stacking energy: -312.060 Base-Backbone interact. energy: -0.670 local terms energy: -342.621485 where: bonds (distance) C4'-P energy: -63.236 bonds (distance) P-C4' energy: -68.884 flat angles C4'-P-C4' energy: -76.713 flat angles P-C4'-P energy: -53.742 tors. eta vs tors. theta energy: -80.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1083.215926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.215926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.215926 (E_RNA) where: Base-Base interactions energy: -737.408 where: short stacking energy: -319.628 Base-Backbone interact. energy: -1.322 local terms energy: -344.486070 where: bonds (distance) C4'-P energy: -71.287 bonds (distance) P-C4' energy: -61.862 flat angles C4'-P-C4' energy: -73.668 flat angles P-C4'-P energy: -54.555 tors. eta vs tors. theta energy: -83.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1041.880803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.880803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.880803 (E_RNA) where: Base-Base interactions energy: -727.557 where: short stacking energy: -309.740 Base-Backbone interact. energy: -0.490 local terms energy: -313.833883 where: bonds (distance) C4'-P energy: -51.395 bonds (distance) P-C4' energy: -63.274 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -40.271 tors. eta vs tors. theta energy: -85.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -902.918357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.918357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.918357 (E_RNA) where: Base-Base interactions energy: -606.663 where: short stacking energy: -253.162 Base-Backbone interact. energy: -0.749 local terms energy: -295.506196 where: bonds (distance) C4'-P energy: -58.231 bonds (distance) P-C4' energy: -64.421 flat angles C4'-P-C4' energy: -65.806 flat angles P-C4'-P energy: -37.530 tors. eta vs tors. theta energy: -69.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -807.200262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.200262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.200262 (E_RNA) where: Base-Base interactions energy: -543.028 where: short stacking energy: -228.744 Base-Backbone interact. energy: -0.566 local terms energy: -263.606621 where: bonds (distance) C4'-P energy: -57.273 bonds (distance) P-C4' energy: -52.884 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -36.621 tors. eta vs tors. theta energy: -60.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -552.359822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.359822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.359822 (E_RNA) where: Base-Base interactions energy: -320.204 where: short stacking energy: -156.871 Base-Backbone interact. energy: 3.426 local terms energy: -235.581911 where: bonds (distance) C4'-P energy: -58.869 bonds (distance) P-C4' energy: -73.748 flat angles C4'-P-C4' energy: -48.451 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -483.815336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.815336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.815336 (E_RNA) where: Base-Base interactions energy: -269.574 where: short stacking energy: -146.763 Base-Backbone interact. energy: 0.676 local terms energy: -214.918021 where: bonds (distance) C4'-P energy: -52.082 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -65.548 flat angles P-C4'-P energy: -28.858 tors. eta vs tors. theta energy: -12.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1247.283083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.283083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.283083 (E_RNA) where: Base-Base interactions energy: -862.461 where: short stacking energy: -365.132 Base-Backbone interact. energy: -0.111 local terms energy: -384.711105 where: bonds (distance) C4'-P energy: -74.405 bonds (distance) P-C4' energy: -74.420 flat angles C4'-P-C4' energy: -82.324 flat angles P-C4'-P energy: -48.297 tors. eta vs tors. theta energy: -105.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1222.458657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.458657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.458657 (E_RNA) where: Base-Base interactions energy: -862.805 where: short stacking energy: -349.196 Base-Backbone interact. energy: -0.471 local terms energy: -359.182118 where: bonds (distance) C4'-P energy: -68.564 bonds (distance) P-C4' energy: -64.691 flat angles C4'-P-C4' energy: -79.118 flat angles P-C4'-P energy: -49.763 tors. eta vs tors. theta energy: -97.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1159.268576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.268576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.268576 (E_RNA) where: Base-Base interactions energy: -797.604 where: short stacking energy: -341.093 Base-Backbone interact. energy: -1.485 local terms energy: -360.179444 where: bonds (distance) C4'-P energy: -66.484 bonds (distance) P-C4' energy: -69.670 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -95.471 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: 80 Temperature: 1.050000 Total energy: -1098.250083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.250083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.250083 (E_RNA) where: Base-Base interactions energy: -776.482 where: short stacking energy: -317.264 Base-Backbone interact. energy: 2.423 local terms energy: -324.191873 where: bonds (distance) C4'-P energy: -58.674 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -75.626 flat angles P-C4'-P energy: -42.124 tors. eta vs tors. theta energy: -85.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1083.474725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.474725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.474725 (E_RNA) where: Base-Base interactions energy: -767.161 where: short stacking energy: -307.635 Base-Backbone interact. energy: 2.143 local terms energy: -318.456982 where: bonds (distance) C4'-P energy: -62.992 bonds (distance) P-C4' energy: -57.603 flat angles C4'-P-C4' energy: -75.805 flat angles P-C4'-P energy: -39.517 tors. eta vs tors. theta energy: -82.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1043.869341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.869341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.869341 (E_RNA) where: Base-Base interactions energy: -740.561 where: short stacking energy: -326.579 Base-Backbone interact. energy: -2.161 local terms energy: -301.147035 where: bonds (distance) C4'-P energy: -53.937 bonds (distance) P-C4' energy: -53.523 flat angles C4'-P-C4' energy: -78.628 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -73.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -865.007121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.007121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.007121 (E_RNA) where: Base-Base interactions energy: -587.125 where: short stacking energy: -250.363 Base-Backbone interact. energy: -0.942 local terms energy: -276.940487 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -52.789 flat angles P-C4'-P energy: -34.822 tors. eta vs tors. theta energy: -58.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -858.105949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.105949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.105949 (E_RNA) where: Base-Base interactions energy: -577.765 where: short stacking energy: -226.514 Base-Backbone interact. energy: -4.467 local terms energy: -275.874617 where: bonds (distance) C4'-P energy: -56.955 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -33.431 tors. eta vs tors. theta energy: -60.331 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: 9, replica: 1 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -494.594601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.594601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.594601 (E_RNA) where: Base-Base interactions energy: -284.910 where: short stacking energy: -143.250 Base-Backbone interact. energy: 4.169 local terms energy: -213.853936 where: bonds (distance) C4'-P energy: -62.058 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -53.728 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -2.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -527.422194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.422194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.422194 (E_RNA) where: Base-Base interactions energy: -308.991 where: short stacking energy: -155.196 Base-Backbone interact. energy: 1.134 local terms energy: -219.565133 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -56.639 flat angles C4'-P-C4' energy: -48.835 flat angles P-C4'-P energy: -25.353 tors. eta vs tors. theta energy: -25.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1274.596121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.596121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.596121 (E_RNA) where: Base-Base interactions energy: -883.622 where: short stacking energy: -400.499 Base-Backbone interact. energy: -2.516 local terms energy: -388.458353 where: bonds (distance) C4'-P energy: -70.272 bonds (distance) P-C4' energy: -71.767 flat angles C4'-P-C4' energy: -83.239 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -111.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1238.240575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.240575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.240575 (E_RNA) where: Base-Base interactions energy: -877.743 where: short stacking energy: -363.091 Base-Backbone interact. energy: 0.464 local terms energy: -360.961988 where: bonds (distance) C4'-P energy: -66.912 bonds (distance) P-C4' energy: -62.673 flat angles C4'-P-C4' energy: -77.120 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -106.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1178.271800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.271800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.271800 (E_RNA) where: Base-Base interactions energy: -819.823 where: short stacking energy: -348.515 Base-Backbone interact. energy: -0.915 local terms energy: -357.533899 where: bonds (distance) C4'-P energy: -62.273 bonds (distance) P-C4' energy: -72.901 flat angles C4'-P-C4' energy: -72.618 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -97.188 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: 7 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1117.810110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.810110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.810110 (E_RNA) where: Base-Base interactions energy: -790.318 where: short stacking energy: -313.779 Base-Backbone interact. energy: -0.089 local terms energy: -327.403623 where: bonds (distance) C4'-P energy: -65.787 bonds (distance) P-C4' energy: -68.217 flat angles C4'-P-C4' energy: -66.534 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -83.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1077.600390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.600390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.600390 (E_RNA) where: Base-Base interactions energy: -781.819 where: short stacking energy: -314.256 Base-Backbone interact. energy: -0.657 local terms energy: -295.124341 where: bonds (distance) C4'-P energy: -61.602 bonds (distance) P-C4' energy: -60.759 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -47.432 tors. eta vs tors. theta energy: -65.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1052.417140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.417140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.417140 (E_RNA) where: Base-Base interactions energy: -745.567 where: short stacking energy: -322.158 Base-Backbone interact. energy: -0.702 local terms energy: -306.147791 where: bonds (distance) C4'-P energy: -60.645 bonds (distance) P-C4' energy: -52.971 flat angles C4'-P-C4' energy: -70.216 flat angles P-C4'-P energy: -40.324 tors. eta vs tors. theta energy: -81.992 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: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -944.846996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.846996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.846996 (E_RNA) where: Base-Base interactions energy: -662.894 where: short stacking energy: -274.898 Base-Backbone interact. energy: -0.641 local terms energy: -281.311353 where: bonds (distance) C4'-P energy: -40.974 bonds (distance) P-C4' energy: -62.893 flat angles C4'-P-C4' energy: -72.063 flat angles P-C4'-P energy: -46.233 tors. eta vs tors. theta energy: -59.149 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: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -834.862929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.862929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.862929 (E_RNA) where: Base-Base interactions energy: -552.704 where: short stacking energy: -238.099 Base-Backbone interact. energy: -1.108 local terms energy: -281.051630 where: bonds (distance) C4'-P energy: -55.256 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -71.479 flat angles P-C4'-P energy: -43.025 tors. eta vs tors. theta energy: -47.052 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -516.869092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.869092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.869092 (E_RNA) where: Base-Base interactions energy: -294.765 where: short stacking energy: -168.635 Base-Backbone interact. energy: -1.167 local terms energy: -220.937404 where: bonds (distance) C4'-P energy: -54.085 bonds (distance) P-C4' energy: -57.571 flat angles C4'-P-C4' energy: -48.297 flat angles P-C4'-P energy: -25.831 tors. eta vs tors. theta energy: -35.154 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: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -554.152766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.152766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.152766 (E_RNA) where: Base-Base interactions energy: -316.136 where: short stacking energy: -170.765 Base-Backbone interact. energy: 0.359 local terms energy: -238.375875 where: bonds (distance) C4'-P energy: -59.486 bonds (distance) P-C4' energy: -57.533 flat angles C4'-P-C4' energy: -61.649 flat angles P-C4'-P energy: -27.431 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: 82 Temperature: 0.900000 Total energy: -1300.077072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.077072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.077072 (E_RNA) where: Base-Base interactions energy: -909.627 where: short stacking energy: -398.633 Base-Backbone interact. energy: -0.342 local terms energy: -390.108376 where: bonds (distance) C4'-P energy: -67.998 bonds (distance) P-C4' energy: -68.589 flat angles C4'-P-C4' energy: -79.530 flat angles P-C4'-P energy: -57.104 tors. eta vs tors. theta energy: -116.887 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: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1278.260699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.260699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.260699 (E_RNA) where: Base-Base interactions energy: -895.848 where: short stacking energy: -384.847 Base-Backbone interact. energy: -0.687 local terms energy: -381.725630 where: bonds (distance) C4'-P energy: -70.534 bonds (distance) P-C4' energy: -64.174 flat angles C4'-P-C4' energy: -77.160 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -111.201 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: 3, replica: 7 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1159.695499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.695499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.695499 (E_RNA) where: Base-Base interactions energy: -812.566 where: short stacking energy: -351.866 Base-Backbone interact. energy: -1.360 local terms energy: -345.769225 where: bonds (distance) C4'-P energy: -65.480 bonds (distance) P-C4' energy: -64.405 flat angles C4'-P-C4' energy: -75.285 flat angles P-C4'-P energy: -46.069 tors. eta vs tors. theta energy: -94.529 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: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1151.411276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.411276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.411276 (E_RNA) where: Base-Base interactions energy: -780.151 where: short stacking energy: -338.797 Base-Backbone interact. energy: 0.535 local terms energy: -371.795495 where: bonds (distance) C4'-P energy: -70.307 bonds (distance) P-C4' energy: -67.406 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -55.816 tors. eta vs tors. theta energy: -98.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1059.077209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.077209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.077209 (E_RNA) where: Base-Base interactions energy: -737.017 where: short stacking energy: -300.983 Base-Backbone interact. energy: 0.553 local terms energy: -322.613075 where: bonds (distance) C4'-P energy: -65.051 bonds (distance) P-C4' energy: -65.363 flat angles C4'-P-C4' energy: -64.724 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: -72.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1052.209549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.209549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.209549 (E_RNA) where: Base-Base interactions energy: -723.076 where: short stacking energy: -288.610 Base-Backbone interact. energy: -2.663 local terms energy: -326.471234 where: bonds (distance) C4'-P energy: -66.385 bonds (distance) P-C4' energy: -65.599 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -52.880 tors. eta vs tors. theta energy: -69.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -902.452431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.452431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.452431 (E_RNA) where: Base-Base interactions energy: -620.207 where: short stacking energy: -253.853 Base-Backbone interact. energy: 0.977 local terms energy: -283.222954 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -67.074 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -64.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -804.983768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.983768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.983768 (E_RNA) where: Base-Base interactions energy: -535.749 where: short stacking energy: -229.757 Base-Backbone interact. energy: 5.916 local terms energy: -275.150601 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -57.669 flat angles P-C4'-P energy: -43.242 tors. eta vs tors. theta energy: -41.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -552.322425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.322425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.322425 (E_RNA) where: Base-Base interactions energy: -342.524 where: short stacking energy: -202.896 Base-Backbone interact. energy: 1.798 local terms energy: -211.597337 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -56.283 flat angles C4'-P-C4' energy: -49.446 flat angles P-C4'-P energy: -20.327 tors. eta vs tors. theta energy: -32.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -482.497629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.497629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.497629 (E_RNA) where: Base-Base interactions energy: -281.345 where: short stacking energy: -153.678 Base-Backbone interact. energy: -1.295 local terms energy: -199.857851 where: bonds (distance) C4'-P energy: -50.268 bonds (distance) P-C4' energy: -64.582 flat angles C4'-P-C4' energy: -46.961 flat angles P-C4'-P energy: -28.917 tors. eta vs tors. theta energy: -9.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1279.669244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.669244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.669244 (E_RNA) where: Base-Base interactions energy: -902.386 where: short stacking energy: -392.648 Base-Backbone interact. energy: -0.952 local terms energy: -376.331937 where: bonds (distance) C4'-P energy: -64.293 bonds (distance) P-C4' energy: -73.240 flat angles C4'-P-C4' energy: -76.697 flat angles P-C4'-P energy: -54.788 tors. eta vs tors. theta energy: -107.313 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: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1247.527692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.527692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.527692 (E_RNA) where: Base-Base interactions energy: -870.901 where: short stacking energy: -376.662 Base-Backbone interact. energy: 0.462 local terms energy: -377.088728 where: bonds (distance) C4'-P energy: -69.685 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -76.170 flat angles P-C4'-P energy: -53.766 tors. eta vs tors. theta energy: -112.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1139.281596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.281596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.281596 (E_RNA) where: Base-Base interactions energy: -808.041 where: short stacking energy: -331.537 Base-Backbone interact. energy: -1.641 local terms energy: -329.598976 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -51.912 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -42.251 tors. eta vs tors. theta energy: -90.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1103.607818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.607818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.607818 (E_RNA) where: Base-Base interactions energy: -767.618 where: short stacking energy: -330.940 Base-Backbone interact. energy: -1.324 local terms energy: -334.665381 where: bonds (distance) C4'-P energy: -49.652 bonds (distance) P-C4' energy: -75.935 flat angles C4'-P-C4' energy: -75.062 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -85.440 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1083.570785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.570785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.570785 (E_RNA) where: Base-Base interactions energy: -767.040 where: short stacking energy: -328.204 Base-Backbone interact. energy: -2.853 local terms energy: -313.678096 where: bonds (distance) C4'-P energy: -55.172 bonds (distance) P-C4' energy: -63.658 flat angles C4'-P-C4' energy: -66.604 flat angles P-C4'-P energy: -43.182 tors. eta vs tors. theta energy: -85.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1016.969011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.969011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.969011 (E_RNA) where: Base-Base interactions energy: -710.917 where: short stacking energy: -292.911 Base-Backbone interact. energy: -1.781 local terms energy: -304.270314 where: bonds (distance) C4'-P energy: -57.999 bonds (distance) P-C4' energy: -61.715 flat angles C4'-P-C4' energy: -75.816 flat angles P-C4'-P energy: -37.931 tors. eta vs tors. theta energy: -70.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -956.195742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.195742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.195742 (E_RNA) where: Base-Base interactions energy: -666.775 where: short stacking energy: -280.855 Base-Backbone interact. energy: 0.367 local terms energy: -289.787082 where: bonds (distance) C4'-P energy: -53.401 bonds (distance) P-C4' energy: -53.785 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -34.810 tors. eta vs tors. theta energy: -73.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -783.474232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.474232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.474232 (E_RNA) where: Base-Base interactions energy: -518.768 where: short stacking energy: -231.861 Base-Backbone interact. energy: -1.266 local terms energy: -263.440506 where: bonds (distance) C4'-P energy: -58.092 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -61.049 flat angles P-C4'-P energy: -36.845 tors. eta vs tors. theta energy: -45.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -508.968942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.968942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.968942 (E_RNA) where: Base-Base interactions energy: -285.662 where: short stacking energy: -163.059 Base-Backbone interact. energy: -1.462 local terms energy: -221.844612 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -58.076 flat angles C4'-P-C4' energy: -53.258 flat angles P-C4'-P energy: -29.308 tors. eta vs tors. theta energy: -28.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -471.914684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.914684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.914684 (E_RNA) where: Base-Base interactions energy: -258.602 where: short stacking energy: -145.213 Base-Backbone interact. energy: 0.134 local terms energy: -213.446871 where: bonds (distance) C4'-P energy: -51.663 bonds (distance) P-C4' energy: -64.488 flat angles C4'-P-C4' energy: -46.847 flat angles P-C4'-P energy: -29.839 tors. eta vs tors. theta energy: -20.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1286.316679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.316679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.316679 (E_RNA) where: Base-Base interactions energy: -901.611 where: short stacking energy: -386.113 Base-Backbone interact. energy: 0.107 local terms energy: -384.813210 where: bonds (distance) C4'-P energy: -69.996 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -78.282 flat angles P-C4'-P energy: -60.545 tors. eta vs tors. theta energy: -108.421 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: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1236.187705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.187705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.187705 (E_RNA) where: Base-Base interactions energy: -865.722 where: short stacking energy: -360.789 Base-Backbone interact. energy: -0.833 local terms energy: -369.633084 where: bonds (distance) C4'-P energy: -65.783 bonds (distance) P-C4' energy: -70.038 flat angles C4'-P-C4' energy: -81.250 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: -107.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1192.249082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.249082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.249082 (E_RNA) where: Base-Base interactions energy: -831.765 where: short stacking energy: -354.309 Base-Backbone interact. energy: 6.241 local terms energy: -366.724591 where: bonds (distance) C4'-P energy: -70.244 bonds (distance) P-C4' energy: -76.838 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -53.089 tors. eta vs tors. theta energy: -94.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1119.627348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.627348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.627348 (E_RNA) where: Base-Base interactions energy: -768.167 where: short stacking energy: -350.060 Base-Backbone interact. energy: -3.129 local terms energy: -348.331247 where: bonds (distance) C4'-P energy: -64.936 bonds (distance) P-C4' energy: -65.948 flat angles C4'-P-C4' energy: -77.536 flat angles P-C4'-P energy: -50.334 tors. eta vs tors. theta energy: -89.577 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: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1058.144402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.144402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.144402 (E_RNA) where: Base-Base interactions energy: -737.570 where: short stacking energy: -308.419 Base-Backbone interact. energy: 2.180 local terms energy: -322.754571 where: bonds (distance) C4'-P energy: -68.885 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -57.538 flat angles P-C4'-P energy: -45.568 tors. eta vs tors. theta energy: -85.325 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: 6 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1028.060680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.060680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.060680 (E_RNA) where: Base-Base interactions energy: -727.163 where: short stacking energy: -303.804 Base-Backbone interact. energy: 0.631 local terms energy: -301.528673 where: bonds (distance) C4'-P energy: -54.103 bonds (distance) P-C4' energy: -67.946 flat angles C4'-P-C4' energy: -67.077 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -65.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -953.403853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.403853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.403853 (E_RNA) where: Base-Base interactions energy: -640.636 where: short stacking energy: -275.896 Base-Backbone interact. energy: -0.699 local terms energy: -312.067944 where: bonds (distance) C4'-P energy: -67.191 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -68.906 flat angles P-C4'-P energy: -41.599 tors. eta vs tors. theta energy: -72.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -790.597078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.597078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.597078 (E_RNA) where: Base-Base interactions energy: -532.069 where: short stacking energy: -258.536 Base-Backbone interact. energy: 0.853 local terms energy: -259.380957 where: bonds (distance) C4'-P energy: -40.572 bonds (distance) P-C4' energy: -53.843 flat angles C4'-P-C4' energy: -60.553 flat angles P-C4'-P energy: -36.151 tors. eta vs tors. theta energy: -68.262 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: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -466.831358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.831358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.831358 (E_RNA) where: Base-Base interactions energy: -259.419 where: short stacking energy: -146.910 Base-Backbone interact. energy: 1.787 local terms energy: -209.199662 where: bonds (distance) C4'-P energy: -57.852 bonds (distance) P-C4' energy: -61.921 flat angles C4'-P-C4' energy: -48.300 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: -9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -480.767863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.767863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.767863 (E_RNA) where: Base-Base interactions energy: -274.400 where: short stacking energy: -159.528 Base-Backbone interact. energy: 0.676 local terms energy: -207.043259 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -50.184 flat angles C4'-P-C4' energy: -40.754 flat angles P-C4'-P energy: -30.925 tors. eta vs tors. theta energy: -25.360 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: 1, replica: 4 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1280.539900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.539900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.539900 (E_RNA) where: Base-Base interactions energy: -897.482 where: short stacking energy: -395.328 Base-Backbone interact. energy: -1.305 local terms energy: -381.753481 where: bonds (distance) C4'-P energy: -64.371 bonds (distance) P-C4' energy: -66.732 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -111.253 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: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1239.643705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.643705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.643705 (E_RNA) where: Base-Base interactions energy: -877.160 where: short stacking energy: -358.176 Base-Backbone interact. energy: -0.656 local terms energy: -361.827265 where: bonds (distance) C4'-P energy: -67.024 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -100.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1194.020745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.020745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.020745 (E_RNA) where: Base-Base interactions energy: -830.422 where: short stacking energy: -338.930 Base-Backbone interact. energy: -1.393 local terms energy: -362.205807 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -73.654 flat angles C4'-P-C4' energy: -81.178 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -85.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1079.116788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.116788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.116788 (E_RNA) where: Base-Base interactions energy: -730.901 where: short stacking energy: -304.918 Base-Backbone interact. energy: -0.874 local terms energy: -347.341498 where: bonds (distance) C4'-P energy: -66.832 bonds (distance) P-C4' energy: -71.133 flat angles C4'-P-C4' energy: -75.572 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -89.300 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: 8 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1085.099670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.099670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.099670 (E_RNA) where: Base-Base interactions energy: -743.480 where: short stacking energy: -331.628 Base-Backbone interact. energy: -1.939 local terms energy: -339.680487 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -61.020 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -50.369 tors. eta vs tors. theta energy: -85.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1041.175004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.175004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.175004 (E_RNA) where: Base-Base interactions energy: -726.782 where: short stacking energy: -311.421 Base-Backbone interact. energy: 3.404 local terms energy: -317.796882 where: bonds (distance) C4'-P energy: -60.305 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -66.527 flat angles P-C4'-P energy: -49.111 tors. eta vs tors. theta energy: -71.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -951.054796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.054796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.054796 (E_RNA) where: Base-Base interactions energy: -650.573 where: short stacking energy: -265.041 Base-Backbone interact. energy: -1.709 local terms energy: -298.773058 where: bonds (distance) C4'-P energy: -51.301 bonds (distance) P-C4' energy: -66.220 flat angles C4'-P-C4' energy: -62.914 flat angles P-C4'-P energy: -48.148 tors. eta vs tors. theta energy: -70.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -771.549097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.549097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.549097 (E_RNA) where: Base-Base interactions energy: -505.561 where: short stacking energy: -229.070 Base-Backbone interact. energy: 0.598 local terms energy: -266.586155 where: bonds (distance) C4'-P energy: -60.523 bonds (distance) P-C4' energy: -52.490 flat angles C4'-P-C4' energy: -55.904 flat angles P-C4'-P energy: -44.353 tors. eta vs tors. theta energy: -53.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -488.574618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.574618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.574618 (E_RNA) where: Base-Base interactions energy: -261.665 where: short stacking energy: -155.365 Base-Backbone interact. energy: 1.717 local terms energy: -228.626715 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -59.580 flat angles C4'-P-C4' energy: -65.186 flat angles P-C4'-P energy: -31.523 tors. eta vs tors. theta energy: -13.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -525.726718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.726718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.726718 (E_RNA) where: Base-Base interactions energy: -310.169 where: short stacking energy: -179.663 Base-Backbone interact. energy: -0.970 local terms energy: -214.587414 where: bonds (distance) C4'-P energy: -50.959 bonds (distance) P-C4' energy: -56.955 flat angles C4'-P-C4' energy: -52.442 flat angles P-C4'-P energy: -26.764 tors. eta vs tors. theta energy: -27.468 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: 86 Temperature: 0.900000 Total energy: -1274.975530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.975530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.975530 (E_RNA) where: Base-Base interactions energy: -894.300 where: short stacking energy: -375.220 Base-Backbone interact. energy: -1.110 local terms energy: -379.565001 where: bonds (distance) C4'-P energy: -66.052 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -84.310 flat angles P-C4'-P energy: -57.562 tors. eta vs tors. theta energy: -107.667 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: 2, replica: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1241.736002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.736002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.736002 (E_RNA) where: Base-Base interactions energy: -892.551 where: short stacking energy: -369.168 Base-Backbone interact. energy: -1.728 local terms energy: -347.457480 where: bonds (distance) C4'-P energy: -60.574 bonds (distance) P-C4' energy: -70.622 flat angles C4'-P-C4' energy: -77.345 flat angles P-C4'-P energy: -37.745 tors. eta vs tors. theta energy: -101.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1187.829850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.829850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.829850 (E_RNA) where: Base-Base interactions energy: -852.209 where: short stacking energy: -370.798 Base-Backbone interact. energy: -0.433 local terms energy: -335.187972 where: bonds (distance) C4'-P energy: -48.921 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -75.402 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -96.151 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: 4, replica: 3 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1037.999694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.999694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.999694 (E_RNA) where: Base-Base interactions energy: -703.107 where: short stacking energy: -299.693 Base-Backbone interact. energy: 1.561 local terms energy: -336.454201 where: bonds (distance) C4'-P energy: -65.291 bonds (distance) P-C4' energy: -63.978 flat angles C4'-P-C4' energy: -77.632 flat angles P-C4'-P energy: -43.560 tors. eta vs tors. theta energy: -85.994 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: 5, replica: 8 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1065.193434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.193434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.193434 (E_RNA) where: Base-Base interactions energy: -735.411 where: short stacking energy: -333.113 Base-Backbone interact. energy: -2.955 local terms energy: -326.827691 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -59.373 flat angles C4'-P-C4' energy: -68.959 flat angles P-C4'-P energy: -54.728 tors. eta vs tors. theta energy: -90.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1050.927698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.927698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.927698 (E_RNA) where: Base-Base interactions energy: -745.806 where: short stacking energy: -282.490 Base-Backbone interact. energy: 0.480 local terms energy: -305.601288 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -69.098 flat angles C4'-P-C4' energy: -76.152 flat angles P-C4'-P energy: -40.513 tors. eta vs tors. theta energy: -67.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -940.634844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.634844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.634844 (E_RNA) where: Base-Base interactions energy: -648.847 where: short stacking energy: -270.851 Base-Backbone interact. energy: 1.661 local terms energy: -293.449569 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -53.777 flat angles C4'-P-C4' energy: -65.838 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -62.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -774.666705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.666705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.666705 (E_RNA) where: Base-Base interactions energy: -512.474 where: short stacking energy: -229.346 Base-Backbone interact. energy: -1.771 local terms energy: -260.421460 where: bonds (distance) C4'-P energy: -52.253 bonds (distance) P-C4' energy: -67.566 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -32.031 tors. eta vs tors. theta energy: -42.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -563.867729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.867729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.867729 (E_RNA) where: Base-Base interactions energy: -381.780 where: short stacking energy: -181.508 Base-Backbone interact. energy: 0.723 local terms energy: -182.811445 where: bonds (distance) C4'-P energy: -41.655 bonds (distance) P-C4' energy: -55.786 flat angles C4'-P-C4' energy: -50.116 flat angles P-C4'-P energy: -13.392 tors. eta vs tors. theta energy: -21.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -466.369625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.369625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.369625 (E_RNA) where: Base-Base interactions energy: -257.883 where: short stacking energy: -144.788 Base-Backbone interact. energy: 0.395 local terms energy: -208.881886 where: bonds (distance) C4'-P energy: -50.863 bonds (distance) P-C4' energy: -47.675 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -38.701 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1269.743515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.743515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.743515 (E_RNA) where: Base-Base interactions energy: -899.293 where: short stacking energy: -385.777 Base-Backbone interact. energy: -1.349 local terms energy: -369.101278 where: bonds (distance) C4'-P energy: -73.021 bonds (distance) P-C4' energy: -60.197 flat angles C4'-P-C4' energy: -79.768 flat angles P-C4'-P energy: -52.834 tors. eta vs tors. theta energy: -103.282 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: 2, replica: 9 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1248.397501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.397501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.397501 (E_RNA) where: Base-Base interactions energy: -866.012 where: short stacking energy: -391.143 Base-Backbone interact. energy: -1.421 local terms energy: -380.963874 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -57.312 flat angles C4'-P-C4' energy: -80.072 flat angles P-C4'-P energy: -61.558 tors. eta vs tors. theta energy: -116.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1177.204494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.204494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.204494 (E_RNA) where: Base-Base interactions energy: -832.294 where: short stacking energy: -348.393 Base-Backbone interact. energy: -0.807 local terms energy: -344.102913 where: bonds (distance) C4'-P energy: -62.795 bonds (distance) P-C4' energy: -76.289 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -42.041 tors. eta vs tors. theta energy: -91.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1102.168363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.168363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.168363 (E_RNA) where: Base-Base interactions energy: -772.876 where: short stacking energy: -339.563 Base-Backbone interact. energy: -2.605 local terms energy: -326.686589 where: bonds (distance) C4'-P energy: -56.954 bonds (distance) P-C4' energy: -62.267 flat angles C4'-P-C4' energy: -60.350 flat angles P-C4'-P energy: -53.809 tors. eta vs tors. theta energy: -93.307 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: 3 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1020.397540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.397540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.397540 (E_RNA) where: Base-Base interactions energy: -686.310 where: short stacking energy: -290.890 Base-Backbone interact. energy: -0.903 local terms energy: -333.185042 where: bonds (distance) C4'-P energy: -72.488 bonds (distance) P-C4' energy: -64.308 flat angles C4'-P-C4' energy: -74.408 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -78.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1064.832762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.832762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.832762 (E_RNA) where: Base-Base interactions energy: -747.484 where: short stacking energy: -308.709 Base-Backbone interact. energy: -2.340 local terms energy: -315.009164 where: bonds (distance) C4'-P energy: -52.286 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -70.110 flat angles P-C4'-P energy: -42.766 tors. eta vs tors. theta energy: -80.137 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: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -929.810807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.810807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.810807 (E_RNA) where: Base-Base interactions energy: -638.931 where: short stacking energy: -275.941 Base-Backbone interact. energy: -0.797 local terms energy: -290.082661 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -29.000 tors. eta vs tors. theta energy: -62.421 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: 5 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -701.346512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.346512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.346512 (E_RNA) where: Base-Base interactions energy: -458.940 where: short stacking energy: -199.325 Base-Backbone interact. energy: 0.041 local terms energy: -242.446953 where: bonds (distance) C4'-P energy: -51.034 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -58.230 flat angles P-C4'-P energy: -37.956 tors. eta vs tors. theta energy: -28.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -614.362928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.362928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.362928 (E_RNA) where: Base-Base interactions energy: -358.488 where: short stacking energy: -170.410 Base-Backbone interact. energy: -2.380 local terms energy: -253.494790 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -63.900 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -19.899 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: 10, replica: 1 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -545.184412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.184412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.184412 (E_RNA) where: Base-Base interactions energy: -323.790 where: short stacking energy: -179.330 Base-Backbone interact. energy: -0.025 local terms energy: -221.369400 where: bonds (distance) C4'-P energy: -49.755 bonds (distance) P-C4' energy: -53.716 flat angles C4'-P-C4' energy: -62.359 flat angles P-C4'-P energy: -27.077 tors. eta vs tors. theta energy: -28.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1281.258616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.258616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.258616 (E_RNA) where: Base-Base interactions energy: -894.840 where: short stacking energy: -388.491 Base-Backbone interact. energy: -2.477 local terms energy: -383.941379 where: bonds (distance) C4'-P energy: -75.187 bonds (distance) P-C4' energy: -66.209 flat angles C4'-P-C4' energy: -75.112 flat angles P-C4'-P energy: -52.429 tors. eta vs tors. theta energy: -115.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1254.251204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.251204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.251204 (E_RNA) where: Base-Base interactions energy: -880.894 where: short stacking energy: -378.704 Base-Backbone interact. energy: -0.934 local terms energy: -372.422855 where: bonds (distance) C4'-P energy: -69.039 bonds (distance) P-C4' energy: -67.216 flat angles C4'-P-C4' energy: -76.543 flat angles P-C4'-P energy: -57.479 tors. eta vs tors. theta energy: -102.147 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: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1166.333440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.333440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.333440 (E_RNA) where: Base-Base interactions energy: -815.319 where: short stacking energy: -334.990 Base-Backbone interact. energy: -0.775 local terms energy: -350.238736 where: bonds (distance) C4'-P energy: -71.583 bonds (distance) P-C4' energy: -63.974 flat angles C4'-P-C4' energy: -78.766 flat angles P-C4'-P energy: -46.229 tors. eta vs tors. theta energy: -89.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1086.877606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.877606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.877606 (E_RNA) where: Base-Base interactions energy: -755.845 where: short stacking energy: -328.320 Base-Backbone interact. energy: -2.927 local terms energy: -328.105611 where: bonds (distance) C4'-P energy: -63.026 bonds (distance) P-C4' energy: -45.767 flat angles C4'-P-C4' energy: -78.689 flat angles P-C4'-P energy: -48.643 tors. eta vs tors. theta energy: -91.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1060.667893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.667893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.667893 (E_RNA) where: Base-Base interactions energy: -749.130 where: short stacking energy: -317.587 Base-Backbone interact. energy: 0.019 local terms energy: -311.556187 where: bonds (distance) C4'-P energy: -47.826 bonds (distance) P-C4' energy: -75.649 flat angles C4'-P-C4' energy: -69.176 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: -76.360 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: 3 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -942.228680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.228680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.228680 (E_RNA) where: Base-Base interactions energy: -640.691 where: short stacking energy: -270.553 Base-Backbone interact. energy: 0.247 local terms energy: -301.784948 where: bonds (distance) C4'-P energy: -56.994 bonds (distance) P-C4' energy: -76.348 flat angles C4'-P-C4' energy: -68.686 flat angles P-C4'-P energy: -38.306 tors. eta vs tors. theta energy: -61.451 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: 10 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -972.262352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.262352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.262352 (E_RNA) where: Base-Base interactions energy: -663.332 where: short stacking energy: -293.435 Base-Backbone interact. energy: -1.905 local terms energy: -307.025626 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -67.578 flat angles P-C4'-P energy: -33.494 tors. eta vs tors. theta energy: -81.447 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: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -784.354211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.354211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.354211 (E_RNA) where: Base-Base interactions energy: -533.960 where: short stacking energy: -215.349 Base-Backbone interact. energy: 0.626 local terms energy: -251.019410 where: bonds (distance) C4'-P energy: -60.781 bonds (distance) P-C4' energy: -52.383 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -26.147 tors. eta vs tors. theta energy: -52.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -571.775263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.775263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.775263 (E_RNA) where: Base-Base interactions energy: -352.561 where: short stacking energy: -173.470 Base-Backbone interact. energy: 2.926 local terms energy: -222.140695 where: bonds (distance) C4'-P energy: -53.481 bonds (distance) P-C4' energy: -52.620 flat angles C4'-P-C4' energy: -52.215 flat angles P-C4'-P energy: -33.695 tors. eta vs tors. theta energy: -30.130 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: 10, replica: 2 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -534.757743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.757743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.757743 (E_RNA) where: Base-Base interactions energy: -317.991 where: short stacking energy: -153.431 Base-Backbone interact. energy: -1.163 local terms energy: -215.603508 where: bonds (distance) C4'-P energy: -51.805 bonds (distance) P-C4' energy: -62.262 flat angles C4'-P-C4' energy: -51.042 flat angles P-C4'-P energy: -31.667 tors. eta vs tors. theta energy: -18.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1272.871292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.871292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.871292 (E_RNA) where: Base-Base interactions energy: -888.072 where: short stacking energy: -383.043 Base-Backbone interact. energy: 1.164 local terms energy: -385.963109 where: bonds (distance) C4'-P energy: -69.931 bonds (distance) P-C4' energy: -67.518 flat angles C4'-P-C4' energy: -82.384 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -109.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1257.782088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.782088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.782088 (E_RNA) where: Base-Base interactions energy: -872.007 where: short stacking energy: -387.332 Base-Backbone interact. energy: 0.923 local terms energy: -386.698594 where: bonds (distance) C4'-P energy: -66.706 bonds (distance) P-C4' energy: -70.142 flat angles C4'-P-C4' energy: -83.939 flat angles P-C4'-P energy: -55.384 tors. eta vs tors. theta energy: -110.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1187.916994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.916994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.916994 (E_RNA) where: Base-Base interactions energy: -852.468 where: short stacking energy: -355.398 Base-Backbone interact. energy: -1.564 local terms energy: -333.885269 where: bonds (distance) C4'-P energy: -56.292 bonds (distance) P-C4' energy: -64.314 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -47.328 tors. eta vs tors. theta energy: -94.374 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: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1066.434546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.434546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.434546 (E_RNA) where: Base-Base interactions energy: -746.085 where: short stacking energy: -304.966 Base-Backbone interact. energy: -1.324 local terms energy: -319.025538 where: bonds (distance) C4'-P energy: -57.345 bonds (distance) P-C4' energy: -70.771 flat angles C4'-P-C4' energy: -70.470 flat angles P-C4'-P energy: -43.878 tors. eta vs tors. theta energy: -76.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1073.924303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.924303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.924303 (E_RNA) where: Base-Base interactions energy: -759.964 where: short stacking energy: -315.148 Base-Backbone interact. energy: -0.210 local terms energy: -313.751109 where: bonds (distance) C4'-P energy: -54.602 bonds (distance) P-C4' energy: -61.875 flat angles C4'-P-C4' energy: -70.302 flat angles P-C4'-P energy: -44.781 tors. eta vs tors. theta energy: -82.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -972.502512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.502512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.502512 (E_RNA) where: Base-Base interactions energy: -684.150 where: short stacking energy: -286.093 Base-Backbone interact. energy: -1.264 local terms energy: -287.087907 where: bonds (distance) C4'-P energy: -50.493 bonds (distance) P-C4' energy: -59.929 flat angles C4'-P-C4' energy: -59.511 flat angles P-C4'-P energy: -52.278 tors. eta vs tors. theta energy: -64.876 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: 89 Temperature: 1.200000 Total energy: -929.215831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.215831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.215831 (E_RNA) where: Base-Base interactions energy: -639.664 where: short stacking energy: -279.625 Base-Backbone interact. energy: -0.244 local terms energy: -289.307551 where: bonds (distance) C4'-P energy: -49.714 bonds (distance) P-C4' energy: -56.630 flat angles C4'-P-C4' energy: -65.016 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -70.392 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: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -755.952403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.952403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.952403 (E_RNA) where: Base-Base interactions energy: -497.430 where: short stacking energy: -229.785 Base-Backbone interact. energy: -1.267 local terms energy: -257.255267 where: bonds (distance) C4'-P energy: -45.750 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -54.520 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: 1 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -478.841538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.841538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.841538 (E_RNA) where: Base-Base interactions energy: -264.215 where: short stacking energy: -137.849 Base-Backbone interact. energy: 3.436 local terms energy: -218.062543 where: bonds (distance) C4'-P energy: -61.500 bonds (distance) P-C4' energy: -59.961 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -22.159 tors. eta vs tors. theta energy: -11.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -537.485561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.485561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.485561 (E_RNA) where: Base-Base interactions energy: -314.306 where: short stacking energy: -156.980 Base-Backbone interact. energy: -0.423 local terms energy: -222.756249 where: bonds (distance) C4'-P energy: -57.638 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -56.196 flat angles P-C4'-P energy: -25.385 tors. eta vs tors. theta energy: -17.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1296.831853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.831853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.831853 (E_RNA) where: Base-Base interactions energy: -905.887 where: short stacking energy: -399.758 Base-Backbone interact. energy: -1.839 local terms energy: -389.106627 where: bonds (distance) C4'-P energy: -68.931 bonds (distance) P-C4' energy: -72.054 flat angles C4'-P-C4' energy: -79.456 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -115.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1255.257214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.257214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.257214 (E_RNA) where: Base-Base interactions energy: -873.387 where: short stacking energy: -373.736 Base-Backbone interact. energy: -1.043 local terms energy: -380.827430 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -67.648 flat angles C4'-P-C4' energy: -77.365 flat angles P-C4'-P energy: -58.205 tors. eta vs tors. theta energy: -109.931 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: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1188.972592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.972592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.972592 (E_RNA) where: Base-Base interactions energy: -837.704 where: short stacking energy: -353.397 Base-Backbone interact. energy: -1.085 local terms energy: -350.183845 where: bonds (distance) C4'-P energy: -65.285 bonds (distance) P-C4' energy: -74.333 flat angles C4'-P-C4' energy: -69.811 flat angles P-C4'-P energy: -48.415 tors. eta vs tors. theta energy: -92.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1099.363018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.363018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.363018 (E_RNA) where: Base-Base interactions energy: -763.139 where: short stacking energy: -313.757 Base-Backbone interact. energy: 0.050 local terms energy: -336.274182 where: bonds (distance) C4'-P energy: -68.251 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -77.835 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: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1070.480596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.480596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.480596 (E_RNA) where: Base-Base interactions energy: -742.677 where: short stacking energy: -304.973 Base-Backbone interact. energy: -1.532 local terms energy: -326.272082 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -69.887 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -78.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -989.597541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.597541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.597541 (E_RNA) where: Base-Base interactions energy: -685.428 where: short stacking energy: -287.293 Base-Backbone interact. energy: 2.000 local terms energy: -306.169564 where: bonds (distance) C4'-P energy: -64.134 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -48.271 tors. eta vs tors. theta energy: -63.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -968.416057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.416057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.416057 (E_RNA) where: Base-Base interactions energy: -676.552 where: short stacking energy: -290.840 Base-Backbone interact. energy: -1.266 local terms energy: -290.597290 where: bonds (distance) C4'-P energy: -51.798 bonds (distance) P-C4' energy: -65.782 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -23.107 tors. eta vs tors. theta energy: -76.823 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: 90 Temperature: 1.250000 Total energy: -742.008955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.008955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.008955 (E_RNA) where: Base-Base interactions energy: -491.696 where: short stacking energy: -226.114 Base-Backbone interact. energy: -0.327 local terms energy: -249.986458 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -46.198 flat angles C4'-P-C4' energy: -46.716 flat angles P-C4'-P energy: -47.899 tors. eta vs tors. theta energy: -41.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -523.004429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.004429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.004429 (E_RNA) where: Base-Base interactions energy: -301.443 where: short stacking energy: -155.893 Base-Backbone interact. energy: -1.125 local terms energy: -220.436340 where: bonds (distance) C4'-P energy: -52.528 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -56.925 flat angles P-C4'-P energy: -33.517 tors. eta vs tors. theta energy: -17.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -484.422172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.422172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.422172 (E_RNA) where: Base-Base interactions energy: -282.805 where: short stacking energy: -138.444 Base-Backbone interact. energy: 1.054 local terms energy: -202.670599 where: bonds (distance) C4'-P energy: -57.419 bonds (distance) P-C4' energy: -54.036 flat angles C4'-P-C4' energy: -47.891 flat angles P-C4'-P energy: -35.419 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1289.707101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.707101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.707101 (E_RNA) where: Base-Base interactions energy: -898.225 where: short stacking energy: -392.516 Base-Backbone interact. energy: -1.662 local terms energy: -389.819675 where: bonds (distance) C4'-P energy: -67.809 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -81.861 flat angles P-C4'-P energy: -58.703 tors. eta vs tors. theta energy: -115.318 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: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1263.608406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.608406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.608406 (E_RNA) where: Base-Base interactions energy: -883.589 where: short stacking energy: -406.479 Base-Backbone interact. energy: -1.110 local terms energy: -378.909214 where: bonds (distance) C4'-P energy: -68.378 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -80.830 flat angles P-C4'-P energy: -54.972 tors. eta vs tors. theta energy: -111.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1197.851574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.851574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.851574 (E_RNA) where: Base-Base interactions energy: -843.155 where: short stacking energy: -343.803 Base-Backbone interact. energy: -0.221 local terms energy: -354.475674 where: bonds (distance) C4'-P energy: -62.291 bonds (distance) P-C4' energy: -73.636 flat angles C4'-P-C4' energy: -77.745 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -89.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1092.446153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.446153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.446153 (E_RNA) where: Base-Base interactions energy: -758.009 where: short stacking energy: -302.445 Base-Backbone interact. energy: 3.737 local terms energy: -338.173771 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -76.185 flat angles P-C4'-P energy: -54.822 tors. eta vs tors. theta energy: -67.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1078.797287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.797287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.797287 (E_RNA) where: Base-Base interactions energy: -744.097 where: short stacking energy: -325.195 Base-Backbone interact. energy: -1.668 local terms energy: -333.031866 where: bonds (distance) C4'-P energy: -55.151 bonds (distance) P-C4' energy: -70.046 flat angles C4'-P-C4' energy: -76.649 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -84.261 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: 10 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -997.336294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.336294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.336294 (E_RNA) where: Base-Base interactions energy: -699.910 where: short stacking energy: -306.369 Base-Backbone interact. energy: -0.763 local terms energy: -296.663126 where: bonds (distance) C4'-P energy: -58.786 bonds (distance) P-C4' energy: -54.639 flat angles C4'-P-C4' energy: -59.010 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -73.862 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: 7, replica: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -939.260416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.260416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.260416 (E_RNA) where: Base-Base interactions energy: -639.164 where: short stacking energy: -283.666 Base-Backbone interact. energy: -1.621 local terms energy: -298.475255 where: bonds (distance) C4'-P energy: -69.132 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -56.664 flat angles P-C4'-P energy: -39.771 tors. eta vs tors. theta energy: -68.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -749.444120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.444120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.444120 (E_RNA) where: Base-Base interactions energy: -498.041 where: short stacking energy: -223.536 Base-Backbone interact. energy: -0.695 local terms energy: -250.707908 where: bonds (distance) C4'-P energy: -51.193 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -57.791 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: -41.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -516.693492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.693492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.693492 (E_RNA) where: Base-Base interactions energy: -264.457 where: short stacking energy: -159.869 Base-Backbone interact. energy: -1.289 local terms energy: -250.947416 where: bonds (distance) C4'-P energy: -68.003 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -64.993 flat angles P-C4'-P energy: -32.115 tors. eta vs tors. theta energy: -22.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -479.014905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.014905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.014905 (E_RNA) where: Base-Base interactions energy: -263.054 where: short stacking energy: -144.032 Base-Backbone interact. energy: 4.902 local terms energy: -220.862998 where: bonds (distance) C4'-P energy: -59.028 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -48.285 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -14.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1258.712551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.712551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.712551 (E_RNA) where: Base-Base interactions energy: -872.044 where: short stacking energy: -392.460 Base-Backbone interact. energy: -1.456 local terms energy: -385.212445 where: bonds (distance) C4'-P energy: -72.678 bonds (distance) P-C4' energy: -69.029 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -50.546 tors. eta vs tors. theta energy: -111.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1269.086987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.086987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.086987 (E_RNA) where: Base-Base interactions energy: -893.345 where: short stacking energy: -390.957 Base-Backbone interact. energy: 0.134 local terms energy: -375.876086 where: bonds (distance) C4'-P energy: -68.731 bonds (distance) P-C4' energy: -76.626 flat angles C4'-P-C4' energy: -74.647 flat angles P-C4'-P energy: -47.222 tors. eta vs tors. theta energy: -108.650 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: 7 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1187.143578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.143578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.143578 (E_RNA) where: Base-Base interactions energy: -817.669 where: short stacking energy: -343.705 Base-Backbone interact. energy: -1.387 local terms energy: -368.088013 where: bonds (distance) C4'-P energy: -72.489 bonds (distance) P-C4' energy: -73.167 flat angles C4'-P-C4' energy: -74.961 flat angles P-C4'-P energy: -44.006 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: 4, replica: 6 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1087.316702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.316702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.316702 (E_RNA) where: Base-Base interactions energy: -775.056 where: short stacking energy: -329.686 Base-Backbone interact. energy: -0.642 local terms energy: -311.617849 where: bonds (distance) C4'-P energy: -52.550 bonds (distance) P-C4' energy: -59.182 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -47.061 tors. eta vs tors. theta energy: -83.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1055.508776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.508776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.508776 (E_RNA) where: Base-Base interactions energy: -754.867 where: short stacking energy: -318.276 Base-Backbone interact. energy: 1.334 local terms energy: -301.975950 where: bonds (distance) C4'-P energy: -61.484 bonds (distance) P-C4' energy: -56.733 flat angles C4'-P-C4' energy: -60.611 flat angles P-C4'-P energy: -53.578 tors. eta vs tors. theta energy: -69.569 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: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1028.435315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.435315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.435315 (E_RNA) where: Base-Base interactions energy: -690.386 where: short stacking energy: -297.354 Base-Backbone interact. energy: -0.622 local terms energy: -337.426997 where: bonds (distance) C4'-P energy: -69.778 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -74.998 flat angles P-C4'-P energy: -46.298 tors. eta vs tors. theta energy: -80.665 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: 92 Temperature: 1.200000 Total energy: -934.412550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.412550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.412550 (E_RNA) where: Base-Base interactions energy: -637.507 where: short stacking energy: -283.829 Base-Backbone interact. energy: 1.152 local terms energy: -298.057937 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -58.746 flat angles C4'-P-C4' energy: -63.112 flat angles P-C4'-P energy: -45.893 tors. eta vs tors. theta energy: -66.472 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: 5 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -747.007735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.007735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.007735 (E_RNA) where: Base-Base interactions energy: -477.082 where: short stacking energy: -213.152 Base-Backbone interact. energy: -0.512 local terms energy: -269.414164 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -63.156 flat angles C4'-P-C4' energy: -49.916 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -48.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -538.066041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.066041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.066041 (E_RNA) where: Base-Base interactions energy: -297.263 where: short stacking energy: -171.989 Base-Backbone interact. energy: 0.654 local terms energy: -241.456314 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -66.815 flat angles C4'-P-C4' energy: -50.272 flat angles P-C4'-P energy: -37.403 tors. eta vs tors. theta energy: -25.157 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: 92 Temperature: 1.350000 Total energy: -465.349264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.349264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.349264 (E_RNA) where: Base-Base interactions energy: -258.369 where: short stacking energy: -143.368 Base-Backbone interact. energy: 3.275 local terms energy: -210.254876 where: bonds (distance) C4'-P energy: -47.881 bonds (distance) P-C4' energy: -51.553 flat angles C4'-P-C4' energy: -68.552 flat angles P-C4'-P energy: -32.985 tors. eta vs tors. theta energy: -9.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1260.928481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.928481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.928481 (E_RNA) where: Base-Base interactions energy: -873.817 where: short stacking energy: -392.614 Base-Backbone interact. energy: -1.265 local terms energy: -385.846908 where: bonds (distance) C4'-P energy: -69.731 bonds (distance) P-C4' energy: -67.676 flat angles C4'-P-C4' energy: -78.747 flat angles P-C4'-P energy: -56.258 tors. eta vs tors. theta energy: -113.435 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: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1247.108069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.108069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.108069 (E_RNA) where: Base-Base interactions energy: -887.545 where: short stacking energy: -371.798 Base-Backbone interact. energy: -0.983 local terms energy: -358.579147 where: bonds (distance) C4'-P energy: -55.239 bonds (distance) P-C4' energy: -70.466 flat angles C4'-P-C4' energy: -77.946 flat angles P-C4'-P energy: -48.592 tors. eta vs tors. theta energy: -106.337 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: 7 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1157.889244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.889244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.889244 (E_RNA) where: Base-Base interactions energy: -798.711 where: short stacking energy: -331.312 Base-Backbone interact. energy: -2.688 local terms energy: -356.490735 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -74.609 flat angles C4'-P-C4' energy: -75.041 flat angles P-C4'-P energy: -54.442 tors. eta vs tors. theta energy: -86.108 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: 6 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1128.559049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.559049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.559049 (E_RNA) where: Base-Base interactions energy: -797.484 where: short stacking energy: -339.139 Base-Backbone interact. energy: -1.363 local terms energy: -329.712344 where: bonds (distance) C4'-P energy: -71.566 bonds (distance) P-C4' energy: -58.053 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -82.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -987.894182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.894182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.894182 (E_RNA) where: Base-Base interactions energy: -676.570 where: short stacking energy: -284.471 Base-Backbone interact. energy: -1.854 local terms energy: -309.470020 where: bonds (distance) C4'-P energy: -47.938 bonds (distance) P-C4' energy: -77.686 flat angles C4'-P-C4' energy: -71.034 flat angles P-C4'-P energy: -39.191 tors. eta vs tors. theta energy: -73.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1008.794004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.794004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.794004 (E_RNA) where: Base-Base interactions energy: -680.500 where: short stacking energy: -287.958 Base-Backbone interact. energy: -0.935 local terms energy: -327.359329 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -66.891 flat angles C4'-P-C4' energy: -65.192 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -76.536 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: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -968.411511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.411511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.411511 (E_RNA) where: Base-Base interactions energy: -676.071 where: short stacking energy: -305.632 Base-Backbone interact. energy: -0.416 local terms energy: -291.924672 where: bonds (distance) C4'-P energy: -64.017 bonds (distance) P-C4' energy: -55.490 flat angles C4'-P-C4' energy: -64.019 flat angles P-C4'-P energy: -31.485 tors. eta vs tors. theta energy: -76.914 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: 8, replica: 5 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -782.426212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.426212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.426212 (E_RNA) where: Base-Base interactions energy: -501.173 where: short stacking energy: -237.103 Base-Backbone interact. energy: -0.143 local terms energy: -281.109555 where: bonds (distance) C4'-P energy: -57.068 bonds (distance) P-C4' energy: -63.703 flat angles C4'-P-C4' energy: -64.739 flat angles P-C4'-P energy: -35.289 tors. eta vs tors. theta energy: -60.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -526.163442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.163442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.163442 (E_RNA) where: Base-Base interactions energy: -295.967 where: short stacking energy: -192.648 Base-Backbone interact. energy: 2.555 local terms energy: -232.751019 where: bonds (distance) C4'-P energy: -61.900 bonds (distance) P-C4' energy: -61.399 flat angles C4'-P-C4' energy: -54.186 flat angles P-C4'-P energy: -21.278 tors. eta vs tors. theta energy: -33.988 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: 1 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -443.247307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.247307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.247307 (E_RNA) where: Base-Base interactions energy: -221.290 where: short stacking energy: -126.301 Base-Backbone interact. energy: -4.251 local terms energy: -217.706391 where: bonds (distance) C4'-P energy: -57.089 bonds (distance) P-C4' energy: -66.555 flat angles C4'-P-C4' energy: -58.318 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -13.238 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: 94 Temperature: 0.900000 Total energy: -1274.961805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.961805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.961805 (E_RNA) where: Base-Base interactions energy: -901.301 where: short stacking energy: -400.395 Base-Backbone interact. energy: -1.009 local terms energy: -372.651960 where: bonds (distance) C4'-P energy: -67.416 bonds (distance) P-C4' energy: -74.098 flat angles C4'-P-C4' energy: -77.596 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -109.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1245.718220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.718220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.718220 (E_RNA) where: Base-Base interactions energy: -870.950 where: short stacking energy: -369.406 Base-Backbone interact. energy: -2.316 local terms energy: -372.451661 where: bonds (distance) C4'-P energy: -56.177 bonds (distance) P-C4' energy: -78.553 flat angles C4'-P-C4' energy: -75.968 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -106.603 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: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1173.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.820128 (E_RNA) where: Base-Base interactions energy: -819.933 where: short stacking energy: -346.844 Base-Backbone interact. energy: -1.134 local terms energy: -352.752857 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -75.214 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -92.501 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1120.970213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.970213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.970213 (E_RNA) where: Base-Base interactions energy: -785.767 where: short stacking energy: -320.782 Base-Backbone interact. energy: 0.540 local terms energy: -335.743236 where: bonds (distance) C4'-P energy: -57.504 bonds (distance) P-C4' energy: -68.789 flat angles C4'-P-C4' energy: -78.056 flat angles P-C4'-P energy: -54.064 tors. eta vs tors. theta energy: -77.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1044.468535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.468535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.468535 (E_RNA) where: Base-Base interactions energy: -722.500 where: short stacking energy: -319.335 Base-Backbone interact. energy: -2.826 local terms energy: -319.143230 where: bonds (distance) C4'-P energy: -65.028 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -68.540 flat angles P-C4'-P energy: -46.230 tors. eta vs tors. theta energy: -74.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -999.893848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.893848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.893848 (E_RNA) where: Base-Base interactions energy: -685.434 where: short stacking energy: -273.866 Base-Backbone interact. energy: 1.161 local terms energy: -315.621618 where: bonds (distance) C4'-P energy: -58.196 bonds (distance) P-C4' energy: -75.108 flat angles C4'-P-C4' energy: -70.210 flat angles P-C4'-P energy: -40.073 tors. eta vs tors. theta energy: -72.035 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: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -911.991541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.991541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.991541 (E_RNA) where: Base-Base interactions energy: -599.415 where: short stacking energy: -257.291 Base-Backbone interact. energy: -1.348 local terms energy: -311.228581 where: bonds (distance) C4'-P energy: -56.280 bonds (distance) P-C4' energy: -70.215 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: -67.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -811.218806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.218806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.218806 (E_RNA) where: Base-Base interactions energy: -545.227 where: short stacking energy: -229.929 Base-Backbone interact. energy: -1.182 local terms energy: -264.809617 where: bonds (distance) C4'-P energy: -54.961 bonds (distance) P-C4' energy: -52.727 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -49.151 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: 94 Temperature: 1.300000 Total energy: -515.960600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.960600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.960600 (E_RNA) where: Base-Base interactions energy: -269.612 where: short stacking energy: -153.480 Base-Backbone interact. energy: -0.511 local terms energy: -245.837680 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -56.206 flat angles P-C4'-P energy: -28.377 tors. eta vs tors. theta energy: -33.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -414.190399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.190399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.190399 (E_RNA) where: Base-Base interactions energy: -212.632 where: short stacking energy: -132.066 Base-Backbone interact. energy: -1.126 local terms energy: -200.432696 where: bonds (distance) C4'-P energy: -50.426 bonds (distance) P-C4' energy: -61.275 flat angles C4'-P-C4' energy: -48.968 flat angles P-C4'-P energy: -27.347 tors. eta vs tors. theta energy: -12.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1251.743924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.743924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.743924 (E_RNA) where: Base-Base interactions energy: -865.919 where: short stacking energy: -372.842 Base-Backbone interact. energy: -0.459 local terms energy: -385.365757 where: bonds (distance) C4'-P energy: -68.865 bonds (distance) P-C4' energy: -69.909 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -56.456 tors. eta vs tors. theta energy: -112.076 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: 95 Temperature: 0.950000 Total energy: -1250.354848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.354848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.354848 (E_RNA) where: Base-Base interactions energy: -869.000 where: short stacking energy: -381.235 Base-Backbone interact. energy: -2.492 local terms energy: -378.861959 where: bonds (distance) C4'-P energy: -60.635 bonds (distance) P-C4' energy: -76.918 flat angles C4'-P-C4' energy: -84.868 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -108.205 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: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1158.905677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.905677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.905677 (E_RNA) where: Base-Base interactions energy: -814.793 where: short stacking energy: -358.800 Base-Backbone interact. energy: 3.093 local terms energy: -347.205613 where: bonds (distance) C4'-P energy: -57.862 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -79.274 flat angles P-C4'-P energy: -54.983 tors. eta vs tors. theta energy: -91.676 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: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1094.412219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.412219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.412219 (E_RNA) where: Base-Base interactions energy: -786.814 where: short stacking energy: -312.172 Base-Backbone interact. energy: -0.178 local terms energy: -307.420268 where: bonds (distance) C4'-P energy: -59.769 bonds (distance) P-C4' energy: -46.695 flat angles C4'-P-C4' energy: -75.231 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -74.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1036.669503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.669503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.669503 (E_RNA) where: Base-Base interactions energy: -699.013 where: short stacking energy: -315.150 Base-Backbone interact. energy: -3.507 local terms energy: -334.149862 where: bonds (distance) C4'-P energy: -65.277 bonds (distance) P-C4' energy: -70.330 flat angles C4'-P-C4' energy: -73.279 flat angles P-C4'-P energy: -42.176 tors. eta vs tors. theta energy: -83.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1005.562653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.562653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.562653 (E_RNA) where: Base-Base interactions energy: -698.021 where: short stacking energy: -299.175 Base-Backbone interact. energy: 0.557 local terms energy: -308.098956 where: bonds (distance) C4'-P energy: -57.849 bonds (distance) P-C4' energy: -66.974 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -38.077 tors. eta vs tors. theta energy: -75.549 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: 95 Temperature: 1.200000 Total energy: -935.204200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.204200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.204200 (E_RNA) where: Base-Base interactions energy: -625.606 where: short stacking energy: -285.816 Base-Backbone interact. energy: 1.697 local terms energy: -311.295559 where: bonds (distance) C4'-P energy: -55.795 bonds (distance) P-C4' energy: -64.748 flat angles C4'-P-C4' energy: -69.599 flat angles P-C4'-P energy: -49.838 tors. eta vs tors. theta energy: -71.316 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: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -833.902131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.902131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.902131 (E_RNA) where: Base-Base interactions energy: -563.783 where: short stacking energy: -249.855 Base-Backbone interact. energy: -0.111 local terms energy: -270.008384 where: bonds (distance) C4'-P energy: -55.470 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -67.081 flat angles P-C4'-P energy: -21.197 tors. eta vs tors. theta energy: -59.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -524.236970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.236970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.236970 (E_RNA) where: Base-Base interactions energy: -302.966 where: short stacking energy: -164.189 Base-Backbone interact. energy: 1.823 local terms energy: -223.094643 where: bonds (distance) C4'-P energy: -62.212 bonds (distance) P-C4' energy: -52.562 flat angles C4'-P-C4' energy: -51.397 flat angles P-C4'-P energy: -36.043 tors. eta vs tors. theta energy: -20.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -372.033522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.033522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.033522 (E_RNA) where: Base-Base interactions energy: -168.715 where: short stacking energy: -105.387 Base-Backbone interact. energy: 3.402 local terms energy: -206.719867 where: bonds (distance) C4'-P energy: -49.260 bonds (distance) P-C4' energy: -63.561 flat angles C4'-P-C4' energy: -55.003 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: 1.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1267.630545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.630545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.630545 (E_RNA) where: Base-Base interactions energy: -880.121 where: short stacking energy: -394.703 Base-Backbone interact. energy: -0.518 local terms energy: -386.991415 where: bonds (distance) C4'-P energy: -72.764 bonds (distance) P-C4' energy: -68.650 flat angles C4'-P-C4' energy: -78.184 flat angles P-C4'-P energy: -54.047 tors. eta vs tors. theta energy: -113.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1229.438148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.438148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.438148 (E_RNA) where: Base-Base interactions energy: -854.420 where: short stacking energy: -368.729 Base-Backbone interact. energy: 0.514 local terms energy: -375.531620 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -77.770 flat angles C4'-P-C4' energy: -80.125 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -106.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1139.561231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.561231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.561231 (E_RNA) where: Base-Base interactions energy: -804.264 where: short stacking energy: -348.508 Base-Backbone interact. energy: 3.116 local terms energy: -338.413188 where: bonds (distance) C4'-P energy: -68.370 bonds (distance) P-C4' energy: -60.914 flat angles C4'-P-C4' energy: -75.149 flat angles P-C4'-P energy: -50.688 tors. eta vs tors. theta energy: -83.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1097.574651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.574651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.574651 (E_RNA) where: Base-Base interactions energy: -760.460 where: short stacking energy: -317.186 Base-Backbone interact. energy: -0.983 local terms energy: -336.131807 where: bonds (distance) C4'-P energy: -66.450 bonds (distance) P-C4' energy: -66.664 flat angles C4'-P-C4' energy: -75.611 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -77.283 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: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1058.415670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.415670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.415670 (E_RNA) where: Base-Base interactions energy: -735.439 where: short stacking energy: -315.622 Base-Backbone interact. energy: 0.319 local terms energy: -323.296014 where: bonds (distance) C4'-P energy: -53.687 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -55.601 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: 6, replica: 10 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1008.229613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.229613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.229613 (E_RNA) where: Base-Base interactions energy: -683.515 where: short stacking energy: -314.558 Base-Backbone interact. energy: -1.248 local terms energy: -323.465762 where: bonds (distance) C4'-P energy: -62.639 bonds (distance) P-C4' energy: -67.098 flat angles C4'-P-C4' energy: -61.664 flat angles P-C4'-P energy: -44.829 tors. eta vs tors. theta energy: -87.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -916.033187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.033187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.033187 (E_RNA) where: Base-Base interactions energy: -621.609 where: short stacking energy: -269.220 Base-Backbone interact. energy: -0.945 local terms energy: -293.478479 where: bonds (distance) C4'-P energy: -46.229 bonds (distance) P-C4' energy: -61.777 flat angles C4'-P-C4' energy: -69.524 flat angles P-C4'-P energy: -44.419 tors. eta vs tors. theta energy: -71.528 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: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -868.717498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.717498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.717498 (E_RNA) where: Base-Base interactions energy: -588.393 where: short stacking energy: -254.626 Base-Backbone interact. energy: -0.341 local terms energy: -279.983493 where: bonds (distance) C4'-P energy: -69.406 bonds (distance) P-C4' energy: -61.156 flat angles C4'-P-C4' energy: -59.020 flat angles P-C4'-P energy: -39.417 tors. eta vs tors. theta energy: -50.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -530.627552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.627552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.627552 (E_RNA) where: Base-Base interactions energy: -293.747 where: short stacking energy: -154.602 Base-Backbone interact. energy: -1.680 local terms energy: -235.200498 where: bonds (distance) C4'-P energy: -52.143 bonds (distance) P-C4' energy: -75.161 flat angles C4'-P-C4' energy: -52.161 flat angles P-C4'-P energy: -28.695 tors. eta vs tors. theta energy: -27.041 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: 96 Temperature: 1.350000 Total energy: -431.866991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.866991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.866991 (E_RNA) where: Base-Base interactions energy: -230.389 where: short stacking energy: -131.244 Base-Backbone interact. energy: -0.098 local terms energy: -201.380844 where: bonds (distance) C4'-P energy: -61.537 bonds (distance) P-C4' energy: -49.902 flat angles C4'-P-C4' energy: -44.327 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1266.367847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.367847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.367847 (E_RNA) where: Base-Base interactions energy: -892.306 where: short stacking energy: -392.178 Base-Backbone interact. energy: -0.099 local terms energy: -373.962332 where: bonds (distance) C4'-P energy: -66.783 bonds (distance) P-C4' energy: -61.971 flat angles C4'-P-C4' energy: -82.312 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -109.307 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: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1248.515294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.515294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.515294 (E_RNA) where: Base-Base interactions energy: -872.950 where: short stacking energy: -392.255 Base-Backbone interact. energy: -0.835 local terms energy: -374.730635 where: bonds (distance) C4'-P energy: -71.340 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -77.139 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -107.064 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: 7 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1167.313056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.313056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.313056 (E_RNA) where: Base-Base interactions energy: -803.801 where: short stacking energy: -349.061 Base-Backbone interact. energy: 1.468 local terms energy: -364.979730 where: bonds (distance) C4'-P energy: -66.276 bonds (distance) P-C4' energy: -78.523 flat angles C4'-P-C4' energy: -70.489 flat angles P-C4'-P energy: -56.658 tors. eta vs tors. theta energy: -93.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1100.375164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.375164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.375164 (E_RNA) where: Base-Base interactions energy: -779.084 where: short stacking energy: -329.965 Base-Backbone interact. energy: 0.270 local terms energy: -321.560992 where: bonds (distance) C4'-P energy: -64.796 bonds (distance) P-C4' energy: -63.582 flat angles C4'-P-C4' energy: -73.535 flat angles P-C4'-P energy: -34.749 tors. eta vs tors. theta energy: -84.899 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: 8 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1051.207058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.207058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.207058 (E_RNA) where: Base-Base interactions energy: -742.626 where: short stacking energy: -335.113 Base-Backbone interact. energy: 1.453 local terms energy: -310.034494 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -57.273 flat angles C4'-P-C4' energy: -66.040 flat angles P-C4'-P energy: -45.844 tors. eta vs tors. theta energy: -85.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -997.743897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.743897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.743897 (E_RNA) where: Base-Base interactions energy: -688.716 where: short stacking energy: -294.531 Base-Backbone interact. energy: -2.076 local terms energy: -306.951465 where: bonds (distance) C4'-P energy: -66.505 bonds (distance) P-C4' energy: -59.677 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -64.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -900.449831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.449831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.449831 (E_RNA) where: Base-Base interactions energy: -608.212 where: short stacking energy: -256.625 Base-Backbone interact. energy: -1.005 local terms energy: -291.232948 where: bonds (distance) C4'-P energy: -61.387 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -68.528 flat angles P-C4'-P energy: -36.619 tors. eta vs tors. theta energy: -58.580 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: 5 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -902.598107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.598107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.598107 (E_RNA) where: Base-Base interactions energy: -621.188 where: short stacking energy: -256.908 Base-Backbone interact. energy: -0.584 local terms energy: -280.826577 where: bonds (distance) C4'-P energy: -64.271 bonds (distance) P-C4' energy: -59.135 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -29.188 tors. eta vs tors. theta energy: -60.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -547.869061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.869061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.869061 (E_RNA) where: Base-Base interactions energy: -316.833 where: short stacking energy: -165.122 Base-Backbone interact. energy: 1.664 local terms energy: -232.699815 where: bonds (distance) C4'-P energy: -59.303 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -52.757 flat angles P-C4'-P energy: -35.798 tors. eta vs tors. theta energy: -26.471 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: 97 Temperature: 1.350000 Total energy: -448.613378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.613378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.613378 (E_RNA) where: Base-Base interactions energy: -241.113 where: short stacking energy: -133.166 Base-Backbone interact. energy: -1.221 local terms energy: -206.279621 where: bonds (distance) C4'-P energy: -52.041 bonds (distance) P-C4' energy: -53.782 flat angles C4'-P-C4' energy: -46.890 flat angles P-C4'-P energy: -35.025 tors. eta vs tors. theta energy: -18.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1275.931374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.931374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.931374 (E_RNA) where: Base-Base interactions energy: -896.216 where: short stacking energy: -396.071 Base-Backbone interact. energy: -0.895 local terms energy: -378.820312 where: bonds (distance) C4'-P energy: -73.945 bonds (distance) P-C4' energy: -66.927 flat angles C4'-P-C4' energy: -73.720 flat angles P-C4'-P energy: -52.754 tors. eta vs tors. theta energy: -111.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1226.640436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.640436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.640436 (E_RNA) where: Base-Base interactions energy: -862.108 where: short stacking energy: -363.164 Base-Backbone interact. energy: -1.138 local terms energy: -363.394564 where: bonds (distance) C4'-P energy: -66.766 bonds (distance) P-C4' energy: -69.253 flat angles C4'-P-C4' energy: -80.256 flat angles P-C4'-P energy: -48.988 tors. eta vs tors. theta energy: -98.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1159.197776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.197776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.197776 (E_RNA) where: Base-Base interactions energy: -799.475 where: short stacking energy: -339.792 Base-Backbone interact. energy: -1.547 local terms energy: -358.176424 where: bonds (distance) C4'-P energy: -69.628 bonds (distance) P-C4' energy: -68.348 flat angles C4'-P-C4' energy: -81.171 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -91.523 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: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1097.634098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.634098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.634098 (E_RNA) where: Base-Base interactions energy: -768.506 where: short stacking energy: -322.668 Base-Backbone interact. energy: -0.671 local terms energy: -328.457732 where: bonds (distance) C4'-P energy: -69.978 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -68.936 flat angles P-C4'-P energy: -51.923 tors. eta vs tors. theta energy: -72.744 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: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1078.586101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.586101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.586101 (E_RNA) where: Base-Base interactions energy: -756.691 where: short stacking energy: -327.278 Base-Backbone interact. energy: -3.050 local terms energy: -318.844805 where: bonds (distance) C4'-P energy: -51.041 bonds (distance) P-C4' energy: -65.315 flat angles C4'-P-C4' energy: -72.017 flat angles P-C4'-P energy: -41.085 tors. eta vs tors. theta energy: -89.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -997.507353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.507353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.507353 (E_RNA) where: Base-Base interactions energy: -693.547 where: short stacking energy: -255.833 Base-Backbone interact. energy: 2.845 local terms energy: -306.804848 where: bonds (distance) C4'-P energy: -61.827 bonds (distance) P-C4' energy: -67.836 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -51.517 tors. eta vs tors. theta energy: -62.465 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: 3 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -918.286468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.286468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.286468 (E_RNA) where: Base-Base interactions energy: -627.376 where: short stacking energy: -266.181 Base-Backbone interact. energy: -0.445 local terms energy: -290.466064 where: bonds (distance) C4'-P energy: -62.386 bonds (distance) P-C4' energy: -64.643 flat angles C4'-P-C4' energy: -54.195 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -71.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -862.851584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.851584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.851584 (E_RNA) where: Base-Base interactions energy: -593.462 where: short stacking energy: -252.775 Base-Backbone interact. energy: -0.210 local terms energy: -269.179706 where: bonds (distance) C4'-P energy: -50.289 bonds (distance) P-C4' energy: -59.300 flat angles C4'-P-C4' energy: -66.682 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -57.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -529.507073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.507073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.507073 (E_RNA) where: Base-Base interactions energy: -304.278 where: short stacking energy: -185.530 Base-Backbone interact. energy: -0.042 local terms energy: -225.186978 where: bonds (distance) C4'-P energy: -51.034 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -41.937 flat angles P-C4'-P energy: -33.413 tors. eta vs tors. theta energy: -34.496 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: 98 Temperature: 1.350000 Total energy: -378.600109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.600109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.600109 (E_RNA) where: Base-Base interactions energy: -193.828 where: short stacking energy: -113.423 Base-Backbone interact. energy: 0.603 local terms energy: -185.375148 where: bonds (distance) C4'-P energy: -51.770 bonds (distance) P-C4' energy: -61.511 flat angles C4'-P-C4' energy: -42.418 flat angles P-C4'-P energy: -30.878 tors. eta vs tors. theta energy: 1.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1281.172236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.172236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.172236 (E_RNA) where: Base-Base interactions energy: -896.442 where: short stacking energy: -397.570 Base-Backbone interact. energy: 0.696 local terms energy: -385.426196 where: bonds (distance) C4'-P energy: -60.400 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -82.314 flat angles P-C4'-P energy: -54.808 tors. eta vs tors. theta energy: -120.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1241.278731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.278731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.278731 (E_RNA) where: Base-Base interactions energy: -883.867 where: short stacking energy: -375.643 Base-Backbone interact. energy: 0.320 local terms energy: -357.731357 where: bonds (distance) C4'-P energy: -69.843 bonds (distance) P-C4' energy: -61.112 flat angles C4'-P-C4' energy: -73.222 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -100.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1168.637027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.637027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.637027 (E_RNA) where: Base-Base interactions energy: -825.500 where: short stacking energy: -348.190 Base-Backbone interact. energy: -1.003 local terms energy: -342.133984 where: bonds (distance) C4'-P energy: -63.213 bonds (distance) P-C4' energy: -63.706 flat angles C4'-P-C4' energy: -70.425 flat angles P-C4'-P energy: -44.142 tors. eta vs tors. theta energy: -100.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1095.331916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.331916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.331916 (E_RNA) where: Base-Base interactions energy: -760.787 where: short stacking energy: -317.515 Base-Backbone interact. energy: -0.290 local terms energy: -334.254358 where: bonds (distance) C4'-P energy: -60.638 bonds (distance) P-C4' energy: -75.311 flat angles C4'-P-C4' energy: -75.214 flat angles P-C4'-P energy: -41.910 tors. eta vs tors. theta energy: -81.182 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: 6 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1052.715164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.715164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.715164 (E_RNA) where: Base-Base interactions energy: -738.458 where: short stacking energy: -296.297 Base-Backbone interact. energy: 5.532 local terms energy: -319.789199 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -62.768 flat angles C4'-P-C4' energy: -80.707 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -71.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -986.424683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.424683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.424683 (E_RNA) where: Base-Base interactions energy: -687.817 where: short stacking energy: -294.406 Base-Backbone interact. energy: 0.927 local terms energy: -299.534255 where: bonds (distance) C4'-P energy: -57.207 bonds (distance) P-C4' energy: -62.406 flat angles C4'-P-C4' energy: -56.990 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -77.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -882.467136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.467136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.467136 (E_RNA) where: Base-Base interactions energy: -603.722 where: short stacking energy: -262.504 Base-Backbone interact. energy: -0.873 local terms energy: -277.872322 where: bonds (distance) C4'-P energy: -50.382 bonds (distance) P-C4' energy: -57.197 flat angles C4'-P-C4' energy: -73.770 flat angles P-C4'-P energy: -42.060 tors. eta vs tors. theta energy: -54.463 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: 5 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -864.268961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.268961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.268961 (E_RNA) where: Base-Base interactions energy: -613.716 where: short stacking energy: -280.960 Base-Backbone interact. energy: 4.652 local terms energy: -255.204524 where: bonds (distance) C4'-P energy: -47.017 bonds (distance) P-C4' energy: -61.006 flat angles C4'-P-C4' energy: -58.151 flat angles P-C4'-P energy: -30.696 tors. eta vs tors. theta energy: -58.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -615.698253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.698253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.698253 (E_RNA) where: Base-Base interactions energy: -380.785 where: short stacking energy: -184.894 Base-Backbone interact. energy: 0.089 local terms energy: -235.002802 where: bonds (distance) C4'-P energy: -65.584 bonds (distance) P-C4' energy: -48.280 flat angles C4'-P-C4' energy: -55.066 flat angles P-C4'-P energy: -35.709 tors. eta vs tors. theta energy: -30.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -359.475355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.475355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.475355 (E_RNA) where: Base-Base interactions energy: -170.352 where: short stacking energy: -103.969 Base-Backbone interact. energy: -0.532 local terms energy: -188.591072 where: bonds (distance) C4'-P energy: -46.479 bonds (distance) P-C4' energy: -62.840 flat angles C4'-P-C4' energy: -57.380 flat angles P-C4'-P energy: -27.235 tors. eta vs tors. theta energy: 5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1279.125609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.125609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.125609 (E_RNA) where: Base-Base interactions energy: -887.184 where: short stacking energy: -393.751 Base-Backbone interact. energy: -1.978 local terms energy: -389.963765 where: bonds (distance) C4'-P energy: -68.322 bonds (distance) P-C4' energy: -71.858 flat angles C4'-P-C4' energy: -78.914 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -113.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1224.496929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.496929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.496929 (E_RNA) where: Base-Base interactions energy: -859.277 where: short stacking energy: -354.292 Base-Backbone interact. energy: 1.686 local terms energy: -366.905687 where: bonds (distance) C4'-P energy: -69.586 bonds (distance) P-C4' energy: -67.607 flat angles C4'-P-C4' energy: -79.035 flat angles P-C4'-P energy: -51.104 tors. eta vs tors. theta energy: -99.575 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: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1128.491354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.491354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.491354 (E_RNA) where: Base-Base interactions energy: -807.908 where: short stacking energy: -344.090 Base-Backbone interact. energy: -2.130 local terms energy: -318.453383 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -59.116 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: -82.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1130.611781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.611781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.611781 (E_RNA) where: Base-Base interactions energy: -790.388 where: short stacking energy: -353.537 Base-Backbone interact. energy: 0.624 local terms energy: -340.847983 where: bonds (distance) C4'-P energy: -64.057 bonds (distance) P-C4' energy: -59.336 flat angles C4'-P-C4' energy: -81.195 flat angles P-C4'-P energy: -37.143 tors. eta vs tors. theta energy: -99.118 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: 5, replica: 10 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1017.930004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.930004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.930004 (E_RNA) where: Base-Base interactions energy: -689.195 where: short stacking energy: -309.782 Base-Backbone interact. energy: -1.589 local terms energy: -327.145763 where: bonds (distance) C4'-P energy: -63.680 bonds (distance) P-C4' energy: -64.984 flat angles C4'-P-C4' energy: -69.531 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -82.589 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: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1032.714710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.714710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.714710 (E_RNA) where: Base-Base interactions energy: -726.104 where: short stacking energy: -290.767 Base-Backbone interact. energy: -1.097 local terms energy: -305.514075 where: bonds (distance) C4'-P energy: -53.983 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -47.443 tors. eta vs tors. theta energy: -64.875 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: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -872.345590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.345590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.345590 (E_RNA) where: Base-Base interactions energy: -602.777 where: short stacking energy: -270.934 Base-Backbone interact. energy: 0.095 local terms energy: -269.663105 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -50.931 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -35.122 tors. eta vs tors. theta energy: -55.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -899.840588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.840588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.840588 (E_RNA) where: Base-Base interactions energy: -609.468 where: short stacking energy: -267.953 Base-Backbone interact. energy: 2.251 local terms energy: -292.624049 where: bonds (distance) C4'-P energy: -64.598 bonds (distance) P-C4' energy: -58.681 flat angles C4'-P-C4' energy: -62.018 flat angles P-C4'-P energy: -39.898 tors. eta vs tors. theta energy: -67.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -624.107202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.107202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.107202 (E_RNA) where: Base-Base interactions energy: -376.707 where: short stacking energy: -193.606 Base-Backbone interact. energy: 1.203 local terms energy: -248.603330 where: bonds (distance) C4'-P energy: -47.519 bonds (distance) P-C4' energy: -62.494 flat angles C4'-P-C4' energy: -62.514 flat angles P-C4'-P energy: -46.406 tors. eta vs tors. theta energy: -29.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -321.931955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.931955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.931955 (E_RNA) where: Base-Base interactions energy: -138.123 where: short stacking energy: -117.011 Base-Backbone interact. energy: -1.993 local terms energy: -181.816090 where: bonds (distance) C4'-P energy: -52.521 bonds (distance) P-C4' energy: -50.239 flat angles C4'-P-C4' energy: -41.247 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1268.534397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.534397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.534397 (E_RNA) where: Base-Base interactions energy: -869.881 where: short stacking energy: -373.466 Base-Backbone interact. energy: -0.556 local terms energy: -398.097619 where: bonds (distance) C4'-P energy: -78.004 bonds (distance) P-C4' energy: -69.024 flat angles C4'-P-C4' energy: -83.658 flat angles P-C4'-P energy: -59.385 tors. eta vs tors. theta energy: -108.027 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: 9 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1232.180241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.180241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.180241 (E_RNA) where: Base-Base interactions energy: -857.458 where: short stacking energy: -365.370 Base-Backbone interact. energy: -1.321 local terms energy: -373.401548 where: bonds (distance) C4'-P energy: -77.606 bonds (distance) P-C4' energy: -61.875 flat angles C4'-P-C4' energy: -81.313 flat angles P-C4'-P energy: -45.093 tors. eta vs tors. theta energy: -107.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1150.216510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.216510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.216510 (E_RNA) where: Base-Base interactions energy: -803.744 where: short stacking energy: -340.759 Base-Backbone interact. energy: -4.043 local terms energy: -342.429157 where: bonds (distance) C4'-P energy: -69.977 bonds (distance) P-C4' energy: -61.116 flat angles C4'-P-C4' energy: -74.226 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -88.948 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: 7 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1156.606169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.606169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.606169 (E_RNA) where: Base-Base interactions energy: -813.998 where: short stacking energy: -343.245 Base-Backbone interact. energy: -1.007 local terms energy: -341.601539 where: bonds (distance) C4'-P energy: -65.301 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -77.213 flat angles P-C4'-P energy: -45.160 tors. eta vs tors. theta energy: -88.899 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: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1030.458163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.458163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.458163 (E_RNA) where: Base-Base interactions energy: -697.679 where: short stacking energy: -313.399 Base-Backbone interact. energy: -1.425 local terms energy: -331.353708 where: bonds (distance) C4'-P energy: -67.970 bonds (distance) P-C4' energy: -67.810 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -43.550 tors. eta vs tors. theta energy: -74.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1052.995101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.995101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.995101 (E_RNA) where: Base-Base interactions energy: -739.595 where: short stacking energy: -300.965 Base-Backbone interact. energy: 0.932 local terms energy: -314.331523 where: bonds (distance) C4'-P energy: -56.081 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -52.739 tors. eta vs tors. theta energy: -68.862 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: 7, replica: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -897.296025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.296025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.296025 (E_RNA) where: Base-Base interactions energy: -611.817 where: short stacking energy: -254.716 Base-Backbone interact. energy: 1.397 local terms energy: -286.875245 where: bonds (distance) C4'-P energy: -59.640 bonds (distance) P-C4' energy: -55.861 flat angles C4'-P-C4' energy: -78.162 flat angles P-C4'-P energy: -35.259 tors. eta vs tors. theta energy: -57.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -942.098349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.098349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.098349 (E_RNA) where: Base-Base interactions energy: -656.530 where: short stacking energy: -281.500 Base-Backbone interact. energy: -1.948 local terms energy: -283.619899 where: bonds (distance) C4'-P energy: -50.179 bonds (distance) P-C4' energy: -48.086 flat angles C4'-P-C4' energy: -71.798 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -75.231 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: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -597.421154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.421154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.421154 (E_RNA) where: Base-Base interactions energy: -373.529 where: short stacking energy: -167.026 Base-Backbone interact. energy: 1.332 local terms energy: -225.224519 where: bonds (distance) C4'-P energy: -65.535 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -44.590 flat angles P-C4'-P energy: -25.665 tors. eta vs tors. theta energy: -29.802 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: 1 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -355.850505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.850505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.850505 (E_RNA) where: Base-Base interactions energy: -148.284 where: short stacking energy: -126.725 Base-Backbone interact. energy: 3.293 local terms energy: -210.858998 where: bonds (distance) C4'-P energy: -58.961 bonds (distance) P-C4' energy: -58.657 flat angles C4'-P-C4' energy: -52.434 flat angles P-C4'-P energy: -30.915 tors. eta vs tors. theta energy: -9.893 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: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1237.457989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.457989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.457989 (E_RNA) where: Base-Base interactions energy: -871.102 where: short stacking energy: -361.054 Base-Backbone interact. energy: -1.036 local terms energy: -365.319455 where: bonds (distance) C4'-P energy: -63.658 bonds (distance) P-C4' energy: -67.911 flat angles C4'-P-C4' energy: -75.124 flat angles P-C4'-P energy: -60.619 tors. eta vs tors. theta energy: -98.007 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: 102 Temperature: 0.950000 Total energy: -1275.559767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.559767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.559767 (E_RNA) where: Base-Base interactions energy: -890.819 where: short stacking energy: -389.760 Base-Backbone interact. energy: -0.465 local terms energy: -384.276172 where: bonds (distance) C4'-P energy: -54.193 bonds (distance) P-C4' energy: -69.408 flat angles C4'-P-C4' energy: -84.941 flat angles P-C4'-P energy: -64.443 tors. eta vs tors. theta energy: -111.290 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: 3, replica: 7 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1199.107248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.107248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.107248 (E_RNA) where: Base-Base interactions energy: -833.412 where: short stacking energy: -366.086 Base-Backbone interact. energy: -0.618 local terms energy: -365.077506 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -68.946 flat angles C4'-P-C4' energy: -73.986 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -104.268 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: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1130.634633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.634633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.634633 (E_RNA) where: Base-Base interactions energy: -794.250 where: short stacking energy: -339.741 Base-Backbone interact. energy: -2.410 local terms energy: -333.974615 where: bonds (distance) C4'-P energy: -59.575 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -77.401 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -85.093 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: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1087.748669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.748669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.748669 (E_RNA) where: Base-Base interactions energy: -782.200 where: short stacking energy: -313.943 Base-Backbone interact. energy: -0.285 local terms energy: -305.263513 where: bonds (distance) C4'-P energy: -55.777 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -66.394 flat angles P-C4'-P energy: -43.000 tors. eta vs tors. theta energy: -78.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -949.463012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.463012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.463012 (E_RNA) where: Base-Base interactions energy: -648.905 where: short stacking energy: -283.960 Base-Backbone interact. energy: -0.359 local terms energy: -300.199265 where: bonds (distance) C4'-P energy: -62.686 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -71.787 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -59.166 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: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -965.084326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.084326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.084326 (E_RNA) where: Base-Base interactions energy: -656.356 where: short stacking energy: -282.834 Base-Backbone interact. energy: -1.604 local terms energy: -307.123915 where: bonds (distance) C4'-P energy: -51.218 bonds (distance) P-C4' energy: -63.746 flat angles C4'-P-C4' energy: -69.865 flat angles P-C4'-P energy: -46.948 tors. eta vs tors. theta energy: -75.348 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: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -867.758099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.758099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.758099 (E_RNA) where: Base-Base interactions energy: -586.712 where: short stacking energy: -263.166 Base-Backbone interact. energy: 1.627 local terms energy: -282.672891 where: bonds (distance) C4'-P energy: -71.796 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -50.672 flat angles P-C4'-P energy: -40.441 tors. eta vs tors. theta energy: -59.853 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: 102 Temperature: 1.300000 Total energy: -507.400584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.400584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.400584 (E_RNA) where: Base-Base interactions energy: -288.167 where: short stacking energy: -154.961 Base-Backbone interact. energy: -1.472 local terms energy: -217.761661 where: bonds (distance) C4'-P energy: -45.246 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -56.582 flat angles P-C4'-P energy: -18.153 tors. eta vs tors. theta energy: -30.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -331.521116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.521116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.521116 (E_RNA) where: Base-Base interactions energy: -143.964 where: short stacking energy: -84.631 Base-Backbone interact. energy: -0.513 local terms energy: -187.044149 where: bonds (distance) C4'-P energy: -56.358 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -47.724 flat angles P-C4'-P energy: -34.077 tors. eta vs tors. theta energy: 12.383 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: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1268.847671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.847671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.847671 (E_RNA) where: Base-Base interactions energy: -900.068 where: short stacking energy: -383.376 Base-Backbone interact. energy: -2.468 local terms energy: -366.312022 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -79.437 flat angles C4'-P-C4' energy: -69.788 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -102.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1260.830510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.830510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.830510 (E_RNA) where: Base-Base interactions energy: -870.348 where: short stacking energy: -390.792 Base-Backbone interact. energy: -0.994 local terms energy: -389.488405 where: bonds (distance) C4'-P energy: -73.604 bonds (distance) P-C4' energy: -67.281 flat angles C4'-P-C4' energy: -77.930 flat angles P-C4'-P energy: -56.466 tors. eta vs tors. theta energy: -114.206 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: 7 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1177.103237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.103237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.103237 (E_RNA) where: Base-Base interactions energy: -835.930 where: short stacking energy: -348.168 Base-Backbone interact. energy: -1.941 local terms energy: -339.232774 where: bonds (distance) C4'-P energy: -66.062 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -79.545 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: -85.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1119.208580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.208580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.208580 (E_RNA) where: Base-Base interactions energy: -824.681 where: short stacking energy: -330.025 Base-Backbone interact. energy: 5.912 local terms energy: -300.439868 where: bonds (distance) C4'-P energy: -58.643 bonds (distance) P-C4' energy: -56.491 flat angles C4'-P-C4' energy: -72.965 flat angles P-C4'-P energy: -38.875 tors. eta vs tors. theta energy: -73.465 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: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1073.615992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.615992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.615992 (E_RNA) where: Base-Base interactions energy: -741.839 where: short stacking energy: -293.281 Base-Backbone interact. energy: 0.038 local terms energy: -331.814398 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -68.805 flat angles C4'-P-C4' energy: -71.410 flat angles P-C4'-P energy: -46.193 tors. eta vs tors. theta energy: -89.159 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: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -984.876938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.876938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.876938 (E_RNA) where: Base-Base interactions energy: -661.004 where: short stacking energy: -286.542 Base-Backbone interact. energy: -0.061 local terms energy: -323.811134 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -72.899 flat angles C4'-P-C4' energy: -72.305 flat angles P-C4'-P energy: -52.099 tors. eta vs tors. theta energy: -71.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -963.686442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.686442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.686442 (E_RNA) where: Base-Base interactions energy: -652.708 where: short stacking energy: -286.436 Base-Backbone interact. energy: 1.372 local terms energy: -312.350125 where: bonds (distance) C4'-P energy: -50.317 bonds (distance) P-C4' energy: -65.944 flat angles C4'-P-C4' energy: -68.410 flat angles P-C4'-P energy: -44.808 tors. eta vs tors. theta energy: -82.872 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: 103 Temperature: 1.250000 Total energy: -911.155959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.155959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.155959 (E_RNA) where: Base-Base interactions energy: -640.589 where: short stacking energy: -271.997 Base-Backbone interact. energy: 2.155 local terms energy: -272.722744 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -48.300 flat angles C4'-P-C4' energy: -61.938 flat angles P-C4'-P energy: -38.774 tors. eta vs tors. theta energy: -67.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -551.166941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.166941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.166941 (E_RNA) where: Base-Base interactions energy: -313.990 where: short stacking energy: -179.807 Base-Backbone interact. energy: -0.980 local terms energy: -236.197645 where: bonds (distance) C4'-P energy: -44.438 bonds (distance) P-C4' energy: -50.858 flat angles C4'-P-C4' energy: -72.360 flat angles P-C4'-P energy: -43.869 tors. eta vs tors. theta energy: -24.673 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: 1 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -349.449619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.449619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.449619 (E_RNA) where: Base-Base interactions energy: -145.528 where: short stacking energy: -86.785 Base-Backbone interact. energy: -3.687 local terms energy: -200.235014 where: bonds (distance) C4'-P energy: -56.149 bonds (distance) P-C4' energy: -51.857 flat angles C4'-P-C4' energy: -66.939 flat angles P-C4'-P energy: -33.735 tors. eta vs tors. theta energy: 8.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1260.755781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.755781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.755781 (E_RNA) where: Base-Base interactions energy: -888.321 where: short stacking energy: -381.128 Base-Backbone interact. energy: -0.752 local terms energy: -371.683666 where: bonds (distance) C4'-P energy: -71.088 bonds (distance) P-C4' energy: -75.852 flat angles C4'-P-C4' energy: -72.771 flat angles P-C4'-P energy: -47.613 tors. eta vs tors. theta energy: -104.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1244.711480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.711480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.711480 (E_RNA) where: Base-Base interactions energy: -879.765 where: short stacking energy: -369.103 Base-Backbone interact. energy: -1.732 local terms energy: -363.215108 where: bonds (distance) C4'-P energy: -66.877 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -72.882 flat angles P-C4'-P energy: -53.859 tors. eta vs tors. theta energy: -108.549 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: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1145.184720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.184720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.184720 (E_RNA) where: Base-Base interactions energy: -820.971 where: short stacking energy: -315.480 Base-Backbone interact. energy: 6.897 local terms energy: -331.110416 where: bonds (distance) C4'-P energy: -65.615 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -79.481 flat angles P-C4'-P energy: -46.961 tors. eta vs tors. theta energy: -73.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1150.681064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.681064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.681064 (E_RNA) where: Base-Base interactions energy: -809.339 where: short stacking energy: -333.537 Base-Backbone interact. energy: -1.651 local terms energy: -339.691170 where: bonds (distance) C4'-P energy: -55.265 bonds (distance) P-C4' energy: -65.931 flat angles C4'-P-C4' energy: -70.178 flat angles P-C4'-P energy: -58.173 tors. eta vs tors. theta energy: -90.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1079.312279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.312279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.312279 (E_RNA) where: Base-Base interactions energy: -759.617 where: short stacking energy: -329.048 Base-Backbone interact. energy: -1.474 local terms energy: -318.220731 where: bonds (distance) C4'-P energy: -55.122 bonds (distance) P-C4' energy: -55.027 flat angles C4'-P-C4' energy: -70.678 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -89.857 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: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -967.058617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.058617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.058617 (E_RNA) where: Base-Base interactions energy: -665.722 where: short stacking energy: -292.303 Base-Backbone interact. energy: -2.361 local terms energy: -298.975797 where: bonds (distance) C4'-P energy: -58.138 bonds (distance) P-C4' energy: -67.463 flat angles C4'-P-C4' energy: -67.960 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -64.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -961.097294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.097294 (E_RNA) where: Base-Base interactions energy: -657.951 where: short stacking energy: -298.328 Base-Backbone interact. energy: -1.842 local terms energy: -301.303898 where: bonds (distance) C4'-P energy: -67.261 bonds (distance) P-C4' energy: -42.463 flat angles C4'-P-C4' energy: -70.767 flat angles P-C4'-P energy: -40.108 tors. eta vs tors. theta energy: -80.706 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: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -871.853640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.853640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.853640 (E_RNA) where: Base-Base interactions energy: -610.016 where: short stacking energy: -257.216 Base-Backbone interact. energy: -0.827 local terms energy: -261.010386 where: bonds (distance) C4'-P energy: -48.139 bonds (distance) P-C4' energy: -61.151 flat angles C4'-P-C4' energy: -66.092 flat angles P-C4'-P energy: -38.590 tors. eta vs tors. theta energy: -47.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -563.936970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.936970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.936970 (E_RNA) where: Base-Base interactions energy: -356.362 where: short stacking energy: -165.186 Base-Backbone interact. energy: 1.290 local terms energy: -208.864993 where: bonds (distance) C4'-P energy: -58.450 bonds (distance) P-C4' energy: -45.988 flat angles C4'-P-C4' energy: -47.537 flat angles P-C4'-P energy: -38.482 tors. eta vs tors. theta energy: -18.407 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: 10, replica: 1 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -396.160354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.160354 (E_RNA) where: Base-Base interactions energy: -220.014 where: short stacking energy: -115.860 Base-Backbone interact. energy: -1.018 local terms energy: -175.128235 where: bonds (distance) C4'-P energy: -40.619 bonds (distance) P-C4' energy: -45.993 flat angles C4'-P-C4' energy: -58.634 flat angles P-C4'-P energy: -31.350 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: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1273.220893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.220893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.220893 (E_RNA) where: Base-Base interactions energy: -900.247 where: short stacking energy: -378.638 Base-Backbone interact. energy: -1.613 local terms energy: -371.361276 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -71.815 flat angles C4'-P-C4' energy: -86.822 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -95.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1255.397792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.397792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.397792 (E_RNA) where: Base-Base interactions energy: -884.611 where: short stacking energy: -376.720 Base-Backbone interact. energy: -0.735 local terms energy: -370.052040 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -66.198 flat angles C4'-P-C4' energy: -76.721 flat angles P-C4'-P energy: -59.716 tors. eta vs tors. theta energy: -106.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1154.849228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.849228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.849228 (E_RNA) where: Base-Base interactions energy: -812.030 where: short stacking energy: -312.037 Base-Backbone interact. energy: -1.702 local terms energy: -341.117812 where: bonds (distance) C4'-P energy: -64.038 bonds (distance) P-C4' energy: -79.297 flat angles C4'-P-C4' energy: -71.160 flat angles P-C4'-P energy: -50.955 tors. eta vs tors. theta energy: -75.668 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: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1177.386598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.386598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.386598 (E_RNA) where: Base-Base interactions energy: -832.258 where: short stacking energy: -335.379 Base-Backbone interact. energy: -0.051 local terms energy: -345.077820 where: bonds (distance) C4'-P energy: -70.600 bonds (distance) P-C4' energy: -63.307 flat angles C4'-P-C4' energy: -75.255 flat angles P-C4'-P energy: -49.436 tors. eta vs tors. theta energy: -86.481 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: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1128.998633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.998633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.998633 (E_RNA) where: Base-Base interactions energy: -760.839 where: short stacking energy: -326.526 Base-Backbone interact. energy: -0.616 local terms energy: -367.542857 where: bonds (distance) C4'-P energy: -79.019 bonds (distance) P-C4' energy: -70.752 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -59.747 tors. eta vs tors. theta energy: -84.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1010.575236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.575236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.575236 (E_RNA) where: Base-Base interactions energy: -709.707 where: short stacking energy: -293.801 Base-Backbone interact. energy: 0.991 local terms energy: -301.858971 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -62.115 flat angles P-C4'-P energy: -49.324 tors. eta vs tors. theta energy: -70.846 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: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -985.721398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.721398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.721398 (E_RNA) where: Base-Base interactions energy: -674.774 where: short stacking energy: -283.363 Base-Backbone interact. energy: -1.562 local terms energy: -309.384750 where: bonds (distance) C4'-P energy: -61.949 bonds (distance) P-C4' energy: -66.336 flat angles C4'-P-C4' energy: -65.827 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -76.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -893.923753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.923753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.923753 (E_RNA) where: Base-Base interactions energy: -615.316 where: short stacking energy: -258.148 Base-Backbone interact. energy: -0.922 local terms energy: -277.685893 where: bonds (distance) C4'-P energy: -55.802 bonds (distance) P-C4' energy: -53.684 flat angles C4'-P-C4' energy: -57.422 flat angles P-C4'-P energy: -48.607 tors. eta vs tors. theta energy: -62.170 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: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -611.854409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.854409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.854409 (E_RNA) where: Base-Base interactions energy: -381.078 where: short stacking energy: -182.632 Base-Backbone interact. energy: -0.898 local terms energy: -229.878354 where: bonds (distance) C4'-P energy: -69.778 bonds (distance) P-C4' energy: -61.805 flat angles C4'-P-C4' energy: -50.733 flat angles P-C4'-P energy: -28.130 tors. eta vs tors. theta energy: -19.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -373.762226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.762226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.762226 (E_RNA) where: Base-Base interactions energy: -182.489 where: short stacking energy: -107.182 Base-Backbone interact. energy: 4.313 local terms energy: -195.585951 where: bonds (distance) C4'-P energy: -41.496 bonds (distance) P-C4' energy: -58.989 flat angles C4'-P-C4' energy: -49.015 flat angles P-C4'-P energy: -32.337 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1265.838251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.838251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.838251 (E_RNA) where: Base-Base interactions energy: -907.821 where: short stacking energy: -382.459 Base-Backbone interact. energy: 0.392 local terms energy: -358.409592 where: bonds (distance) C4'-P energy: -67.027 bonds (distance) P-C4' energy: -62.332 flat angles C4'-P-C4' energy: -83.426 flat angles P-C4'-P energy: -47.215 tors. eta vs tors. theta energy: -98.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1241.200106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.200106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.200106 (E_RNA) where: Base-Base interactions energy: -875.550 where: short stacking energy: -359.604 Base-Backbone interact. energy: 0.297 local terms energy: -365.947427 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -63.614 flat angles C4'-P-C4' energy: -80.968 flat angles P-C4'-P energy: -59.657 tors. eta vs tors. theta energy: -96.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1191.063744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.063744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.063744 (E_RNA) where: Base-Base interactions energy: -835.732 where: short stacking energy: -337.810 Base-Backbone interact. energy: -0.516 local terms energy: -354.815435 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -80.181 flat angles P-C4'-P energy: -51.016 tors. eta vs tors. theta energy: -87.445 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: 106 Temperature: 1.050000 Total energy: -1127.800906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.800906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.800906 (E_RNA) where: Base-Base interactions energy: -802.066 where: short stacking energy: -309.679 Base-Backbone interact. energy: -1.307 local terms energy: -324.427811 where: bonds (distance) C4'-P energy: -56.772 bonds (distance) P-C4' energy: -75.514 flat angles C4'-P-C4' energy: -77.509 flat angles P-C4'-P energy: -42.575 tors. eta vs tors. theta energy: -72.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1080.827543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.827543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.827543 (E_RNA) where: Base-Base interactions energy: -764.772 where: short stacking energy: -328.571 Base-Backbone interact. energy: 3.305 local terms energy: -319.360149 where: bonds (distance) C4'-P energy: -65.074 bonds (distance) P-C4' energy: -55.677 flat angles C4'-P-C4' energy: -69.476 flat angles P-C4'-P energy: -45.383 tors. eta vs tors. theta energy: -83.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1009.742727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.742727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.742727 (E_RNA) where: Base-Base interactions energy: -690.019 where: short stacking energy: -295.000 Base-Backbone interact. energy: -0.065 local terms energy: -319.658722 where: bonds (distance) C4'-P energy: -60.491 bonds (distance) P-C4' energy: -67.650 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -47.433 tors. eta vs tors. theta energy: -75.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -962.317572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.317572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.317572 (E_RNA) where: Base-Base interactions energy: -671.221 where: short stacking energy: -297.829 Base-Backbone interact. energy: -0.766 local terms energy: -290.331303 where: bonds (distance) C4'-P energy: -50.456 bonds (distance) P-C4' energy: -60.747 flat angles C4'-P-C4' energy: -67.094 flat angles P-C4'-P energy: -34.329 tors. eta vs tors. theta energy: -77.705 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: 106 Temperature: 1.250000 Total energy: -847.201045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.201045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.201045 (E_RNA) where: Base-Base interactions energy: -589.702 where: short stacking energy: -244.144 Base-Backbone interact. energy: 0.690 local terms energy: -258.189404 where: bonds (distance) C4'-P energy: -54.892 bonds (distance) P-C4' energy: -57.160 flat angles C4'-P-C4' energy: -60.795 flat angles P-C4'-P energy: -38.083 tors. eta vs tors. theta energy: -47.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -624.693500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.693500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.693500 (E_RNA) where: Base-Base interactions energy: -373.787 where: short stacking energy: -155.535 Base-Backbone interact. energy: -0.425 local terms energy: -250.481595 where: bonds (distance) C4'-P energy: -64.581 bonds (distance) P-C4' energy: -62.600 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -49.358 tors. eta vs tors. theta energy: -14.988 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: 1 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -371.980191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.980191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.980191 (E_RNA) where: Base-Base interactions energy: -175.561 where: short stacking energy: -117.823 Base-Backbone interact. energy: 1.419 local terms energy: -197.838697 where: bonds (distance) C4'-P energy: -44.486 bonds (distance) P-C4' energy: -66.790 flat angles C4'-P-C4' energy: -49.064 flat angles P-C4'-P energy: -28.388 tors. eta vs tors. theta energy: -9.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1276.301175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.301175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.301175 (E_RNA) where: Base-Base interactions energy: -890.613 where: short stacking energy: -370.107 Base-Backbone interact. energy: 0.330 local terms energy: -386.018483 where: bonds (distance) C4'-P energy: -79.252 bonds (distance) P-C4' energy: -74.781 flat angles C4'-P-C4' energy: -76.737 flat angles P-C4'-P energy: -57.507 tors. eta vs tors. theta energy: -97.741 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: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1239.461501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.461501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.461501 (E_RNA) where: Base-Base interactions energy: -867.739 where: short stacking energy: -366.673 Base-Backbone interact. energy: -0.705 local terms energy: -371.018209 where: bonds (distance) C4'-P energy: -62.464 bonds (distance) P-C4' energy: -72.146 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -101.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1186.305988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.305988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.305988 (E_RNA) where: Base-Base interactions energy: -841.590 where: short stacking energy: -350.029 Base-Backbone interact. energy: 0.919 local terms energy: -345.635213 where: bonds (distance) C4'-P energy: -72.399 bonds (distance) P-C4' energy: -58.835 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -92.712 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: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1143.640806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.640806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.640806 (E_RNA) where: Base-Base interactions energy: -809.107 where: short stacking energy: -337.700 Base-Backbone interact. energy: -0.501 local terms energy: -334.032857 where: bonds (distance) C4'-P energy: -65.964 bonds (distance) P-C4' energy: -63.257 flat angles C4'-P-C4' energy: -70.503 flat angles P-C4'-P energy: -46.382 tors. eta vs tors. theta energy: -87.927 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: 107 Temperature: 1.100000 Total energy: -1081.642353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.642353 (E_RNA) where: Base-Base interactions energy: -792.227 where: short stacking energy: -317.855 Base-Backbone interact. energy: 6.128 local terms energy: -295.543832 where: bonds (distance) C4'-P energy: -59.280 bonds (distance) P-C4' energy: -65.511 flat angles C4'-P-C4' energy: -59.872 flat angles P-C4'-P energy: -40.344 tors. eta vs tors. theta energy: -70.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1013.507652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.507652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.507652 (E_RNA) where: Base-Base interactions energy: -700.451 where: short stacking energy: -288.601 Base-Backbone interact. energy: 1.677 local terms energy: -314.734453 where: bonds (distance) C4'-P energy: -68.066 bonds (distance) P-C4' energy: -67.393 flat angles C4'-P-C4' energy: -61.724 flat angles P-C4'-P energy: -45.227 tors. eta vs tors. theta energy: -72.325 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: 107 Temperature: 1.200000 Total energy: -939.829683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.829683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.829683 (E_RNA) where: Base-Base interactions energy: -646.839 where: short stacking energy: -304.751 Base-Backbone interact. energy: 4.511 local terms energy: -297.501670 where: bonds (distance) C4'-P energy: -49.094 bonds (distance) P-C4' energy: -61.724 flat angles C4'-P-C4' energy: -67.227 flat angles P-C4'-P energy: -46.201 tors. eta vs tors. theta energy: -73.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -883.423081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.423081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.423081 (E_RNA) where: Base-Base interactions energy: -613.363 where: short stacking energy: -240.519 Base-Backbone interact. energy: -0.371 local terms energy: -269.689528 where: bonds (distance) C4'-P energy: -55.715 bonds (distance) P-C4' energy: -64.441 flat angles C4'-P-C4' energy: -56.043 flat angles P-C4'-P energy: -31.433 tors. eta vs tors. theta energy: -62.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -629.219943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.219943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.219943 (E_RNA) where: Base-Base interactions energy: -385.649 where: short stacking energy: -203.278 Base-Backbone interact. energy: -0.796 local terms energy: -242.774944 where: bonds (distance) C4'-P energy: -57.332 bonds (distance) P-C4' energy: -63.246 flat angles C4'-P-C4' energy: -54.782 flat angles P-C4'-P energy: -27.601 tors. eta vs tors. theta energy: -39.814 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: 107 Temperature: 1.350000 Total energy: -377.944310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.944310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.944310 (E_RNA) where: Base-Base interactions energy: -189.223 where: short stacking energy: -113.429 Base-Backbone interact. energy: 1.000 local terms energy: -189.720913 where: bonds (distance) C4'-P energy: -61.332 bonds (distance) P-C4' energy: -54.405 flat angles C4'-P-C4' energy: -52.195 flat angles P-C4'-P energy: -30.347 tors. eta vs tors. theta energy: 8.558 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: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1280.883575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.883575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.883575 (E_RNA) where: Base-Base interactions energy: -893.889 where: short stacking energy: -370.975 Base-Backbone interact. energy: -1.139 local terms energy: -385.855941 where: bonds (distance) C4'-P energy: -71.250 bonds (distance) P-C4' energy: -77.006 flat angles C4'-P-C4' energy: -83.785 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -96.967 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: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1247.621852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.621852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.621852 (E_RNA) where: Base-Base interactions energy: -880.262 where: short stacking energy: -356.753 Base-Backbone interact. energy: -2.509 local terms energy: -364.850869 where: bonds (distance) C4'-P energy: -72.548 bonds (distance) P-C4' energy: -66.136 flat angles C4'-P-C4' energy: -84.235 flat angles P-C4'-P energy: -42.342 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: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1234.548455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.548455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.548455 (E_RNA) where: Base-Base interactions energy: -888.664 where: short stacking energy: -368.478 Base-Backbone interact. energy: -0.410 local terms energy: -345.475103 where: bonds (distance) C4'-P energy: -64.365 bonds (distance) P-C4' energy: -65.202 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -54.998 tors. eta vs tors. theta energy: -89.459 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: 108 Temperature: 1.050000 Total energy: -1130.823200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.823200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.823200 (E_RNA) where: Base-Base interactions energy: -799.150 where: short stacking energy: -338.944 Base-Backbone interact. energy: -1.285 local terms energy: -330.388819 where: bonds (distance) C4'-P energy: -67.562 bonds (distance) P-C4' energy: -54.448 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -50.065 tors. eta vs tors. theta energy: -88.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1098.045247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.045247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.045247 (E_RNA) where: Base-Base interactions energy: -785.267 where: short stacking energy: -329.305 Base-Backbone interact. energy: -1.850 local terms energy: -310.928212 where: bonds (distance) C4'-P energy: -56.600 bonds (distance) P-C4' energy: -58.425 flat angles C4'-P-C4' energy: -74.090 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: -78.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -980.031610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.031610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.031610 (E_RNA) where: Base-Base interactions energy: -674.417 where: short stacking energy: -306.728 Base-Backbone interact. energy: -0.910 local terms energy: -304.704799 where: bonds (distance) C4'-P energy: -65.421 bonds (distance) P-C4' energy: -63.939 flat angles C4'-P-C4' energy: -63.761 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -70.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -944.042417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.042417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.042417 (E_RNA) where: Base-Base interactions energy: -658.659 where: short stacking energy: -297.974 Base-Backbone interact. energy: -1.446 local terms energy: -283.937442 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -62.222 flat angles C4'-P-C4' energy: -60.015 flat angles P-C4'-P energy: -32.672 tors. eta vs tors. theta energy: -73.522 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: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -903.918517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.918517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.918517 (E_RNA) where: Base-Base interactions energy: -611.635 where: short stacking energy: -260.364 Base-Backbone interact. energy: 1.548 local terms energy: -293.830947 where: bonds (distance) C4'-P energy: -57.366 bonds (distance) P-C4' energy: -63.300 flat angles C4'-P-C4' energy: -66.965 flat angles P-C4'-P energy: -41.590 tors. eta vs tors. theta energy: -64.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -506.523184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.523184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.523184 (E_RNA) where: Base-Base interactions energy: -290.060 where: short stacking energy: -151.761 Base-Backbone interact. energy: 2.183 local terms energy: -218.645433 where: bonds (distance) C4'-P energy: -66.903 bonds (distance) P-C4' energy: -50.291 flat angles C4'-P-C4' energy: -60.330 flat angles P-C4'-P energy: -24.868 tors. eta vs tors. theta energy: -16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -407.928349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.928349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.928349 (E_RNA) where: Base-Base interactions energy: -198.747 where: short stacking energy: -119.604 Base-Backbone interact. energy: -2.210 local terms energy: -206.971943 where: bonds (distance) C4'-P energy: -50.104 bonds (distance) P-C4' energy: -60.645 flat angles C4'-P-C4' energy: -53.307 flat angles P-C4'-P energy: -35.652 tors. eta vs tors. theta energy: -7.264 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: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1260.716348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.716348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.716348 (E_RNA) where: Base-Base interactions energy: -863.363 where: short stacking energy: -368.144 Base-Backbone interact. energy: -0.336 local terms energy: -397.017602 where: bonds (distance) C4'-P energy: -78.437 bonds (distance) P-C4' energy: -70.457 flat angles C4'-P-C4' energy: -84.777 flat angles P-C4'-P energy: -59.006 tors. eta vs tors. theta energy: -104.341 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: 109 Temperature: 0.950000 Total energy: -1234.016141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.016141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.016141 (E_RNA) where: Base-Base interactions energy: -878.359 where: short stacking energy: -369.028 Base-Backbone interact. energy: 0.324 local terms energy: -355.981887 where: bonds (distance) C4'-P energy: -72.842 bonds (distance) P-C4' energy: -59.933 flat angles C4'-P-C4' energy: -76.184 flat angles P-C4'-P energy: -42.643 tors. eta vs tors. theta energy: -104.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1215.554205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.554205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.554205 (E_RNA) where: Base-Base interactions energy: -871.364 where: short stacking energy: -362.155 Base-Backbone interact. energy: -1.467 local terms energy: -342.722858 where: bonds (distance) C4'-P energy: -58.299 bonds (distance) P-C4' energy: -63.047 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -89.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1074.540458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.540458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.540458 (E_RNA) where: Base-Base interactions energy: -758.318 where: short stacking energy: -314.028 Base-Backbone interact. energy: 0.715 local terms energy: -316.937207 where: bonds (distance) C4'-P energy: -54.470 bonds (distance) P-C4' energy: -57.330 flat angles C4'-P-C4' energy: -78.321 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -75.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1103.034432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.034432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.034432 (E_RNA) where: Base-Base interactions energy: -772.293 where: short stacking energy: -314.224 Base-Backbone interact. energy: 1.783 local terms energy: -332.524881 where: bonds (distance) C4'-P energy: -73.487 bonds (distance) P-C4' energy: -54.326 flat angles C4'-P-C4' energy: -79.759 flat angles P-C4'-P energy: -45.309 tors. eta vs tors. theta energy: -79.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -964.035055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.035055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.035055 (E_RNA) where: Base-Base interactions energy: -658.209 where: short stacking energy: -274.281 Base-Backbone interact. energy: -3.202 local terms energy: -302.623474 where: bonds (distance) C4'-P energy: -60.619 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -67.444 flat angles P-C4'-P energy: -41.517 tors. eta vs tors. theta energy: -66.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -904.104163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.104163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.104163 (E_RNA) where: Base-Base interactions energy: -618.097 where: short stacking energy: -271.451 Base-Backbone interact. energy: -1.363 local terms energy: -284.643988 where: bonds (distance) C4'-P energy: -64.487 bonds (distance) P-C4' energy: -53.660 flat angles C4'-P-C4' energy: -68.001 flat angles P-C4'-P energy: -28.884 tors. eta vs tors. theta energy: -69.613 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: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -944.581249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.581249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.581249 (E_RNA) where: Base-Base interactions energy: -634.374 where: short stacking energy: -271.237 Base-Backbone interact. energy: -2.241 local terms energy: -307.966097 where: bonds (distance) C4'-P energy: -62.713 bonds (distance) P-C4' energy: -63.891 flat angles C4'-P-C4' energy: -69.508 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -69.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -535.949099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.949099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.949099 (E_RNA) where: Base-Base interactions energy: -301.053 where: short stacking energy: -149.046 Base-Backbone interact. energy: 0.109 local terms energy: -235.005146 where: bonds (distance) C4'-P energy: -66.904 bonds (distance) P-C4' energy: -43.667 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -41.441 tors. eta vs tors. theta energy: -19.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -387.278024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.278024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.278024 (E_RNA) where: Base-Base interactions energy: -180.060 where: short stacking energy: -124.428 Base-Backbone interact. energy: -0.742 local terms energy: -206.476416 where: bonds (distance) C4'-P energy: -66.836 bonds (distance) P-C4' energy: -49.800 flat angles C4'-P-C4' energy: -53.606 flat angles P-C4'-P energy: -24.649 tors. eta vs tors. theta energy: -11.585 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: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1270.571567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.571567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.571567 (E_RNA) where: Base-Base interactions energy: -892.827 where: short stacking energy: -386.325 Base-Backbone interact. energy: 1.915 local terms energy: -379.658959 where: bonds (distance) C4'-P energy: -72.780 bonds (distance) P-C4' energy: -67.647 flat angles C4'-P-C4' energy: -79.316 flat angles P-C4'-P energy: -57.524 tors. eta vs tors. theta energy: -102.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1224.285313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.285313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.285313 (E_RNA) where: Base-Base interactions energy: -851.594 where: short stacking energy: -360.283 Base-Backbone interact. energy: -1.212 local terms energy: -371.479195 where: bonds (distance) C4'-P energy: -65.436 bonds (distance) P-C4' energy: -66.578 flat angles C4'-P-C4' energy: -78.395 flat angles P-C4'-P energy: -57.897 tors. eta vs tors. theta energy: -103.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1198.355184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.355184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.355184 (E_RNA) where: Base-Base interactions energy: -857.644 where: short stacking energy: -353.861 Base-Backbone interact. energy: -0.912 local terms energy: -339.799407 where: bonds (distance) C4'-P energy: -45.774 bonds (distance) P-C4' energy: -74.787 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -54.349 tors. eta vs tors. theta energy: -90.907 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: 110 Temperature: 1.050000 Total energy: -1072.870086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.870086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.870086 (E_RNA) where: Base-Base interactions energy: -746.541 where: short stacking energy: -314.155 Base-Backbone interact. energy: 2.725 local terms energy: -329.053918 where: bonds (distance) C4'-P energy: -64.543 bonds (distance) P-C4' energy: -63.322 flat angles C4'-P-C4' energy: -75.206 flat angles P-C4'-P energy: -48.702 tors. eta vs tors. theta energy: -77.281 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: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1055.417587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.417587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.417587 (E_RNA) where: Base-Base interactions energy: -768.668 where: short stacking energy: -311.262 Base-Backbone interact. energy: 1.199 local terms energy: -287.948862 where: bonds (distance) C4'-P energy: -54.375 bonds (distance) P-C4' energy: -52.224 flat angles C4'-P-C4' energy: -62.478 flat angles P-C4'-P energy: -52.143 tors. eta vs tors. theta energy: -66.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1092.843005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.843005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.843005 (E_RNA) where: Base-Base interactions energy: -751.971 where: short stacking energy: -325.806 Base-Backbone interact. energy: -0.560 local terms energy: -340.311722 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -72.631 flat angles C4'-P-C4' energy: -70.359 flat angles P-C4'-P energy: -53.523 tors. eta vs tors. theta energy: -92.448 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: 110 Temperature: 1.200000 Total energy: -982.393674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.393674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.393674 (E_RNA) where: Base-Base interactions energy: -707.589 where: short stacking energy: -292.012 Base-Backbone interact. energy: 0.310 local terms energy: -275.114627 where: bonds (distance) C4'-P energy: -40.654 bonds (distance) P-C4' energy: -60.037 flat angles C4'-P-C4' energy: -58.827 flat angles P-C4'-P energy: -39.389 tors. eta vs tors. theta energy: -76.208 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: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -904.039324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.039324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.039324 (E_RNA) where: Base-Base interactions energy: -628.009 where: short stacking energy: -263.680 Base-Backbone interact. energy: -2.533 local terms energy: -273.497671 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -58.258 flat angles C4'-P-C4' energy: -58.721 flat angles P-C4'-P energy: -40.342 tors. eta vs tors. theta energy: -60.627 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: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -564.869892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.869892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.869892 (E_RNA) where: Base-Base interactions energy: -309.723 where: short stacking energy: -187.294 Base-Backbone interact. energy: -0.272 local terms energy: -254.874923 where: bonds (distance) C4'-P energy: -62.274 bonds (distance) P-C4' energy: -57.162 flat angles C4'-P-C4' energy: -56.004 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -36.859 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: 1 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -426.813158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.813158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.813158 (E_RNA) where: Base-Base interactions energy: -207.107 where: short stacking energy: -117.085 Base-Backbone interact. energy: -0.630 local terms energy: -219.076536 where: bonds (distance) C4'-P energy: -54.746 bonds (distance) P-C4' energy: -68.323 flat angles C4'-P-C4' energy: -51.288 flat angles P-C4'-P energy: -28.462 tors. eta vs tors. theta energy: -16.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1272.911476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.911476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.911476 (E_RNA) where: Base-Base interactions energy: -897.094 where: short stacking energy: -384.375 Base-Backbone interact. energy: 0.461 local terms energy: -376.277674 where: bonds (distance) C4'-P energy: -64.690 bonds (distance) P-C4' energy: -73.379 flat angles C4'-P-C4' energy: -77.264 flat angles P-C4'-P energy: -52.963 tors. eta vs tors. theta energy: -107.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1232.612805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.612805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.612805 (E_RNA) where: Base-Base interactions energy: -867.015 where: short stacking energy: -346.769 Base-Backbone interact. energy: 1.581 local terms energy: -367.178197 where: bonds (distance) C4'-P energy: -67.747 bonds (distance) P-C4' energy: -76.700 flat angles C4'-P-C4' energy: -70.259 flat angles P-C4'-P energy: -58.608 tors. eta vs tors. theta energy: -93.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1197.730147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.730147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.730147 (E_RNA) where: Base-Base interactions energy: -838.517 where: short stacking energy: -351.017 Base-Backbone interact. energy: -1.319 local terms energy: -357.893720 where: bonds (distance) C4'-P energy: -67.077 bonds (distance) P-C4' energy: -62.774 flat angles C4'-P-C4' energy: -76.366 flat angles P-C4'-P energy: -53.423 tors. eta vs tors. theta energy: -98.254 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: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1115.445427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.445427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.445427 (E_RNA) where: Base-Base interactions energy: -803.832 where: short stacking energy: -328.901 Base-Backbone interact. energy: -4.052 local terms energy: -307.560975 where: bonds (distance) C4'-P energy: -46.390 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -72.484 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: -83.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1055.037387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.037387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.037387 (E_RNA) where: Base-Base interactions energy: -744.454 where: short stacking energy: -309.408 Base-Backbone interact. energy: 1.249 local terms energy: -311.832721 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -56.202 flat angles C4'-P-C4' energy: -74.059 flat angles P-C4'-P energy: -38.131 tors. eta vs tors. theta energy: -82.038 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: 8 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1069.342012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.342012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.342012 (E_RNA) where: Base-Base interactions energy: -746.169 where: short stacking energy: -308.618 Base-Backbone interact. energy: -1.346 local terms energy: -321.827975 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -59.190 flat angles C4'-P-C4' energy: -69.392 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -85.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -988.257504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.257504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.257504 (E_RNA) where: Base-Base interactions energy: -658.109 where: short stacking energy: -278.712 Base-Backbone interact. energy: 4.864 local terms energy: -335.012585 where: bonds (distance) C4'-P energy: -66.956 bonds (distance) P-C4' energy: -70.403 flat angles C4'-P-C4' energy: -71.234 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: -81.150 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: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -903.694545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.694545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.694545 (E_RNA) where: Base-Base interactions energy: -634.526 where: short stacking energy: -277.653 Base-Backbone interact. energy: -0.945 local terms energy: -268.223818 where: bonds (distance) C4'-P energy: -50.953 bonds (distance) P-C4' energy: -55.485 flat angles C4'-P-C4' energy: -62.685 flat angles P-C4'-P energy: -34.478 tors. eta vs tors. theta energy: -64.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -551.280095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.280095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.280095 (E_RNA) where: Base-Base interactions energy: -334.245 where: short stacking energy: -184.236 Base-Backbone interact. energy: -0.717 local terms energy: -216.317881 where: bonds (distance) C4'-P energy: -52.910 bonds (distance) P-C4' energy: -57.433 flat angles C4'-P-C4' energy: -43.663 flat angles P-C4'-P energy: -30.031 tors. eta vs tors. theta energy: -32.280 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: 111 Temperature: 1.350000 Total energy: -436.395980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.395980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.395980 (E_RNA) where: Base-Base interactions energy: -226.150 where: short stacking energy: -151.000 Base-Backbone interact. energy: 1.742 local terms energy: -211.988203 where: bonds (distance) C4'-P energy: -55.074 bonds (distance) P-C4' energy: -51.851 flat angles C4'-P-C4' energy: -51.402 flat angles P-C4'-P energy: -32.768 tors. eta vs tors. theta energy: -20.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1266.143398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.143398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.143398 (E_RNA) where: Base-Base interactions energy: -884.150 where: short stacking energy: -361.573 Base-Backbone interact. energy: -0.771 local terms energy: -381.222780 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -69.002 flat angles C4'-P-C4' energy: -77.561 flat angles P-C4'-P energy: -60.524 tors. eta vs tors. theta energy: -104.556 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: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1245.351091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.351091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.351091 (E_RNA) where: Base-Base interactions energy: -886.121 where: short stacking energy: -345.432 Base-Backbone interact. energy: -1.291 local terms energy: -357.938628 where: bonds (distance) C4'-P energy: -67.835 bonds (distance) P-C4' energy: -68.632 flat angles C4'-P-C4' energy: -75.025 flat angles P-C4'-P energy: -52.531 tors. eta vs tors. theta energy: -93.915 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: 112 Temperature: 1.000000 Total energy: -1181.260767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.260767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.260767 (E_RNA) where: Base-Base interactions energy: -829.372 where: short stacking energy: -334.726 Base-Backbone interact. energy: 1.246 local terms energy: -353.134724 where: bonds (distance) C4'-P energy: -59.758 bonds (distance) P-C4' energy: -63.470 flat angles C4'-P-C4' energy: -72.806 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -101.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1126.340950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.340950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.340950 (E_RNA) where: Base-Base interactions energy: -813.506 where: short stacking energy: -324.422 Base-Backbone interact. energy: 0.324 local terms energy: -313.159189 where: bonds (distance) C4'-P energy: -68.415 bonds (distance) P-C4' energy: -49.991 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -35.662 tors. eta vs tors. theta energy: -81.966 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: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1103.686242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.686242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.686242 (E_RNA) where: Base-Base interactions energy: -772.995 where: short stacking energy: -329.462 Base-Backbone interact. energy: 2.710 local terms energy: -333.401895 where: bonds (distance) C4'-P energy: -75.334 bonds (distance) P-C4' energy: -56.260 flat angles C4'-P-C4' energy: -71.134 flat angles P-C4'-P energy: -41.641 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: 6, replica: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -995.635449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.635449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.635449 (E_RNA) where: Base-Base interactions energy: -695.058 where: short stacking energy: -298.205 Base-Backbone interact. energy: 0.587 local terms energy: -301.164134 where: bonds (distance) C4'-P energy: -52.767 bonds (distance) P-C4' energy: -73.075 flat angles C4'-P-C4' energy: -63.359 flat angles P-C4'-P energy: -45.423 tors. eta vs tors. theta energy: -66.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1011.110825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.110825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.110825 (E_RNA) where: Base-Base interactions energy: -684.706 where: short stacking energy: -296.773 Base-Backbone interact. energy: -1.575 local terms energy: -324.829859 where: bonds (distance) C4'-P energy: -64.880 bonds (distance) P-C4' energy: -72.588 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -35.526 tors. eta vs tors. theta energy: -82.364 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: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -928.859079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.859079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.859079 (E_RNA) where: Base-Base interactions energy: -622.110 where: short stacking energy: -278.752 Base-Backbone interact. energy: 0.763 local terms energy: -307.511724 where: bonds (distance) C4'-P energy: -55.372 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -54.660 flat angles P-C4'-P energy: -51.920 tors. eta vs tors. theta energy: -80.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -489.526415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.526415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.526415 (E_RNA) where: Base-Base interactions energy: -272.593 where: short stacking energy: -122.950 Base-Backbone interact. energy: -3.559 local terms energy: -213.374501 where: bonds (distance) C4'-P energy: -58.844 bonds (distance) P-C4' energy: -57.235 flat angles C4'-P-C4' energy: -48.083 flat angles P-C4'-P energy: -31.764 tors. eta vs tors. theta energy: -17.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -522.916024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.916024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.916024 (E_RNA) where: Base-Base interactions energy: -292.171 where: short stacking energy: -156.883 Base-Backbone interact. energy: 2.012 local terms energy: -232.757190 where: bonds (distance) C4'-P energy: -56.108 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -51.657 flat angles P-C4'-P energy: -32.918 tors. eta vs tors. theta energy: -22.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1301.245067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.245067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.245067 (E_RNA) where: Base-Base interactions energy: -911.717 where: short stacking energy: -407.301 Base-Backbone interact. energy: -0.783 local terms energy: -388.745593 where: bonds (distance) C4'-P energy: -65.068 bonds (distance) P-C4' energy: -70.364 flat angles C4'-P-C4' energy: -80.440 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -112.765 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1246.356676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.356676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.356676 (E_RNA) where: Base-Base interactions energy: -876.036 where: short stacking energy: -364.571 Base-Backbone interact. energy: 0.349 local terms energy: -370.669583 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -74.622 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -52.218 tors. eta vs tors. theta energy: -97.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1187.553624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.553624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.553624 (E_RNA) where: Base-Base interactions energy: -827.731 where: short stacking energy: -356.336 Base-Backbone interact. energy: -0.103 local terms energy: -359.719492 where: bonds (distance) C4'-P energy: -73.673 bonds (distance) P-C4' energy: -64.968 flat angles C4'-P-C4' energy: -72.713 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -102.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1119.600548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.600548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.600548 (E_RNA) where: Base-Base interactions energy: -795.570 where: short stacking energy: -321.252 Base-Backbone interact. energy: 1.823 local terms energy: -325.853970 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -67.559 flat angles C4'-P-C4' energy: -72.298 flat angles P-C4'-P energy: -54.375 tors. eta vs tors. theta energy: -77.987 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: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1084.793092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.793092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.793092 (E_RNA) where: Base-Base interactions energy: -763.821 where: short stacking energy: -305.567 Base-Backbone interact. energy: -0.374 local terms energy: -320.598003 where: bonds (distance) C4'-P energy: -71.238 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -70.792 flat angles P-C4'-P energy: -39.194 tors. eta vs tors. theta energy: -78.685 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: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -985.074069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.074069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.074069 (E_RNA) where: Base-Base interactions energy: -707.133 where: short stacking energy: -295.973 Base-Backbone interact. energy: 0.879 local terms energy: -278.819920 where: bonds (distance) C4'-P energy: -56.481 bonds (distance) P-C4' energy: -64.772 flat angles C4'-P-C4' energy: -65.491 flat angles P-C4'-P energy: -32.217 tors. eta vs tors. theta energy: -59.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -982.850980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.850980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.850980 (E_RNA) where: Base-Base interactions energy: -691.752 where: short stacking energy: -292.473 Base-Backbone interact. energy: -0.662 local terms energy: -290.437179 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -55.594 flat angles C4'-P-C4' energy: -66.036 flat angles P-C4'-P energy: -45.735 tors. eta vs tors. theta energy: -62.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -927.647352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.647352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.647352 (E_RNA) where: Base-Base interactions energy: -630.703 where: short stacking energy: -297.234 Base-Backbone interact. energy: -1.177 local terms energy: -295.767006 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -56.244 flat angles C4'-P-C4' energy: -68.352 flat angles P-C4'-P energy: -33.913 tors. eta vs tors. theta energy: -81.852 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: 1 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -498.157509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.157509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.157509 (E_RNA) where: Base-Base interactions energy: -284.093 where: short stacking energy: -120.563 Base-Backbone interact. energy: 2.274 local terms energy: -216.339070 where: bonds (distance) C4'-P energy: -61.723 bonds (distance) P-C4' energy: -59.048 flat angles C4'-P-C4' energy: -52.562 flat angles P-C4'-P energy: -35.750 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -497.001549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.001549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.001549 (E_RNA) where: Base-Base interactions energy: -296.024 where: short stacking energy: -149.538 Base-Backbone interact. energy: 0.198 local terms energy: -201.176319 where: bonds (distance) C4'-P energy: -49.858 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -43.798 flat angles P-C4'-P energy: -26.487 tors. eta vs tors. theta energy: -14.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1291.741700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.741700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.741700 (E_RNA) where: Base-Base interactions energy: -897.214 where: short stacking energy: -387.580 Base-Backbone interact. energy: -1.252 local terms energy: -393.275219 where: bonds (distance) C4'-P energy: -66.831 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -75.431 flat angles P-C4'-P energy: -54.888 tors. eta vs tors. theta energy: -111.764 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: 2, replica: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1216.396449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.396449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.396449 (E_RNA) where: Base-Base interactions energy: -868.563 where: short stacking energy: -354.775 Base-Backbone interact. energy: 0.053 local terms energy: -347.885963 where: bonds (distance) C4'-P energy: -66.412 bonds (distance) P-C4' energy: -64.437 flat angles C4'-P-C4' energy: -75.585 flat angles P-C4'-P energy: -47.476 tors. eta vs tors. theta energy: -93.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1215.637077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.637077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.637077 (E_RNA) where: Base-Base interactions energy: -855.468 where: short stacking energy: -359.533 Base-Backbone interact. energy: -0.517 local terms energy: -359.652340 where: bonds (distance) C4'-P energy: -74.021 bonds (distance) P-C4' energy: -57.798 flat angles C4'-P-C4' energy: -72.235 flat angles P-C4'-P energy: -52.949 tors. eta vs tors. theta energy: -102.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1131.843186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.843186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.843186 (E_RNA) where: Base-Base interactions energy: -813.939 where: short stacking energy: -316.206 Base-Backbone interact. energy: 1.106 local terms energy: -319.010366 where: bonds (distance) C4'-P energy: -57.161 bonds (distance) P-C4' energy: -70.565 flat angles C4'-P-C4' energy: -77.681 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: -76.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1092.957851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.957851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.957851 (E_RNA) where: Base-Base interactions energy: -770.280 where: short stacking energy: -322.456 Base-Backbone interact. energy: 0.265 local terms energy: -322.943160 where: bonds (distance) C4'-P energy: -60.821 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -66.943 flat angles P-C4'-P energy: -49.719 tors. eta vs tors. theta energy: -76.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -985.471691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.471691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.471691 (E_RNA) where: Base-Base interactions energy: -698.343 where: short stacking energy: -303.776 Base-Backbone interact. energy: -0.398 local terms energy: -286.730449 where: bonds (distance) C4'-P energy: -42.763 bonds (distance) P-C4' energy: -61.296 flat angles C4'-P-C4' energy: -60.528 flat angles P-C4'-P energy: -44.374 tors. eta vs tors. theta energy: -77.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -988.556834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.556834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.556834 (E_RNA) where: Base-Base interactions energy: -682.789 where: short stacking energy: -283.994 Base-Backbone interact. energy: -1.627 local terms energy: -304.141197 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -58.486 flat angles C4'-P-C4' energy: -71.012 flat angles P-C4'-P energy: -45.730 tors. eta vs tors. theta energy: -76.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -930.961092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.961092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.961092 (E_RNA) where: Base-Base interactions energy: -621.884 where: short stacking energy: -275.760 Base-Backbone interact. energy: -1.202 local terms energy: -307.875138 where: bonds (distance) C4'-P energy: -56.186 bonds (distance) P-C4' energy: -69.889 flat angles C4'-P-C4' energy: -61.760 flat angles P-C4'-P energy: -45.350 tors. eta vs tors. theta energy: -74.690 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: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -522.665657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.665657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.665657 (E_RNA) where: Base-Base interactions energy: -302.344 where: short stacking energy: -163.489 Base-Backbone interact. energy: 2.661 local terms energy: -222.983027 where: bonds (distance) C4'-P energy: -61.508 bonds (distance) P-C4' energy: -53.486 flat angles C4'-P-C4' energy: -59.132 flat angles P-C4'-P energy: -23.722 tors. eta vs tors. theta energy: -25.135 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: 114 Temperature: 1.350000 Total energy: -443.960524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.960524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.960524 (E_RNA) where: Base-Base interactions energy: -251.595 where: short stacking energy: -137.830 Base-Backbone interact. energy: -0.949 local terms energy: -191.416679 where: bonds (distance) C4'-P energy: -51.757 bonds (distance) P-C4' energy: -49.274 flat angles C4'-P-C4' energy: -48.108 flat angles P-C4'-P energy: -34.561 tors. eta vs tors. theta energy: -7.717 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: 1, replica: 4 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1307.102190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.102190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.102190 (E_RNA) where: Base-Base interactions energy: -926.278 where: short stacking energy: -377.510 Base-Backbone interact. energy: -1.007 local terms energy: -379.816670 where: bonds (distance) C4'-P energy: -68.519 bonds (distance) P-C4' energy: -70.595 flat angles C4'-P-C4' energy: -77.089 flat angles P-C4'-P energy: -58.037 tors. eta vs tors. theta energy: -105.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1236.825328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.825328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.825328 (E_RNA) where: Base-Base interactions energy: -861.147 where: short stacking energy: -372.772 Base-Backbone interact. energy: -1.039 local terms energy: -374.638898 where: bonds (distance) C4'-P energy: -72.421 bonds (distance) P-C4' energy: -76.917 flat angles C4'-P-C4' energy: -71.531 flat angles P-C4'-P energy: -48.851 tors. eta vs tors. theta energy: -104.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1196.661220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.661220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.661220 (E_RNA) where: Base-Base interactions energy: -852.814 where: short stacking energy: -347.902 Base-Backbone interact. energy: -1.175 local terms energy: -342.672364 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -72.955 flat angles C4'-P-C4' energy: -80.011 flat angles P-C4'-P energy: -37.696 tors. eta vs tors. theta energy: -88.852 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: 8 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1114.308868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.308868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.308868 (E_RNA) where: Base-Base interactions energy: -794.837 where: short stacking energy: -309.329 Base-Backbone interact. energy: -0.221 local terms energy: -319.250449 where: bonds (distance) C4'-P energy: -66.158 bonds (distance) P-C4' energy: -55.399 flat angles C4'-P-C4' energy: -70.447 flat angles P-C4'-P energy: -46.939 tors. eta vs tors. theta energy: -80.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1111.792425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.792425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.792425 (E_RNA) where: Base-Base interactions energy: -809.313 where: short stacking energy: -321.959 Base-Backbone interact. energy: -0.574 local terms energy: -301.905649 where: bonds (distance) C4'-P energy: -57.126 bonds (distance) P-C4' energy: -64.737 flat angles C4'-P-C4' energy: -65.331 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -71.952 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: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -981.032391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.032391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.032391 (E_RNA) where: Base-Base interactions energy: -667.231 where: short stacking energy: -296.844 Base-Backbone interact. energy: -0.992 local terms energy: -312.809141 where: bonds (distance) C4'-P energy: -54.166 bonds (distance) P-C4' energy: -64.826 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -83.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -983.310008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.310008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.310008 (E_RNA) where: Base-Base interactions energy: -680.192 where: short stacking energy: -285.589 Base-Backbone interact. energy: -0.897 local terms energy: -302.221263 where: bonds (distance) C4'-P energy: -50.804 bonds (distance) P-C4' energy: -59.882 flat angles C4'-P-C4' energy: -72.561 flat angles P-C4'-P energy: -48.452 tors. eta vs tors. theta energy: -70.521 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: 115 Temperature: 1.250000 Total energy: -894.289002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.289002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.289002 (E_RNA) where: Base-Base interactions energy: -588.105 where: short stacking energy: -259.290 Base-Backbone interact. energy: -1.039 local terms energy: -305.145111 where: bonds (distance) C4'-P energy: -64.855 bonds (distance) P-C4' energy: -67.887 flat angles C4'-P-C4' energy: -66.017 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -63.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -524.061362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.061362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.061362 (E_RNA) where: Base-Base interactions energy: -318.157 where: short stacking energy: -181.260 Base-Backbone interact. energy: -3.157 local terms energy: -202.747442 where: bonds (distance) C4'-P energy: -50.990 bonds (distance) P-C4' energy: -47.267 flat angles C4'-P-C4' energy: -49.580 flat angles P-C4'-P energy: -30.790 tors. eta vs tors. theta energy: -24.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -432.545573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.545573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.545573 (E_RNA) where: Base-Base interactions energy: -229.647 where: short stacking energy: -122.081 Base-Backbone interact. energy: -0.563 local terms energy: -202.335854 where: bonds (distance) C4'-P energy: -68.828 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -45.969 flat angles P-C4'-P energy: -27.350 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1289.571864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.571864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.571864 (E_RNA) where: Base-Base interactions energy: -915.370 where: short stacking energy: -384.750 Base-Backbone interact. energy: 0.464 local terms energy: -374.665244 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -64.019 flat angles C4'-P-C4' energy: -82.999 flat angles P-C4'-P energy: -50.871 tors. eta vs tors. theta energy: -105.414 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: 116 Temperature: 0.950000 Total energy: -1214.380309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.380309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.380309 (E_RNA) where: Base-Base interactions energy: -834.902 where: short stacking energy: -343.550 Base-Backbone interact. energy: -2.299 local terms energy: -377.179874 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -74.499 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -96.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1199.890586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.890586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.890586 (E_RNA) where: Base-Base interactions energy: -875.897 where: short stacking energy: -336.038 Base-Backbone interact. energy: -2.088 local terms energy: -321.906086 where: bonds (distance) C4'-P energy: -56.892 bonds (distance) P-C4' energy: -72.033 flat angles C4'-P-C4' energy: -70.521 flat angles P-C4'-P energy: -49.835 tors. eta vs tors. theta energy: -72.625 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: 4, replica: 8 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1099.693084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.693084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.693084 (E_RNA) where: Base-Base interactions energy: -765.424 where: short stacking energy: -329.043 Base-Backbone interact. energy: -0.996 local terms energy: -333.272677 where: bonds (distance) C4'-P energy: -59.341 bonds (distance) P-C4' energy: -65.259 flat angles C4'-P-C4' energy: -64.288 flat angles P-C4'-P energy: -60.458 tors. eta vs tors. theta energy: -83.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1062.235983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.235983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.235983 (E_RNA) where: Base-Base interactions energy: -760.959 where: short stacking energy: -300.938 Base-Backbone interact. energy: -2.124 local terms energy: -299.153368 where: bonds (distance) C4'-P energy: -58.208 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -71.472 flat angles P-C4'-P energy: -32.684 tors. eta vs tors. theta energy: -69.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -976.580391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.580391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.580391 (E_RNA) where: Base-Base interactions energy: -682.246 where: short stacking energy: -279.358 Base-Backbone interact. energy: -1.257 local terms energy: -293.077738 where: bonds (distance) C4'-P energy: -61.407 bonds (distance) P-C4' energy: -64.130 flat angles C4'-P-C4' energy: -68.717 flat angles P-C4'-P energy: -33.192 tors. eta vs tors. theta energy: -65.632 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: 116 Temperature: 1.200000 Total energy: -937.236402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.236402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.236402 (E_RNA) where: Base-Base interactions energy: -633.523 where: short stacking energy: -278.085 Base-Backbone interact. energy: 1.015 local terms energy: -304.727748 where: bonds (distance) C4'-P energy: -66.222 bonds (distance) P-C4' energy: -64.562 flat angles C4'-P-C4' energy: -58.111 flat angles P-C4'-P energy: -38.606 tors. eta vs tors. theta energy: -77.227 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: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -944.256600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.256600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.256600 (E_RNA) where: Base-Base interactions energy: -671.271 where: short stacking energy: -277.715 Base-Backbone interact. energy: 1.565 local terms energy: -274.550222 where: bonds (distance) C4'-P energy: -50.845 bonds (distance) P-C4' energy: -59.888 flat angles C4'-P-C4' energy: -56.965 flat angles P-C4'-P energy: -37.986 tors. eta vs tors. theta energy: -68.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -501.780051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.780051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.780051 (E_RNA) where: Base-Base interactions energy: -282.018 where: short stacking energy: -154.488 Base-Backbone interact. energy: -1.077 local terms energy: -218.685541 where: bonds (distance) C4'-P energy: -60.758 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -35.636 flat angles P-C4'-P energy: -42.998 tors. eta vs tors. theta energy: -19.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -375.235261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.235261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.235261 (E_RNA) where: Base-Base interactions energy: -174.603 where: short stacking energy: -104.434 Base-Backbone interact. energy: 0.085 local terms energy: -200.716916 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -57.304 flat angles C4'-P-C4' energy: -46.861 flat angles P-C4'-P energy: -35.121 tors. eta vs tors. theta energy: -4.290 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: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1287.383903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.383903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.383903 (E_RNA) where: Base-Base interactions energy: -901.362 where: short stacking energy: -383.472 Base-Backbone interact. energy: -0.825 local terms energy: -385.197482 where: bonds (distance) C4'-P energy: -77.028 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -72.581 flat angles P-C4'-P energy: -53.721 tors. eta vs tors. theta energy: -104.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1265.472310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.472310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.472310 (E_RNA) where: Base-Base interactions energy: -918.154 where: short stacking energy: -364.937 Base-Backbone interact. energy: 5.931 local terms energy: -353.249555 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -73.912 flat angles C4'-P-C4' energy: -85.880 flat angles P-C4'-P energy: -54.481 tors. eta vs tors. theta energy: -86.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1209.129751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.129751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.129751 (E_RNA) where: Base-Base interactions energy: -847.408 where: short stacking energy: -347.192 Base-Backbone interact. energy: -0.263 local terms energy: -361.458850 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -68.767 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -53.256 tors. eta vs tors. theta energy: -103.622 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: 8 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1128.115527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.115527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.115527 (E_RNA) where: Base-Base interactions energy: -798.227 where: short stacking energy: -338.511 Base-Backbone interact. energy: 0.375 local terms energy: -330.263862 where: bonds (distance) C4'-P energy: -70.247 bonds (distance) P-C4' energy: -63.704 flat angles C4'-P-C4' energy: -68.158 flat angles P-C4'-P energy: -49.006 tors. eta vs tors. theta energy: -79.148 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: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1082.109702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.109702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.109702 (E_RNA) where: Base-Base interactions energy: -766.539 where: short stacking energy: -309.406 Base-Backbone interact. energy: -1.370 local terms energy: -314.200957 where: bonds (distance) C4'-P energy: -54.232 bonds (distance) P-C4' energy: -57.824 flat angles C4'-P-C4' energy: -74.568 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -74.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -956.415292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.415292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.415292 (E_RNA) where: Base-Base interactions energy: -662.781 where: short stacking energy: -285.051 Base-Backbone interact. energy: 2.018 local terms energy: -295.652444 where: bonds (distance) C4'-P energy: -52.058 bonds (distance) P-C4' energy: -69.075 flat angles C4'-P-C4' energy: -70.284 flat angles P-C4'-P energy: -46.604 tors. eta vs tors. theta energy: -57.632 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: 117 Temperature: 1.200000 Total energy: -933.075899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.075899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.075899 (E_RNA) where: Base-Base interactions energy: -620.261 where: short stacking energy: -267.194 Base-Backbone interact. energy: -1.077 local terms energy: -311.738434 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -64.937 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -73.125 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: 117 Temperature: 1.250000 Total energy: -953.282670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.282670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.282670 (E_RNA) where: Base-Base interactions energy: -667.618 where: short stacking energy: -258.088 Base-Backbone interact. energy: 2.477 local terms energy: -288.141829 where: bonds (distance) C4'-P energy: -52.684 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -61.322 flat angles P-C4'-P energy: -43.865 tors. eta vs tors. theta energy: -66.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -537.836266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.836266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.836266 (E_RNA) where: Base-Base interactions energy: -329.584 where: short stacking energy: -175.072 Base-Backbone interact. energy: 4.485 local terms energy: -212.737231 where: bonds (distance) C4'-P energy: -47.884 bonds (distance) P-C4' energy: -50.156 flat angles C4'-P-C4' energy: -57.674 flat angles P-C4'-P energy: -33.549 tors. eta vs tors. theta energy: -23.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -454.625693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.625693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.625693 (E_RNA) where: Base-Base interactions energy: -251.605 where: short stacking energy: -131.407 Base-Backbone interact. energy: 0.537 local terms energy: -203.557829 where: bonds (distance) C4'-P energy: -46.002 bonds (distance) P-C4' energy: -70.202 flat angles C4'-P-C4' energy: -61.745 flat angles P-C4'-P energy: -19.688 tors. eta vs tors. theta energy: -5.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1296.585624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.585624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.585624 (E_RNA) where: Base-Base interactions energy: -914.243 where: short stacking energy: -381.045 Base-Backbone interact. energy: -0.619 local terms energy: -381.723111 where: bonds (distance) C4'-P energy: -69.069 bonds (distance) P-C4' energy: -78.175 flat angles C4'-P-C4' energy: -82.430 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -105.936 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: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1264.354187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.354187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.354187 (E_RNA) where: Base-Base interactions energy: -919.129 where: short stacking energy: -381.736 Base-Backbone interact. energy: -3.438 local terms energy: -341.787716 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -67.270 flat angles C4'-P-C4' energy: -69.571 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: -91.778 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: 9 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1209.261925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.261925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.261925 (E_RNA) where: Base-Base interactions energy: -847.911 where: short stacking energy: -345.548 Base-Backbone interact. energy: -2.637 local terms energy: -358.714436 where: bonds (distance) C4'-P energy: -49.684 bonds (distance) P-C4' energy: -67.892 flat angles C4'-P-C4' energy: -80.418 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -96.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1165.180176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.180176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.180176 (E_RNA) where: Base-Base interactions energy: -821.108 where: short stacking energy: -335.795 Base-Backbone interact. energy: -0.931 local terms energy: -343.140818 where: bonds (distance) C4'-P energy: -61.527 bonds (distance) P-C4' energy: -68.962 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -44.747 tors. eta vs tors. theta energy: -92.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1083.964424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.964424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.964424 (E_RNA) where: Base-Base interactions energy: -771.654 where: short stacking energy: -326.812 Base-Backbone interact. energy: 2.436 local terms energy: -314.746778 where: bonds (distance) C4'-P energy: -56.660 bonds (distance) P-C4' energy: -71.970 flat angles C4'-P-C4' energy: -63.905 flat angles P-C4'-P energy: -40.749 tors. eta vs tors. theta energy: -81.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -988.822230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.822230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.822230 (E_RNA) where: Base-Base interactions energy: -680.709 where: short stacking energy: -307.229 Base-Backbone interact. energy: -0.404 local terms energy: -307.709204 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -64.421 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -41.660 tors. eta vs tors. theta energy: -80.169 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: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -990.282957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.282957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.282957 (E_RNA) where: Base-Base interactions energy: -709.768 where: short stacking energy: -305.944 Base-Backbone interact. energy: 0.915 local terms energy: -281.429738 where: bonds (distance) C4'-P energy: -42.416 bonds (distance) P-C4' energy: -59.024 flat angles C4'-P-C4' energy: -60.041 flat angles P-C4'-P energy: -47.161 tors. eta vs tors. theta energy: -72.788 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: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -900.565970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.565970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.565970 (E_RNA) where: Base-Base interactions energy: -604.895 where: short stacking energy: -265.096 Base-Backbone interact. energy: -1.230 local terms energy: -294.440896 where: bonds (distance) C4'-P energy: -52.241 bonds (distance) P-C4' energy: -65.133 flat angles C4'-P-C4' energy: -70.104 flat angles P-C4'-P energy: -42.536 tors. eta vs tors. theta energy: -64.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -538.001614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.001614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.001614 (E_RNA) where: Base-Base interactions energy: -313.220 where: short stacking energy: -169.361 Base-Backbone interact. energy: -0.996 local terms energy: -223.786004 where: bonds (distance) C4'-P energy: -56.742 bonds (distance) P-C4' energy: -58.426 flat angles C4'-P-C4' energy: -48.816 flat angles P-C4'-P energy: -34.738 tors. eta vs tors. theta energy: -25.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -507.460514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.460514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.460514 (E_RNA) where: Base-Base interactions energy: -287.896 where: short stacking energy: -153.480 Base-Backbone interact. energy: 0.351 local terms energy: -219.915298 where: bonds (distance) C4'-P energy: -50.088 bonds (distance) P-C4' energy: -69.797 flat angles C4'-P-C4' energy: -40.748 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -23.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1285.371201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.371201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.371201 (E_RNA) where: Base-Base interactions energy: -909.736 where: short stacking energy: -380.803 Base-Backbone interact. energy: -0.673 local terms energy: -374.961668 where: bonds (distance) C4'-P energy: -62.543 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -78.357 flat angles P-C4'-P energy: -55.765 tors. eta vs tors. theta energy: -111.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1242.285147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.285147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.285147 (E_RNA) where: Base-Base interactions energy: -877.360 where: short stacking energy: -364.201 Base-Backbone interact. energy: 0.012 local terms energy: -364.936951 where: bonds (distance) C4'-P energy: -57.486 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -77.274 flat angles P-C4'-P energy: -55.931 tors. eta vs tors. theta energy: -108.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1241.997310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.997310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.997310 (E_RNA) where: Base-Base interactions energy: -902.677 where: short stacking energy: -364.608 Base-Backbone interact. energy: -1.046 local terms energy: -338.274046 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -66.928 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -52.326 tors. eta vs tors. theta energy: -84.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1120.435546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.435546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.435546 (E_RNA) where: Base-Base interactions energy: -794.505 where: short stacking energy: -322.369 Base-Backbone interact. energy: 1.759 local terms energy: -327.690042 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -72.237 flat angles C4'-P-C4' energy: -80.257 flat angles P-C4'-P energy: -37.051 tors. eta vs tors. theta energy: -82.313 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: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1108.914080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.914080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.914080 (E_RNA) where: Base-Base interactions energy: -794.622 where: short stacking energy: -326.030 Base-Backbone interact. energy: 0.278 local terms energy: -314.570475 where: bonds (distance) C4'-P energy: -62.083 bonds (distance) P-C4' energy: -54.141 flat angles C4'-P-C4' energy: -64.372 flat angles P-C4'-P energy: -49.995 tors. eta vs tors. theta energy: -83.980 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: 10 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1009.393142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.393142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.393142 (E_RNA) where: Base-Base interactions energy: -700.875 where: short stacking energy: -303.130 Base-Backbone interact. energy: -2.674 local terms energy: -305.844440 where: bonds (distance) C4'-P energy: -66.386 bonds (distance) P-C4' energy: -64.013 flat angles C4'-P-C4' energy: -71.946 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -72.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -956.078705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.078705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.078705 (E_RNA) where: Base-Base interactions energy: -665.633 where: short stacking energy: -290.650 Base-Backbone interact. energy: 0.529 local terms energy: -290.974677 where: bonds (distance) C4'-P energy: -52.472 bonds (distance) P-C4' energy: -64.001 flat angles C4'-P-C4' energy: -69.100 flat angles P-C4'-P energy: -45.635 tors. eta vs tors. theta energy: -59.768 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: 119 Temperature: 1.250000 Total energy: -893.271823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.271823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.271823 (E_RNA) where: Base-Base interactions energy: -608.592 where: short stacking energy: -256.697 Base-Backbone interact. energy: -0.673 local terms energy: -284.006945 where: bonds (distance) C4'-P energy: -63.818 bonds (distance) P-C4' energy: -61.952 flat angles C4'-P-C4' energy: -62.292 flat angles P-C4'-P energy: -35.935 tors. eta vs tors. theta energy: -60.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -561.647374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.647374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.647374 (E_RNA) where: Base-Base interactions energy: -325.061 where: short stacking energy: -165.454 Base-Backbone interact. energy: 0.439 local terms energy: -237.025347 where: bonds (distance) C4'-P energy: -59.613 bonds (distance) P-C4' energy: -68.550 flat angles C4'-P-C4' energy: -46.469 flat angles P-C4'-P energy: -34.962 tors. eta vs tors. theta energy: -27.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -542.518121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.518121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.518121 (E_RNA) where: Base-Base interactions energy: -327.123 where: short stacking energy: -157.999 Base-Backbone interact. energy: 1.955 local terms energy: -217.350853 where: bonds (distance) C4'-P energy: -55.645 bonds (distance) P-C4' energy: -60.458 flat angles C4'-P-C4' energy: -51.100 flat angles P-C4'-P energy: -34.876 tors. eta vs tors. theta energy: -15.273 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: 120 Temperature: 0.900000 Total energy: -1281.316248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.316248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.316248 (E_RNA) where: Base-Base interactions energy: -911.660 where: short stacking energy: -377.170 Base-Backbone interact. energy: -0.411 local terms energy: -369.245173 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -74.023 flat angles C4'-P-C4' energy: -74.734 flat angles P-C4'-P energy: -57.328 tors. eta vs tors. theta energy: -99.993 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: 9 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1258.313017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.313017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.313017 (E_RNA) where: Base-Base interactions energy: -884.511 where: short stacking energy: -387.919 Base-Backbone interact. energy: 0.580 local terms energy: -374.382048 where: bonds (distance) C4'-P energy: -65.805 bonds (distance) P-C4' energy: -73.990 flat angles C4'-P-C4' energy: -76.084 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -110.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1249.799287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.799287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.799287 (E_RNA) where: Base-Base interactions energy: -905.789 where: short stacking energy: -361.030 Base-Backbone interact. energy: -0.204 local terms energy: -343.806638 where: bonds (distance) C4'-P energy: -54.739 bonds (distance) P-C4' energy: -68.260 flat angles C4'-P-C4' energy: -84.613 flat angles P-C4'-P energy: -45.305 tors. eta vs tors. theta energy: -90.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1143.022038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.022038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.022038 (E_RNA) where: Base-Base interactions energy: -815.767 where: short stacking energy: -319.391 Base-Backbone interact. energy: 0.270 local terms energy: -327.524815 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -67.102 flat angles C4'-P-C4' energy: -64.952 flat angles P-C4'-P energy: -49.886 tors. eta vs tors. theta energy: -81.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1007.074508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.074508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.074508 (E_RNA) where: Base-Base interactions energy: -706.853 where: short stacking energy: -302.167 Base-Backbone interact. energy: 1.561 local terms energy: -301.783259 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -49.035 flat angles C4'-P-C4' energy: -75.885 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: -68.547 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: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1056.565024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.565024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.565024 (E_RNA) where: Base-Base interactions energy: -728.262 where: short stacking energy: -299.036 Base-Backbone interact. energy: 0.918 local terms energy: -329.220647 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -71.299 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -76.578 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: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -953.208889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.208889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.208889 (E_RNA) where: Base-Base interactions energy: -657.396 where: short stacking energy: -288.563 Base-Backbone interact. energy: 0.241 local terms energy: -296.053753 where: bonds (distance) C4'-P energy: -59.119 bonds (distance) P-C4' energy: -54.417 flat angles C4'-P-C4' energy: -69.169 flat angles P-C4'-P energy: -40.775 tors. eta vs tors. theta energy: -72.573 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: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -907.747036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.747036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.747036 (E_RNA) where: Base-Base interactions energy: -629.885 where: short stacking energy: -268.287 Base-Backbone interact. energy: 7.463 local terms energy: -285.325409 where: bonds (distance) C4'-P energy: -53.511 bonds (distance) P-C4' energy: -62.304 flat angles C4'-P-C4' energy: -60.016 flat angles P-C4'-P energy: -27.143 tors. eta vs tors. theta energy: -82.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -558.857917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.857917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.857917 (E_RNA) where: Base-Base interactions energy: -314.027 where: short stacking energy: -154.705 Base-Backbone interact. energy: -0.054 local terms energy: -244.777677 where: bonds (distance) C4'-P energy: -68.067 bonds (distance) P-C4' energy: -62.137 flat angles C4'-P-C4' energy: -50.248 flat angles P-C4'-P energy: -36.669 tors. eta vs tors. theta energy: -27.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -531.759087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.759087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.759087 (E_RNA) where: Base-Base interactions energy: -340.589 where: short stacking energy: -137.167 Base-Backbone interact. energy: 0.820 local terms energy: -191.990439 where: bonds (distance) C4'-P energy: -51.937 bonds (distance) P-C4' energy: -57.249 flat angles C4'-P-C4' energy: -49.287 flat angles P-C4'-P energy: -29.182 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1291.854180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.854180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.854180 (E_RNA) where: Base-Base interactions energy: -914.505 where: short stacking energy: -390.703 Base-Backbone interact. energy: -1.077 local terms energy: -376.272097 where: bonds (distance) C4'-P energy: -63.542 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -75.576 flat angles P-C4'-P energy: -52.930 tors. eta vs tors. theta energy: -108.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1282.145630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.145630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.145630 (E_RNA) where: Base-Base interactions energy: -923.119 where: short stacking energy: -372.246 Base-Backbone interact. energy: -1.648 local terms energy: -357.379261 where: bonds (distance) C4'-P energy: -59.384 bonds (distance) P-C4' energy: -72.957 flat angles C4'-P-C4' energy: -74.047 flat angles P-C4'-P energy: -53.119 tors. eta vs tors. theta energy: -97.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1250.811098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.811098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.811098 (E_RNA) where: Base-Base interactions energy: -880.863 where: short stacking energy: -373.627 Base-Backbone interact. energy: -0.618 local terms energy: -369.329562 where: bonds (distance) C4'-P energy: -75.416 bonds (distance) P-C4' energy: -68.534 flat angles C4'-P-C4' energy: -68.435 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -110.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1151.275025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.275025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.275025 (E_RNA) where: Base-Base interactions energy: -827.320 where: short stacking energy: -329.590 Base-Backbone interact. energy: 0.803 local terms energy: -324.757846 where: bonds (distance) C4'-P energy: -69.712 bonds (distance) P-C4' energy: -58.940 flat angles C4'-P-C4' energy: -74.980 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: -78.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -992.856573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.856573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.856573 (E_RNA) where: Base-Base interactions energy: -692.758 where: short stacking energy: -289.551 Base-Backbone interact. energy: 3.069 local terms energy: -303.167632 where: bonds (distance) C4'-P energy: -60.713 bonds (distance) P-C4' energy: -64.683 flat angles C4'-P-C4' energy: -66.680 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: -67.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1087.182014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.182014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.182014 (E_RNA) where: Base-Base interactions energy: -750.237 where: short stacking energy: -311.093 Base-Backbone interact. energy: -0.333 local terms energy: -336.611329 where: bonds (distance) C4'-P energy: -68.200 bonds (distance) P-C4' energy: -66.705 flat angles C4'-P-C4' energy: -61.490 flat angles P-C4'-P energy: -55.465 tors. eta vs tors. theta energy: -84.751 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: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -938.725400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.725400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.725400 (E_RNA) where: Base-Base interactions energy: -619.322 where: short stacking energy: -279.322 Base-Backbone interact. energy: -0.053 local terms energy: -319.351025 where: bonds (distance) C4'-P energy: -62.091 bonds (distance) P-C4' energy: -65.988 flat angles C4'-P-C4' energy: -70.076 flat angles P-C4'-P energy: -54.529 tors. eta vs tors. theta energy: -66.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -909.808452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.808452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.808452 (E_RNA) where: Base-Base interactions energy: -648.932 where: short stacking energy: -289.315 Base-Backbone interact. energy: -0.096 local terms energy: -260.780777 where: bonds (distance) C4'-P energy: -37.791 bonds (distance) P-C4' energy: -51.639 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -37.582 tors. eta vs tors. theta energy: -65.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -592.100900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.100900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.100900 (E_RNA) where: Base-Base interactions energy: -357.163 where: short stacking energy: -181.690 Base-Backbone interact. energy: -0.372 local terms energy: -234.565428 where: bonds (distance) C4'-P energy: -53.789 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -52.434 flat angles P-C4'-P energy: -37.752 tors. eta vs tors. theta energy: -31.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -566.902688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.902688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.902688 (E_RNA) where: Base-Base interactions energy: -344.297 where: short stacking energy: -156.921 Base-Backbone interact. energy: -0.595 local terms energy: -222.009783 where: bonds (distance) C4'-P energy: -46.113 bonds (distance) P-C4' energy: -63.683 flat angles C4'-P-C4' energy: -66.716 flat angles P-C4'-P energy: -29.455 tors. eta vs tors. theta energy: -16.042 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: 1, replica: 4 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1269.402674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.402674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.402674 (E_RNA) where: Base-Base interactions energy: -877.768 where: short stacking energy: -376.897 Base-Backbone interact. energy: 0.540 local terms energy: -392.174667 where: bonds (distance) C4'-P energy: -72.824 bonds (distance) P-C4' energy: -74.624 flat angles C4'-P-C4' energy: -79.917 flat angles P-C4'-P energy: -60.812 tors. eta vs tors. theta energy: -103.998 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: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1279.497334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.497334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.497334 (E_RNA) where: Base-Base interactions energy: -911.422 where: short stacking energy: -368.443 Base-Backbone interact. energy: -0.165 local terms energy: -367.909742 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -71.336 flat angles C4'-P-C4' energy: -79.237 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -94.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1207.523289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.523289 (E_RNA) where: Base-Base interactions energy: -851.756 where: short stacking energy: -366.608 Base-Backbone interact. energy: 0.600 local terms energy: -356.366695 where: bonds (distance) C4'-P energy: -58.485 bonds (distance) P-C4' energy: -70.264 flat angles C4'-P-C4' energy: -75.665 flat angles P-C4'-P energy: -40.602 tors. eta vs tors. theta energy: -111.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1115.165166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.165166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.165166 (E_RNA) where: Base-Base interactions energy: -793.011 where: short stacking energy: -323.735 Base-Backbone interact. energy: -0.625 local terms energy: -321.529184 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -73.223 flat angles P-C4'-P energy: -51.496 tors. eta vs tors. theta energy: -73.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1122.309013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.309013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.309013 (E_RNA) where: Base-Base interactions energy: -786.788 where: short stacking energy: -346.288 Base-Backbone interact. energy: 0.869 local terms energy: -336.390297 where: bonds (distance) C4'-P energy: -48.759 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -77.503 flat angles P-C4'-P energy: -55.739 tors. eta vs tors. theta energy: -87.988 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: 10 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -988.500465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.500465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.500465 (E_RNA) where: Base-Base interactions energy: -666.942 where: short stacking energy: -277.182 Base-Backbone interact. energy: 0.227 local terms energy: -321.785073 where: bonds (distance) C4'-P energy: -69.605 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -69.605 flat angles P-C4'-P energy: -49.798 tors. eta vs tors. theta energy: -69.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -929.147623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.147623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.147623 (E_RNA) where: Base-Base interactions energy: -624.674 where: short stacking energy: -288.369 Base-Backbone interact. energy: -1.137 local terms energy: -303.336243 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -62.678 flat angles C4'-P-C4' energy: -54.772 flat angles P-C4'-P energy: -44.887 tors. eta vs tors. theta energy: -74.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -902.696654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.696654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.696654 (E_RNA) where: Base-Base interactions energy: -631.415 where: short stacking energy: -274.410 Base-Backbone interact. energy: -0.170 local terms energy: -271.111210 where: bonds (distance) C4'-P energy: -55.423 bonds (distance) P-C4' energy: -57.971 flat angles C4'-P-C4' energy: -59.516 flat angles P-C4'-P energy: -36.863 tors. eta vs tors. theta energy: -61.338 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: 9, replica: 1 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -641.260530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.260530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.260530 (E_RNA) where: Base-Base interactions energy: -390.410 where: short stacking energy: -182.736 Base-Backbone interact. energy: 4.126 local terms energy: -254.976953 where: bonds (distance) C4'-P energy: -55.900 bonds (distance) P-C4' energy: -77.352 flat angles C4'-P-C4' energy: -53.045 flat angles P-C4'-P energy: -38.952 tors. eta vs tors. theta energy: -29.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -562.128980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.128980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.128980 (E_RNA) where: Base-Base interactions energy: -345.254 where: short stacking energy: -172.231 Base-Backbone interact. energy: -2.804 local terms energy: -214.071627 where: bonds (distance) C4'-P energy: -59.044 bonds (distance) P-C4' energy: -51.430 flat angles C4'-P-C4' energy: -46.898 flat angles P-C4'-P energy: -29.688 tors. eta vs tors. theta energy: -27.012 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: 1, replica: 4 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1279.296394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.296394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.296394 (E_RNA) where: Base-Base interactions energy: -901.498 where: short stacking energy: -371.073 Base-Backbone interact. energy: -0.479 local terms energy: -377.318560 where: bonds (distance) C4'-P energy: -68.532 bonds (distance) P-C4' energy: -63.969 flat angles C4'-P-C4' energy: -84.294 flat angles P-C4'-P energy: -59.787 tors. eta vs tors. theta energy: -100.736 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: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1286.642855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.642855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.642855 (E_RNA) where: Base-Base interactions energy: -926.196 where: short stacking energy: -371.731 Base-Backbone interact. energy: 1.220 local terms energy: -361.666826 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -68.111 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -99.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1221.404813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.404813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.404813 (E_RNA) where: Base-Base interactions energy: -866.472 where: short stacking energy: -369.175 Base-Backbone interact. energy: -1.105 local terms energy: -353.827266 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -65.711 flat angles C4'-P-C4' energy: -78.183 flat angles P-C4'-P energy: -42.609 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1132.995636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.995636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.995636 (E_RNA) where: Base-Base interactions energy: -816.935 where: short stacking energy: -321.537 Base-Backbone interact. energy: -1.482 local terms energy: -314.578690 where: bonds (distance) C4'-P energy: -61.466 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -67.343 flat angles P-C4'-P energy: -40.599 tors. eta vs tors. theta energy: -77.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1139.399039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.399039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.399039 (E_RNA) where: Base-Base interactions energy: -805.677 where: short stacking energy: -344.216 Base-Backbone interact. energy: 0.471 local terms energy: -334.192671 where: bonds (distance) C4'-P energy: -55.689 bonds (distance) P-C4' energy: -64.912 flat angles C4'-P-C4' energy: -79.189 flat angles P-C4'-P energy: -40.151 tors. eta vs tors. theta energy: -94.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -958.521749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.521749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.521749 (E_RNA) where: Base-Base interactions energy: -663.533 where: short stacking energy: -281.309 Base-Backbone interact. energy: -0.410 local terms energy: -294.579084 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -55.108 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -45.932 tors. eta vs tors. theta energy: -58.934 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: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -954.947956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.947956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.947956 (E_RNA) where: Base-Base interactions energy: -647.498 where: short stacking energy: -290.382 Base-Backbone interact. energy: -1.235 local terms energy: -306.214381 where: bonds (distance) C4'-P energy: -51.175 bonds (distance) P-C4' energy: -54.844 flat angles C4'-P-C4' energy: -73.851 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -79.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -935.210908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.210908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.210908 (E_RNA) where: Base-Base interactions energy: -627.486 where: short stacking energy: -277.267 Base-Backbone interact. energy: 0.611 local terms energy: -308.336788 where: bonds (distance) C4'-P energy: -58.463 bonds (distance) P-C4' energy: -61.356 flat angles C4'-P-C4' energy: -66.768 flat angles P-C4'-P energy: -41.022 tors. eta vs tors. theta energy: -80.728 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: 123 Temperature: 1.300000 Total energy: -624.786365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.786365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.786365 (E_RNA) where: Base-Base interactions energy: -398.377 where: short stacking energy: -180.983 Base-Backbone interact. energy: 8.846 local terms energy: -235.255731 where: bonds (distance) C4'-P energy: -56.403 bonds (distance) P-C4' energy: -53.010 flat angles C4'-P-C4' energy: -58.798 flat angles P-C4'-P energy: -39.921 tors. eta vs tors. theta energy: -27.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -544.167445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.167445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.167445 (E_RNA) where: Base-Base interactions energy: -325.054 where: short stacking energy: -151.651 Base-Backbone interact. energy: -1.122 local terms energy: -217.991354 where: bonds (distance) C4'-P energy: -46.364 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -59.238 flat angles P-C4'-P energy: -36.550 tors. eta vs tors. theta energy: -15.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1289.262831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.262831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.262831 (E_RNA) where: Base-Base interactions energy: -908.426 where: short stacking energy: -402.780 Base-Backbone interact. energy: -0.947 local terms energy: -379.889831 where: bonds (distance) C4'-P energy: -74.423 bonds (distance) P-C4' energy: -66.114 flat angles C4'-P-C4' energy: -78.771 flat angles P-C4'-P energy: -52.893 tors. eta vs tors. theta energy: -107.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1277.346666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.346666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.346666 (E_RNA) where: Base-Base interactions energy: -925.209 where: short stacking energy: -372.738 Base-Backbone interact. energy: -1.658 local terms energy: -350.480402 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -65.905 flat angles C4'-P-C4' energy: -73.357 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -103.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1225.991192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.991192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.991192 (E_RNA) where: Base-Base interactions energy: -852.417 where: short stacking energy: -351.339 Base-Backbone interact. energy: -2.497 local terms energy: -371.077196 where: bonds (distance) C4'-P energy: -61.815 bonds (distance) P-C4' energy: -70.008 flat angles C4'-P-C4' energy: -79.561 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -106.013 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: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1140.346837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.346837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.346837 (E_RNA) where: Base-Base interactions energy: -810.818 where: short stacking energy: -329.290 Base-Backbone interact. energy: 1.647 local terms energy: -331.175960 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -63.372 flat angles C4'-P-C4' energy: -66.581 flat angles P-C4'-P energy: -52.707 tors. eta vs tors. theta energy: -80.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1105.329031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.329031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.329031 (E_RNA) where: Base-Base interactions energy: -764.048 where: short stacking energy: -330.843 Base-Backbone interact. energy: -1.691 local terms energy: -339.589707 where: bonds (distance) C4'-P energy: -63.264 bonds (distance) P-C4' energy: -69.251 flat angles C4'-P-C4' energy: -72.474 flat angles P-C4'-P energy: -40.671 tors. eta vs tors. theta energy: -93.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -953.114368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.114368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.114368 (E_RNA) where: Base-Base interactions energy: -650.382 where: short stacking energy: -285.335 Base-Backbone interact. energy: -0.887 local terms energy: -301.846229 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -54.442 flat angles C4'-P-C4' energy: -75.996 flat angles P-C4'-P energy: -40.645 tors. eta vs tors. theta energy: -71.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -955.345634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.345634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.345634 (E_RNA) where: Base-Base interactions energy: -658.970 where: short stacking energy: -287.688 Base-Backbone interact. energy: -0.828 local terms energy: -295.547825 where: bonds (distance) C4'-P energy: -59.110 bonds (distance) P-C4' energy: -58.405 flat angles C4'-P-C4' energy: -60.597 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -73.448 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: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -892.512338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.512338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.512338 (E_RNA) where: Base-Base interactions energy: -611.182 where: short stacking energy: -247.709 Base-Backbone interact. energy: 0.025 local terms energy: -281.355423 where: bonds (distance) C4'-P energy: -59.285 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -59.564 flat angles P-C4'-P energy: -41.594 tors. eta vs tors. theta energy: -60.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -663.884660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.884660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.884660 (E_RNA) where: Base-Base interactions energy: -422.827 where: short stacking energy: -187.918 Base-Backbone interact. energy: -0.760 local terms energy: -240.297569 where: bonds (distance) C4'-P energy: -54.544 bonds (distance) P-C4' energy: -70.437 flat angles C4'-P-C4' energy: -61.939 flat angles P-C4'-P energy: -38.583 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -593.917824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.917824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.917824 (E_RNA) where: Base-Base interactions energy: -379.968 where: short stacking energy: -183.644 Base-Backbone interact. energy: 1.016 local terms energy: -214.965546 where: bonds (distance) C4'-P energy: -52.612 bonds (distance) P-C4' energy: -62.646 flat angles C4'-P-C4' energy: -51.410 flat angles P-C4'-P energy: -31.518 tors. eta vs tors. theta energy: -16.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1290.377254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.377254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.377254 (E_RNA) where: Base-Base interactions energy: -911.380 where: short stacking energy: -396.914 Base-Backbone interact. energy: 1.179 local terms energy: -380.176308 where: bonds (distance) C4'-P energy: -63.279 bonds (distance) P-C4' energy: -67.201 flat angles C4'-P-C4' energy: -79.582 flat angles P-C4'-P energy: -59.530 tors. eta vs tors. theta energy: -110.585 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: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1251.670073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.670073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.670073 (E_RNA) where: Base-Base interactions energy: -866.690 where: short stacking energy: -358.801 Base-Backbone interact. energy: -1.012 local terms energy: -383.968061 where: bonds (distance) C4'-P energy: -71.491 bonds (distance) P-C4' energy: -68.635 flat angles C4'-P-C4' energy: -80.340 flat angles P-C4'-P energy: -52.812 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1254.145632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.145632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.145632 (E_RNA) where: Base-Base interactions energy: -899.775 where: short stacking energy: -346.629 Base-Backbone interact. energy: 2.926 local terms energy: -357.296423 where: bonds (distance) C4'-P energy: -69.786 bonds (distance) P-C4' energy: -59.757 flat angles C4'-P-C4' energy: -86.204 flat angles P-C4'-P energy: -48.816 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: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1163.863539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.863539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.863539 (E_RNA) where: Base-Base interactions energy: -839.270 where: short stacking energy: -320.183 Base-Backbone interact. energy: 2.042 local terms energy: -326.635553 where: bonds (distance) C4'-P energy: -61.078 bonds (distance) P-C4' energy: -63.594 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -48.400 tors. eta vs tors. theta energy: -81.648 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: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1104.872724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.872724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.872724 (E_RNA) where: Base-Base interactions energy: -776.258 where: short stacking energy: -324.520 Base-Backbone interact. energy: -1.202 local terms energy: -327.411795 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -56.226 flat angles C4'-P-C4' energy: -76.995 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -83.438 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: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -938.678225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.678225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.678225 (E_RNA) where: Base-Base interactions energy: -664.776 where: short stacking energy: -276.169 Base-Backbone interact. energy: 0.799 local terms energy: -274.701159 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -42.457 flat angles C4'-P-C4' energy: -67.714 flat angles P-C4'-P energy: -38.971 tors. eta vs tors. theta energy: -61.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -931.375362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.375362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.375362 (E_RNA) where: Base-Base interactions energy: -613.858 where: short stacking energy: -284.936 Base-Backbone interact. energy: -0.383 local terms energy: -317.133856 where: bonds (distance) C4'-P energy: -55.160 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -69.432 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -77.632 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: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -917.287121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.287121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.287121 (E_RNA) where: Base-Base interactions energy: -647.294 where: short stacking energy: -254.339 Base-Backbone interact. energy: -1.467 local terms energy: -268.525622 where: bonds (distance) C4'-P energy: -55.723 bonds (distance) P-C4' energy: -52.707 flat angles C4'-P-C4' energy: -59.500 flat angles P-C4'-P energy: -40.167 tors. eta vs tors. theta energy: -60.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -630.617325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.617325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.617325 (E_RNA) where: Base-Base interactions energy: -406.773 where: short stacking energy: -197.714 Base-Backbone interact. energy: -0.494 local terms energy: -223.351099 where: bonds (distance) C4'-P energy: -40.313 bonds (distance) P-C4' energy: -62.016 flat angles C4'-P-C4' energy: -60.289 flat angles P-C4'-P energy: -27.723 tors. eta vs tors. theta energy: -33.010 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: 2 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -506.082183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.082183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.082183 (E_RNA) where: Base-Base interactions energy: -273.338 where: short stacking energy: -135.642 Base-Backbone interact. energy: 2.598 local terms energy: -235.342196 where: bonds (distance) C4'-P energy: -55.693 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -59.714 flat angles P-C4'-P energy: -35.749 tors. eta vs tors. theta energy: -17.829 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: 4 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1288.818569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.818569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.818569 (E_RNA) where: Base-Base interactions energy: -897.633 where: short stacking energy: -384.831 Base-Backbone interact. energy: -1.447 local terms energy: -389.738463 where: bonds (distance) C4'-P energy: -74.776 bonds (distance) P-C4' energy: -73.477 flat angles C4'-P-C4' energy: -81.669 flat angles P-C4'-P energy: -49.904 tors. eta vs tors. theta energy: -109.913 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: 9 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1239.414318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.414318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.414318 (E_RNA) where: Base-Base interactions energy: -870.240 where: short stacking energy: -375.672 Base-Backbone interact. energy: -1.116 local terms energy: -368.058107 where: bonds (distance) C4'-P energy: -67.596 bonds (distance) P-C4' energy: -74.048 flat angles C4'-P-C4' energy: -77.166 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -98.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1241.286271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.286271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.286271 (E_RNA) where: Base-Base interactions energy: -888.633 where: short stacking energy: -361.097 Base-Backbone interact. energy: 0.070 local terms energy: -352.723612 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -67.603 flat angles C4'-P-C4' energy: -64.953 flat angles P-C4'-P energy: -52.702 tors. eta vs tors. theta energy: -99.412 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: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1150.947557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.947557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.947557 (E_RNA) where: Base-Base interactions energy: -812.043 where: short stacking energy: -331.184 Base-Backbone interact. energy: 2.432 local terms energy: -341.336122 where: bonds (distance) C4'-P energy: -61.371 bonds (distance) P-C4' energy: -65.338 flat angles C4'-P-C4' energy: -78.888 flat angles P-C4'-P energy: -47.863 tors. eta vs tors. theta energy: -87.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1095.312114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.312114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.312114 (E_RNA) where: Base-Base interactions energy: -768.128 where: short stacking energy: -319.358 Base-Backbone interact. energy: 2.576 local terms energy: -329.760576 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -68.063 flat angles C4'-P-C4' energy: -74.668 flat angles P-C4'-P energy: -47.788 tors. eta vs tors. theta energy: -80.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -982.359631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.359631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.359631 (E_RNA) where: Base-Base interactions energy: -689.510 where: short stacking energy: -278.137 Base-Backbone interact. energy: -0.725 local terms energy: -292.125256 where: bonds (distance) C4'-P energy: -52.922 bonds (distance) P-C4' energy: -65.006 flat angles C4'-P-C4' energy: -70.256 flat angles P-C4'-P energy: -41.801 tors. eta vs tors. theta energy: -62.140 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: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -951.241165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.241165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.241165 (E_RNA) where: Base-Base interactions energy: -652.140 where: short stacking energy: -271.161 Base-Backbone interact. energy: -0.227 local terms energy: -298.874481 where: bonds (distance) C4'-P energy: -62.769 bonds (distance) P-C4' energy: -61.008 flat angles C4'-P-C4' energy: -69.119 flat angles P-C4'-P energy: -43.340 tors. eta vs tors. theta energy: -62.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -908.687511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.687511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.687511 (E_RNA) where: Base-Base interactions energy: -594.673 where: short stacking energy: -257.303 Base-Backbone interact. energy: -1.301 local terms energy: -312.713878 where: bonds (distance) C4'-P energy: -60.806 bonds (distance) P-C4' energy: -69.200 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -46.393 tors. eta vs tors. theta energy: -72.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -648.854287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.854287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.854287 (E_RNA) where: Base-Base interactions energy: -384.262 where: short stacking energy: -201.548 Base-Backbone interact. energy: -0.951 local terms energy: -263.640601 where: bonds (distance) C4'-P energy: -67.238 bonds (distance) P-C4' energy: -55.806 flat angles C4'-P-C4' energy: -67.529 flat angles P-C4'-P energy: -38.707 tors. eta vs tors. theta energy: -34.360 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: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -504.632347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.632347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.632347 (E_RNA) where: Base-Base interactions energy: -277.121 where: short stacking energy: -138.084 Base-Backbone interact. energy: -2.587 local terms energy: -224.924370 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -59.775 flat angles C4'-P-C4' energy: -56.314 flat angles P-C4'-P energy: -35.199 tors. eta vs tors. theta energy: -18.346 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: 4 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1285.155551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.155551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.155551 (E_RNA) where: Base-Base interactions energy: -910.259 where: short stacking energy: -384.176 Base-Backbone interact. energy: 0.218 local terms energy: -375.114606 where: bonds (distance) C4'-P energy: -76.370 bonds (distance) P-C4' energy: -68.825 flat angles C4'-P-C4' energy: -73.519 flat angles P-C4'-P energy: -51.182 tors. eta vs tors. theta energy: -105.218 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: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1260.821455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.821455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.821455 (E_RNA) where: Base-Base interactions energy: -907.527 where: short stacking energy: -373.539 Base-Backbone interact. energy: 0.924 local terms energy: -354.218210 where: bonds (distance) C4'-P energy: -62.648 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -58.690 tors. eta vs tors. theta energy: -95.007 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: 127 Temperature: 1.000000 Total energy: -1187.927005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.927005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.927005 (E_RNA) where: Base-Base interactions energy: -823.888 where: short stacking energy: -354.718 Base-Backbone interact. energy: -2.052 local terms energy: -361.987465 where: bonds (distance) C4'-P energy: -67.585 bonds (distance) P-C4' energy: -76.412 flat angles C4'-P-C4' energy: -73.504 flat angles P-C4'-P energy: -52.757 tors. eta vs tors. theta energy: -91.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1167.422720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.422720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.422720 (E_RNA) where: Base-Base interactions energy: -857.410 where: short stacking energy: -326.145 Base-Backbone interact. energy: -3.052 local terms energy: -306.961161 where: bonds (distance) C4'-P energy: -58.637 bonds (distance) P-C4' energy: -60.927 flat angles C4'-P-C4' energy: -66.268 flat angles P-C4'-P energy: -45.922 tors. eta vs tors. theta energy: -75.207 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: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1103.766920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.766920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.766920 (E_RNA) where: Base-Base interactions energy: -789.318 where: short stacking energy: -331.679 Base-Backbone interact. energy: -0.580 local terms energy: -313.869334 where: bonds (distance) C4'-P energy: -48.061 bonds (distance) P-C4' energy: -61.681 flat angles C4'-P-C4' energy: -75.459 flat angles P-C4'-P energy: -44.722 tors. eta vs tors. theta energy: -83.946 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: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -957.365589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.365589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.365589 (E_RNA) where: Base-Base interactions energy: -654.632 where: short stacking energy: -283.739 Base-Backbone interact. energy: -0.699 local terms energy: -302.035136 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -63.218 flat angles C4'-P-C4' energy: -65.312 flat angles P-C4'-P energy: -41.580 tors. eta vs tors. theta energy: -75.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -945.929190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.929190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.929190 (E_RNA) where: Base-Base interactions energy: -640.837 where: short stacking energy: -277.957 Base-Backbone interact. energy: -2.144 local terms energy: -302.948555 where: bonds (distance) C4'-P energy: -63.145 bonds (distance) P-C4' energy: -66.025 flat angles C4'-P-C4' energy: -75.863 flat angles P-C4'-P energy: -28.088 tors. eta vs tors. theta energy: -69.829 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: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -874.538068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.538068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.538068 (E_RNA) where: Base-Base interactions energy: -590.605 where: short stacking energy: -243.335 Base-Backbone interact. energy: -2.181 local terms energy: -281.752060 where: bonds (distance) C4'-P energy: -52.678 bonds (distance) P-C4' energy: -58.512 flat angles C4'-P-C4' energy: -54.915 flat angles P-C4'-P energy: -48.688 tors. eta vs tors. theta energy: -66.960 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: 127 Temperature: 1.300000 Total energy: -694.139287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.139287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.139287 (E_RNA) where: Base-Base interactions energy: -438.038 where: short stacking energy: -227.943 Base-Backbone interact. energy: 1.300 local terms energy: -257.401021 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -53.191 flat angles C4'-P-C4' energy: -58.978 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -56.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -539.374995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.374995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.374995 (E_RNA) where: Base-Base interactions energy: -339.865 where: short stacking energy: -150.377 Base-Backbone interact. energy: 2.701 local terms energy: -202.211323 where: bonds (distance) C4'-P energy: -52.625 bonds (distance) P-C4' energy: -49.486 flat angles C4'-P-C4' energy: -46.761 flat angles P-C4'-P energy: -24.934 tors. eta vs tors. theta energy: -28.404 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: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1294.323697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.323697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.323697 (E_RNA) where: Base-Base interactions energy: -927.001 where: short stacking energy: -375.127 Base-Backbone interact. energy: -1.127 local terms energy: -366.195278 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -65.099 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -54.957 tors. eta vs tors. theta energy: -102.642 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: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1258.984760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.984760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.984760 (E_RNA) where: Base-Base interactions energy: -886.629 where: short stacking energy: -368.882 Base-Backbone interact. energy: -0.230 local terms energy: -372.126574 where: bonds (distance) C4'-P energy: -53.209 bonds (distance) P-C4' energy: -77.687 flat angles C4'-P-C4' energy: -83.753 flat angles P-C4'-P energy: -52.465 tors. eta vs tors. theta energy: -105.012 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: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1208.741394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.741394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.741394 (E_RNA) where: Base-Base interactions energy: -865.552 where: short stacking energy: -337.224 Base-Backbone interact. energy: 0.944 local terms energy: -344.133839 where: bonds (distance) C4'-P energy: -68.539 bonds (distance) P-C4' energy: -69.334 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -86.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1155.093019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.093019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.093019 (E_RNA) where: Base-Base interactions energy: -813.417 where: short stacking energy: -328.158 Base-Backbone interact. energy: -1.144 local terms energy: -340.532474 where: bonds (distance) C4'-P energy: -63.438 bonds (distance) P-C4' energy: -55.510 flat angles C4'-P-C4' energy: -75.561 flat angles P-C4'-P energy: -48.038 tors. eta vs tors. theta energy: -97.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1081.809609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.809609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.809609 (E_RNA) where: Base-Base interactions energy: -771.832 where: short stacking energy: -319.652 Base-Backbone interact. energy: -1.100 local terms energy: -308.877990 where: bonds (distance) C4'-P energy: -56.449 bonds (distance) P-C4' energy: -54.554 flat angles C4'-P-C4' energy: -71.499 flat angles P-C4'-P energy: -43.083 tors. eta vs tors. theta energy: -83.293 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -930.444730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.444730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.444730 (E_RNA) where: Base-Base interactions energy: -622.315 where: short stacking energy: -257.094 Base-Backbone interact. energy: -1.502 local terms energy: -306.628007 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -65.832 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -55.544 tors. eta vs tors. theta energy: -54.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -943.737516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.737516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.737516 (E_RNA) where: Base-Base interactions energy: -626.193 where: short stacking energy: -279.415 Base-Backbone interact. energy: -1.255 local terms energy: -316.290011 where: bonds (distance) C4'-P energy: -56.509 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -48.435 tors. eta vs tors. theta energy: -71.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -888.436664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.436664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.436664 (E_RNA) where: Base-Base interactions energy: -649.944 where: short stacking energy: -271.255 Base-Backbone interact. energy: -0.808 local terms energy: -237.684041 where: bonds (distance) C4'-P energy: -62.646 bonds (distance) P-C4' energy: -56.511 flat angles C4'-P-C4' energy: -49.144 flat angles P-C4'-P energy: -17.491 tors. eta vs tors. theta energy: -51.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -613.314897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.314897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.314897 (E_RNA) where: Base-Base interactions energy: -370.796 where: short stacking energy: -195.622 Base-Backbone interact. energy: 2.509 local terms energy: -245.028241 where: bonds (distance) C4'-P energy: -50.403 bonds (distance) P-C4' energy: -52.047 flat angles C4'-P-C4' energy: -77.902 flat angles P-C4'-P energy: -35.694 tors. eta vs tors. theta energy: -28.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -535.719451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.719451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.719451 (E_RNA) where: Base-Base interactions energy: -323.278 where: short stacking energy: -155.470 Base-Backbone interact. energy: 3.946 local terms energy: -216.387840 where: bonds (distance) C4'-P energy: -40.403 bonds (distance) P-C4' energy: -68.533 flat angles C4'-P-C4' energy: -55.619 flat angles P-C4'-P energy: -39.436 tors. eta vs tors. theta energy: -12.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1297.669122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.669122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.669122 (E_RNA) where: Base-Base interactions energy: -935.822 where: short stacking energy: -369.499 Base-Backbone interact. energy: -2.263 local terms energy: -359.583978 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -73.282 flat angles C4'-P-C4' energy: -74.974 flat angles P-C4'-P energy: -41.134 tors. eta vs tors. theta energy: -93.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1257.579856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.579856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.579856 (E_RNA) where: Base-Base interactions energy: -885.481 where: short stacking energy: -370.415 Base-Backbone interact. energy: -1.383 local terms energy: -370.716002 where: bonds (distance) C4'-P energy: -69.626 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -73.008 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -104.044 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: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1160.673775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.673775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.673775 (E_RNA) where: Base-Base interactions energy: -828.351 where: short stacking energy: -317.467 Base-Backbone interact. energy: -0.726 local terms energy: -331.597420 where: bonds (distance) C4'-P energy: -59.781 bonds (distance) P-C4' energy: -71.692 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: -76.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1174.584353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.584353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.584353 (E_RNA) where: Base-Base interactions energy: -806.522 where: short stacking energy: -331.561 Base-Backbone interact. energy: -1.722 local terms energy: -366.339984 where: bonds (distance) C4'-P energy: -71.337 bonds (distance) P-C4' energy: -70.937 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -53.455 tors. eta vs tors. theta energy: -99.422 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: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1089.841352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.841352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.841352 (E_RNA) where: Base-Base interactions energy: -756.021 where: short stacking energy: -313.667 Base-Backbone interact. energy: -1.832 local terms energy: -331.988492 where: bonds (distance) C4'-P energy: -62.870 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -92.217 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: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -976.499077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.499077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.499077 (E_RNA) where: Base-Base interactions energy: -673.689 where: short stacking energy: -280.512 Base-Backbone interact. energy: -1.016 local terms energy: -301.793823 where: bonds (distance) C4'-P energy: -55.982 bonds (distance) P-C4' energy: -50.546 flat angles C4'-P-C4' energy: -74.854 flat angles P-C4'-P energy: -49.242 tors. eta vs tors. theta energy: -71.169 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: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -916.430080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.430080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.430080 (E_RNA) where: Base-Base interactions energy: -629.266 where: short stacking energy: -306.679 Base-Backbone interact. energy: 0.215 local terms energy: -287.379520 where: bonds (distance) C4'-P energy: -60.279 bonds (distance) P-C4' energy: -47.485 flat angles C4'-P-C4' energy: -71.753 flat angles P-C4'-P energy: -37.754 tors. eta vs tors. theta energy: -70.109 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: 10 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -890.842882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.842882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.842882 (E_RNA) where: Base-Base interactions energy: -604.907 where: short stacking energy: -258.816 Base-Backbone interact. energy: 1.671 local terms energy: -287.606893 where: bonds (distance) C4'-P energy: -56.318 bonds (distance) P-C4' energy: -64.856 flat angles C4'-P-C4' energy: -59.266 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -61.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -628.914083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.914083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.914083 (E_RNA) where: Base-Base interactions energy: -400.968 where: short stacking energy: -202.714 Base-Backbone interact. energy: -2.560 local terms energy: -225.386384 where: bonds (distance) C4'-P energy: -49.783 bonds (distance) P-C4' energy: -57.822 flat angles C4'-P-C4' energy: -51.845 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -29.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -488.241291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.241291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.241291 (E_RNA) where: Base-Base interactions energy: -279.492 where: short stacking energy: -140.841 Base-Backbone interact. energy: 0.559 local terms energy: -209.307734 where: bonds (distance) C4'-P energy: -63.539 bonds (distance) P-C4' energy: -42.551 flat angles C4'-P-C4' energy: -61.634 flat angles P-C4'-P energy: -19.696 tors. eta vs tors. theta energy: -21.887 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: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1273.841651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.841651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.841651 (E_RNA) where: Base-Base interactions energy: -914.351 where: short stacking energy: -373.478 Base-Backbone interact. energy: 3.271 local terms energy: -362.761435 where: bonds (distance) C4'-P energy: -68.855 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -75.975 flat angles P-C4'-P energy: -54.495 tors. eta vs tors. theta energy: -92.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1267.057413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.057413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.057413 (E_RNA) where: Base-Base interactions energy: -904.274 where: short stacking energy: -379.782 Base-Backbone interact. energy: -0.461 local terms energy: -362.322116 where: bonds (distance) C4'-P energy: -59.641 bonds (distance) P-C4' energy: -74.528 flat angles C4'-P-C4' energy: -77.490 flat angles P-C4'-P energy: -48.777 tors. eta vs tors. theta energy: -101.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1201.207412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.207412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.207412 (E_RNA) where: Base-Base interactions energy: -863.866 where: short stacking energy: -364.067 Base-Backbone interact. energy: 0.155 local terms energy: -337.496044 where: bonds (distance) C4'-P energy: -61.866 bonds (distance) P-C4' energy: -67.932 flat angles C4'-P-C4' energy: -68.492 flat angles P-C4'-P energy: -42.364 tors. eta vs tors. theta energy: -96.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1139.092239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.092239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.092239 (E_RNA) where: Base-Base interactions energy: -811.707 where: short stacking energy: -313.517 Base-Backbone interact. energy: 1.368 local terms energy: -328.753064 where: bonds (distance) C4'-P energy: -69.030 bonds (distance) P-C4' energy: -80.912 flat angles C4'-P-C4' energy: -71.807 flat angles P-C4'-P energy: -36.654 tors. eta vs tors. theta energy: -70.350 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: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1123.857051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.857051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.857051 (E_RNA) where: Base-Base interactions energy: -805.850 where: short stacking energy: -319.673 Base-Backbone interact. energy: 0.001 local terms energy: -318.008236 where: bonds (distance) C4'-P energy: -55.373 bonds (distance) P-C4' energy: -63.779 flat angles C4'-P-C4' energy: -67.391 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -83.037 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: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -982.045115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.045115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.045115 (E_RNA) where: Base-Base interactions energy: -680.456 where: short stacking energy: -285.436 Base-Backbone interact. energy: 0.479 local terms energy: -302.068086 where: bonds (distance) C4'-P energy: -67.250 bonds (distance) P-C4' energy: -59.830 flat angles C4'-P-C4' energy: -63.179 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -66.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -950.447157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.447157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.447157 (E_RNA) where: Base-Base interactions energy: -624.867 where: short stacking energy: -293.770 Base-Backbone interact. energy: -1.582 local terms energy: -323.997903 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -58.290 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -88.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -886.287326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.287326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.287326 (E_RNA) where: Base-Base interactions energy: -603.354 where: short stacking energy: -256.755 Base-Backbone interact. energy: -1.233 local terms energy: -281.700515 where: bonds (distance) C4'-P energy: -50.801 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -63.528 flat angles P-C4'-P energy: -37.786 tors. eta vs tors. theta energy: -65.596 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: 9, replica: 1 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -626.822495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.822495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.822495 (E_RNA) where: Base-Base interactions energy: -373.875 where: short stacking energy: -191.883 Base-Backbone interact. energy: 2.057 local terms energy: -255.005403 where: bonds (distance) C4'-P energy: -46.094 bonds (distance) P-C4' energy: -71.790 flat angles C4'-P-C4' energy: -60.991 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -31.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -527.889942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.889942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.889942 (E_RNA) where: Base-Base interactions energy: -316.957 where: short stacking energy: -160.660 Base-Backbone interact. energy: -1.918 local terms energy: -209.015064 where: bonds (distance) C4'-P energy: -51.482 bonds (distance) P-C4' energy: -55.019 flat angles C4'-P-C4' energy: -59.769 flat angles P-C4'-P energy: -30.707 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1282.426817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.426817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.426817 (E_RNA) where: Base-Base interactions energy: -916.622 where: short stacking energy: -379.245 Base-Backbone interact. energy: -2.437 local terms energy: -363.368175 where: bonds (distance) C4'-P energy: -62.777 bonds (distance) P-C4' energy: -74.932 flat angles C4'-P-C4' energy: -79.278 flat angles P-C4'-P energy: -51.515 tors. eta vs tors. theta energy: -94.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1261.111603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.111603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.111603 (E_RNA) where: Base-Base interactions energy: -881.866 where: short stacking energy: -372.675 Base-Backbone interact. energy: -1.061 local terms energy: -378.183839 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -77.888 flat angles C4'-P-C4' energy: -80.343 flat angles P-C4'-P energy: -56.768 tors. eta vs tors. theta energy: -104.504 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: 131 Temperature: 1.000000 Total energy: -1181.428509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.428509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.428509 (E_RNA) where: Base-Base interactions energy: -843.392 where: short stacking energy: -359.741 Base-Backbone interact. energy: -1.298 local terms energy: -336.738978 where: bonds (distance) C4'-P energy: -54.471 bonds (distance) P-C4' energy: -63.228 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: -96.816 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: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1108.233488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.233488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.233488 (E_RNA) where: Base-Base interactions energy: -775.635 where: short stacking energy: -314.867 Base-Backbone interact. energy: 0.612 local terms energy: -333.210377 where: bonds (distance) C4'-P energy: -66.082 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -75.472 flat angles P-C4'-P energy: -50.281 tors. eta vs tors. theta energy: -85.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1069.721164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.721164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.721164 (E_RNA) where: Base-Base interactions energy: -768.994 where: short stacking energy: -311.056 Base-Backbone interact. energy: -1.246 local terms energy: -299.480915 where: bonds (distance) C4'-P energy: -55.766 bonds (distance) P-C4' energy: -54.996 flat angles C4'-P-C4' energy: -77.862 flat angles P-C4'-P energy: -37.887 tors. eta vs tors. theta energy: -72.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -968.699652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.699652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.699652 (E_RNA) where: Base-Base interactions energy: -652.894 where: short stacking energy: -281.694 Base-Backbone interact. energy: -0.028 local terms energy: -315.777827 where: bonds (distance) C4'-P energy: -60.479 bonds (distance) P-C4' energy: -77.600 flat angles C4'-P-C4' energy: -57.939 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -76.417 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: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -925.826001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.826001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.826001 (E_RNA) where: Base-Base interactions energy: -604.638 where: short stacking energy: -273.794 Base-Backbone interact. energy: -0.334 local terms energy: -320.853866 where: bonds (distance) C4'-P energy: -52.073 bonds (distance) P-C4' energy: -64.988 flat angles C4'-P-C4' energy: -76.673 flat angles P-C4'-P energy: -47.392 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -882.896174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.896174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.896174 (E_RNA) where: Base-Base interactions energy: -602.111 where: short stacking energy: -249.669 Base-Backbone interact. energy: -1.016 local terms energy: -279.769427 where: bonds (distance) C4'-P energy: -63.176 bonds (distance) P-C4' energy: -60.837 flat angles C4'-P-C4' energy: -58.014 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -52.924 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: 9, replica: 1 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -592.522037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.522037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.522037 (E_RNA) where: Base-Base interactions energy: -356.877 where: short stacking energy: -180.548 Base-Backbone interact. energy: -1.469 local terms energy: -234.176265 where: bonds (distance) C4'-P energy: -64.527 bonds (distance) P-C4' energy: -56.509 flat angles C4'-P-C4' energy: -52.157 flat angles P-C4'-P energy: -37.005 tors. eta vs tors. theta energy: -23.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -551.703973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.703973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.703973 (E_RNA) where: Base-Base interactions energy: -322.959 where: short stacking energy: -158.106 Base-Backbone interact. energy: 1.568 local terms energy: -230.312273 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -53.208 flat angles P-C4'-P energy: -35.081 tors. eta vs tors. theta energy: -23.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1274.627796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.627796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.627796 (E_RNA) where: Base-Base interactions energy: -917.590 where: short stacking energy: -371.535 Base-Backbone interact. energy: -1.326 local terms energy: -355.711642 where: bonds (distance) C4'-P energy: -71.752 bonds (distance) P-C4' energy: -60.468 flat angles C4'-P-C4' energy: -79.977 flat angles P-C4'-P energy: -47.172 tors. eta vs tors. theta energy: -96.343 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: 132 Temperature: 0.950000 Total energy: -1257.234834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.234834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.234834 (E_RNA) where: Base-Base interactions energy: -896.695 where: short stacking energy: -379.749 Base-Backbone interact. energy: -1.666 local terms energy: -358.873279 where: bonds (distance) C4'-P energy: -67.041 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -76.662 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -105.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1188.574123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.574123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.574123 (E_RNA) where: Base-Base interactions energy: -836.136 where: short stacking energy: -362.074 Base-Backbone interact. energy: -0.829 local terms energy: -351.609468 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -68.481 flat angles P-C4'-P energy: -49.217 tors. eta vs tors. theta energy: -103.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1090.627939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.627939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.627939 (E_RNA) where: Base-Base interactions energy: -754.311 where: short stacking energy: -324.052 Base-Backbone interact. energy: -1.810 local terms energy: -334.507313 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -65.750 flat angles P-C4'-P energy: -44.436 tors. eta vs tors. theta energy: -91.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1077.664746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.664746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.664746 (E_RNA) where: Base-Base interactions energy: -770.331 where: short stacking energy: -303.416 Base-Backbone interact. energy: -2.087 local terms energy: -305.246578 where: bonds (distance) C4'-P energy: -63.819 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -72.324 flat angles P-C4'-P energy: -38.644 tors. eta vs tors. theta energy: -73.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -980.108300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.108300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.108300 (E_RNA) where: Base-Base interactions energy: -668.220 where: short stacking energy: -292.037 Base-Backbone interact. energy: -0.404 local terms energy: -311.483469 where: bonds (distance) C4'-P energy: -63.567 bonds (distance) P-C4' energy: -65.373 flat angles C4'-P-C4' energy: -73.330 flat angles P-C4'-P energy: -33.646 tors. eta vs tors. theta energy: -75.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -915.588920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.588920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.588920 (E_RNA) where: Base-Base interactions energy: -610.020 where: short stacking energy: -254.305 Base-Backbone interact. energy: 0.929 local terms energy: -306.497676 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -68.306 flat angles P-C4'-P energy: -51.052 tors. eta vs tors. theta energy: -59.414 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: 10 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -868.209820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.209820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.209820 (E_RNA) where: Base-Base interactions energy: -594.422 where: short stacking energy: -249.938 Base-Backbone interact. energy: -1.641 local terms energy: -272.146939 where: bonds (distance) C4'-P energy: -59.345 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -62.873 flat angles P-C4'-P energy: -30.915 tors. eta vs tors. theta energy: -57.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -567.220041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.220041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.220041 (E_RNA) where: Base-Base interactions energy: -355.393 where: short stacking energy: -173.963 Base-Backbone interact. energy: -1.507 local terms energy: -210.319500 where: bonds (distance) C4'-P energy: -62.047 bonds (distance) P-C4' energy: -41.997 flat angles C4'-P-C4' energy: -53.316 flat angles P-C4'-P energy: -27.005 tors. eta vs tors. theta energy: -25.954 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: 10, replica: 1 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -609.991182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.991182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.991182 (E_RNA) where: Base-Base interactions energy: -392.656 where: short stacking energy: -181.647 Base-Backbone interact. energy: 0.971 local terms energy: -218.306517 where: bonds (distance) C4'-P energy: -55.905 bonds (distance) P-C4' energy: -49.673 flat angles C4'-P-C4' energy: -55.634 flat angles P-C4'-P energy: -34.118 tors. eta vs tors. theta energy: -22.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1282.018056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.018056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.018056 (E_RNA) where: Base-Base interactions energy: -928.153 where: short stacking energy: -375.945 Base-Backbone interact. energy: -1.377 local terms energy: -352.487930 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -58.139 flat angles C4'-P-C4' energy: -79.483 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: -98.597 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: 9 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1240.396017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.396017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.396017 (E_RNA) where: Base-Base interactions energy: -862.480 where: short stacking energy: -367.023 Base-Backbone interact. energy: -1.020 local terms energy: -376.895284 where: bonds (distance) C4'-P energy: -73.320 bonds (distance) P-C4' energy: -72.039 flat angles C4'-P-C4' energy: -79.979 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -108.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1200.599087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.599087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.599087 (E_RNA) where: Base-Base interactions energy: -852.856 where: short stacking energy: -357.316 Base-Backbone interact. energy: -0.029 local terms energy: -347.714621 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -64.867 flat angles C4'-P-C4' energy: -75.624 flat angles P-C4'-P energy: -44.271 tors. eta vs tors. theta energy: -106.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1095.545628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.545628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.545628 (E_RNA) where: Base-Base interactions energy: -765.917 where: short stacking energy: -332.837 Base-Backbone interact. energy: -1.515 local terms energy: -328.113999 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -80.950 flat angles P-C4'-P energy: -35.373 tors. eta vs tors. theta energy: -91.156 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1082.440622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.440622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.440622 (E_RNA) where: Base-Base interactions energy: -764.396 where: short stacking energy: -297.589 Base-Backbone interact. energy: 0.345 local terms energy: -318.389016 where: bonds (distance) C4'-P energy: -57.816 bonds (distance) P-C4' energy: -66.007 flat angles C4'-P-C4' energy: -78.175 flat angles P-C4'-P energy: -39.724 tors. eta vs tors. theta energy: -76.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -955.201984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.201984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.201984 (E_RNA) where: Base-Base interactions energy: -627.267 where: short stacking energy: -283.316 Base-Backbone interact. energy: -0.250 local terms energy: -327.685518 where: bonds (distance) C4'-P energy: -61.016 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -72.229 flat angles P-C4'-P energy: -53.451 tors. eta vs tors. theta energy: -73.988 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: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -948.105971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.105971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.105971 (E_RNA) where: Base-Base interactions energy: -650.473 where: short stacking energy: -289.791 Base-Backbone interact. energy: -3.093 local terms energy: -294.540197 where: bonds (distance) C4'-P energy: -60.972 bonds (distance) P-C4' energy: -63.044 flat angles C4'-P-C4' energy: -59.211 flat angles P-C4'-P energy: -39.446 tors. eta vs tors. theta energy: -71.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -874.026385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.026385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.026385 (E_RNA) where: Base-Base interactions energy: -588.955 where: short stacking energy: -271.268 Base-Backbone interact. energy: 0.216 local terms energy: -285.288114 where: bonds (distance) C4'-P energy: -47.982 bonds (distance) P-C4' energy: -65.640 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -43.163 tors. eta vs tors. theta energy: -62.887 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: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -567.889887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.889887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.889887 (E_RNA) where: Base-Base interactions energy: -333.557 where: short stacking energy: -152.436 Base-Backbone interact. energy: 1.823 local terms energy: -236.156330 where: bonds (distance) C4'-P energy: -58.709 bonds (distance) P-C4' energy: -63.306 flat angles C4'-P-C4' energy: -56.980 flat angles P-C4'-P energy: -31.212 tors. eta vs tors. theta energy: -25.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -577.895377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.895377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.895377 (E_RNA) where: Base-Base interactions energy: -322.497 where: short stacking energy: -153.743 Base-Backbone interact. energy: -2.242 local terms energy: -253.155811 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -70.912 flat angles C4'-P-C4' energy: -73.892 flat angles P-C4'-P energy: -27.116 tors. eta vs tors. theta energy: -13.858 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: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1281.105962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.105962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.105962 (E_RNA) where: Base-Base interactions energy: -924.656 where: short stacking energy: -370.823 Base-Backbone interact. energy: 2.117 local terms energy: -358.566710 where: bonds (distance) C4'-P energy: -67.750 bonds (distance) P-C4' energy: -69.204 flat angles C4'-P-C4' energy: -81.218 flat angles P-C4'-P energy: -48.175 tors. eta vs tors. theta energy: -92.220 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: 2, replica: 9 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1207.625433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.625433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.625433 (E_RNA) where: Base-Base interactions energy: -838.682 where: short stacking energy: -359.533 Base-Backbone interact. energy: 0.150 local terms energy: -369.093824 where: bonds (distance) C4'-P energy: -73.920 bonds (distance) P-C4' energy: -73.680 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -57.318 tors. eta vs tors. theta energy: -93.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1206.401601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.401601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.401601 (E_RNA) where: Base-Base interactions energy: -847.429 where: short stacking energy: -356.841 Base-Backbone interact. energy: 4.942 local terms energy: -363.915331 where: bonds (distance) C4'-P energy: -61.021 bonds (distance) P-C4' energy: -75.361 flat angles C4'-P-C4' energy: -82.033 flat angles P-C4'-P energy: -47.465 tors. eta vs tors. theta energy: -98.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1080.340020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.340020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.340020 (E_RNA) where: Base-Base interactions energy: -755.731 where: short stacking energy: -329.026 Base-Backbone interact. energy: -1.085 local terms energy: -323.523770 where: bonds (distance) C4'-P energy: -58.664 bonds (distance) P-C4' energy: -49.526 flat angles C4'-P-C4' energy: -78.247 flat angles P-C4'-P energy: -53.941 tors. eta vs tors. theta energy: -83.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1078.605367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.605367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.605367 (E_RNA) where: Base-Base interactions energy: -782.824 where: short stacking energy: -311.029 Base-Backbone interact. energy: 3.927 local terms energy: -299.708605 where: bonds (distance) C4'-P energy: -65.452 bonds (distance) P-C4' energy: -50.849 flat angles C4'-P-C4' energy: -66.760 flat angles P-C4'-P energy: -44.756 tors. eta vs tors. theta energy: -71.891 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: 134 Temperature: 1.150000 Total energy: -980.932247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.932247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.932247 (E_RNA) where: Base-Base interactions energy: -653.896 where: short stacking energy: -290.115 Base-Backbone interact. energy: -0.333 local terms energy: -326.703126 where: bonds (distance) C4'-P energy: -58.448 bonds (distance) P-C4' energy: -54.163 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -83.451 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: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -881.002825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.002825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.002825 (E_RNA) where: Base-Base interactions energy: -626.013 where: short stacking energy: -258.531 Base-Backbone interact. energy: 2.376 local terms energy: -257.365592 where: bonds (distance) C4'-P energy: -38.898 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -64.683 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -56.316 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: 8, replica: 10 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -894.289598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.289598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.289598 (E_RNA) where: Base-Base interactions energy: -606.837 where: short stacking energy: -243.004 Base-Backbone interact. energy: -0.737 local terms energy: -286.716057 where: bonds (distance) C4'-P energy: -61.022 bonds (distance) P-C4' energy: -61.239 flat angles C4'-P-C4' energy: -65.383 flat angles P-C4'-P energy: -40.266 tors. eta vs tors. theta energy: -58.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -669.686321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.686321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.686321 (E_RNA) where: Base-Base interactions energy: -415.761 where: short stacking energy: -197.883 Base-Backbone interact. energy: -0.700 local terms energy: -253.225533 where: bonds (distance) C4'-P energy: -48.726 bonds (distance) P-C4' energy: -59.957 flat angles C4'-P-C4' energy: -66.180 flat angles P-C4'-P energy: -36.704 tors. eta vs tors. theta energy: -41.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -533.820238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.820238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.820238 (E_RNA) where: Base-Base interactions energy: -324.317 where: short stacking energy: -170.456 Base-Backbone interact. energy: 0.209 local terms energy: -209.711595 where: bonds (distance) C4'-P energy: -52.032 bonds (distance) P-C4' energy: -53.698 flat angles C4'-P-C4' energy: -46.468 flat angles P-C4'-P energy: -28.406 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: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1279.626896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.626896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.626896 (E_RNA) where: Base-Base interactions energy: -908.357 where: short stacking energy: -370.822 Base-Backbone interact. energy: -1.795 local terms energy: -369.474802 where: bonds (distance) C4'-P energy: -66.458 bonds (distance) P-C4' energy: -71.865 flat angles C4'-P-C4' energy: -86.714 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: -103.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1256.751602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.751602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.751602 (E_RNA) where: Base-Base interactions energy: -883.807 where: short stacking energy: -387.201 Base-Backbone interact. energy: -0.427 local terms energy: -372.518340 where: bonds (distance) C4'-P energy: -74.821 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -76.361 flat angles P-C4'-P energy: -47.458 tors. eta vs tors. theta energy: -111.931 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: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1235.459039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.459039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.459039 (E_RNA) where: Base-Base interactions energy: -872.633 where: short stacking energy: -370.312 Base-Backbone interact. energy: -1.918 local terms energy: -360.908150 where: bonds (distance) C4'-P energy: -66.594 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -75.380 flat angles P-C4'-P energy: -54.381 tors. eta vs tors. theta energy: -97.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1111.056954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.056954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.056954 (E_RNA) where: Base-Base interactions energy: -764.550 where: short stacking energy: -309.169 Base-Backbone interact. energy: -3.541 local terms energy: -342.966540 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -68.489 flat angles C4'-P-C4' energy: -71.974 flat angles P-C4'-P energy: -49.167 tors. eta vs tors. theta energy: -88.223 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: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1123.731084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.731084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.731084 (E_RNA) where: Base-Base interactions energy: -818.114 where: short stacking energy: -318.449 Base-Backbone interact. energy: -1.356 local terms energy: -304.261578 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -62.402 flat angles C4'-P-C4' energy: -70.867 flat angles P-C4'-P energy: -38.346 tors. eta vs tors. theta energy: -75.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -943.753462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.753462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.753462 (E_RNA) where: Base-Base interactions energy: -638.099 where: short stacking energy: -275.414 Base-Backbone interact. energy: -2.007 local terms energy: -303.647070 where: bonds (distance) C4'-P energy: -62.364 bonds (distance) P-C4' energy: -61.799 flat angles C4'-P-C4' energy: -60.046 flat angles P-C4'-P energy: -41.892 tors. eta vs tors. theta energy: -77.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -933.398573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.398573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.398573 (E_RNA) where: Base-Base interactions energy: -628.631 where: short stacking energy: -275.614 Base-Backbone interact. energy: 0.782 local terms energy: -305.549345 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -73.251 flat angles P-C4'-P energy: -53.462 tors. eta vs tors. theta energy: -62.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -870.210086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.210086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.210086 (E_RNA) where: Base-Base interactions energy: -596.839 where: short stacking energy: -263.888 Base-Backbone interact. energy: 1.798 local terms energy: -275.168377 where: bonds (distance) C4'-P energy: -60.230 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -59.273 flat angles P-C4'-P energy: -31.237 tors. eta vs tors. theta energy: -61.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -653.239491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.239491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.239491 (E_RNA) where: Base-Base interactions energy: -410.532 where: short stacking energy: -182.010 Base-Backbone interact. energy: -1.273 local terms energy: -241.434487 where: bonds (distance) C4'-P energy: -47.961 bonds (distance) P-C4' energy: -69.360 flat angles C4'-P-C4' energy: -58.907 flat angles P-C4'-P energy: -40.370 tors. eta vs tors. theta energy: -24.837 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: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -469.064944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.064944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.064944 (E_RNA) where: Base-Base interactions energy: -261.880 where: short stacking energy: -145.291 Base-Backbone interact. energy: -1.939 local terms energy: -205.245479 where: bonds (distance) C4'-P energy: -61.624 bonds (distance) P-C4' energy: -41.665 flat angles C4'-P-C4' energy: -60.548 flat angles P-C4'-P energy: -31.739 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1276.196421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.196421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.196421 (E_RNA) where: Base-Base interactions energy: -888.681 where: short stacking energy: -386.767 Base-Backbone interact. energy: -0.090 local terms energy: -387.425659 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -84.234 flat angles P-C4'-P energy: -53.797 tors. eta vs tors. theta energy: -115.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1259.580072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.580072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.580072 (E_RNA) where: Base-Base interactions energy: -908.281 where: short stacking energy: -374.534 Base-Backbone interact. energy: -2.077 local terms energy: -349.221433 where: bonds (distance) C4'-P energy: -72.284 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -77.941 flat angles P-C4'-P energy: -52.923 tors. eta vs tors. theta energy: -85.691 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: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1245.849647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.849647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.849647 (E_RNA) where: Base-Base interactions energy: -875.955 where: short stacking energy: -382.727 Base-Backbone interact. energy: 0.002 local terms energy: -369.897488 where: bonds (distance) C4'-P energy: -77.393 bonds (distance) P-C4' energy: -67.016 flat angles C4'-P-C4' energy: -72.099 flat angles P-C4'-P energy: -47.374 tors. eta vs tors. theta energy: -106.016 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: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1097.541681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.541681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.541681 (E_RNA) where: Base-Base interactions energy: -765.496 where: short stacking energy: -332.410 Base-Backbone interact. energy: 0.578 local terms energy: -332.623732 where: bonds (distance) C4'-P energy: -66.024 bonds (distance) P-C4' energy: -61.307 flat angles C4'-P-C4' energy: -70.777 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -86.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1107.432223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.432223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.432223 (E_RNA) where: Base-Base interactions energy: -792.824 where: short stacking energy: -303.945 Base-Backbone interact. energy: -1.469 local terms energy: -313.139884 where: bonds (distance) C4'-P energy: -64.831 bonds (distance) P-C4' energy: -68.125 flat angles C4'-P-C4' energy: -62.116 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -73.705 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: 136 Temperature: 1.150000 Total energy: -952.980783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.980783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.980783 (E_RNA) where: Base-Base interactions energy: -642.698 where: short stacking energy: -294.522 Base-Backbone interact. energy: -1.559 local terms energy: -308.723360 where: bonds (distance) C4'-P energy: -57.738 bonds (distance) P-C4' energy: -64.074 flat angles C4'-P-C4' energy: -63.756 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -77.380 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: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -909.671321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.671321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.671321 (E_RNA) where: Base-Base interactions energy: -624.524 where: short stacking energy: -260.271 Base-Backbone interact. energy: -1.271 local terms energy: -283.876502 where: bonds (distance) C4'-P energy: -42.811 bonds (distance) P-C4' energy: -57.709 flat angles C4'-P-C4' energy: -78.878 flat angles P-C4'-P energy: -36.637 tors. eta vs tors. theta energy: -67.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -887.047856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.047856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.047856 (E_RNA) where: Base-Base interactions energy: -595.235 where: short stacking energy: -259.832 Base-Backbone interact. energy: -0.667 local terms energy: -291.146160 where: bonds (distance) C4'-P energy: -51.879 bonds (distance) P-C4' energy: -65.697 flat angles C4'-P-C4' energy: -79.483 flat angles P-C4'-P energy: -33.526 tors. eta vs tors. theta energy: -60.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -601.060443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.060443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.060443 (E_RNA) where: Base-Base interactions energy: -365.913 where: short stacking energy: -183.600 Base-Backbone interact. energy: -0.987 local terms energy: -234.160860 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -69.598 flat angles C4'-P-C4' energy: -55.498 flat angles P-C4'-P energy: -27.339 tors. eta vs tors. theta energy: -26.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -486.127921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.127921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.127921 (E_RNA) where: Base-Base interactions energy: -290.529 where: short stacking energy: -166.591 Base-Backbone interact. energy: -1.097 local terms energy: -194.501519 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -45.291 flat angles C4'-P-C4' energy: -56.389 flat angles P-C4'-P energy: -30.652 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1267.321555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.321555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.321555 (E_RNA) where: Base-Base interactions energy: -878.451 where: short stacking energy: -384.307 Base-Backbone interact. energy: -1.085 local terms energy: -387.785617 where: bonds (distance) C4'-P energy: -73.638 bonds (distance) P-C4' energy: -74.878 flat angles C4'-P-C4' energy: -74.838 flat angles P-C4'-P energy: -55.809 tors. eta vs tors. theta energy: -108.623 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: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1260.419862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.419862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.419862 (E_RNA) where: Base-Base interactions energy: -899.117 where: short stacking energy: -352.829 Base-Backbone interact. energy: -2.200 local terms energy: -359.103244 where: bonds (distance) C4'-P energy: -70.595 bonds (distance) P-C4' energy: -69.012 flat angles C4'-P-C4' energy: -73.142 flat angles P-C4'-P energy: -53.595 tors. eta vs tors. theta energy: -92.759 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: 137 Temperature: 1.000000 Total energy: -1229.440018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.440018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.440018 (E_RNA) where: Base-Base interactions energy: -856.262 where: short stacking energy: -349.995 Base-Backbone interact. energy: 0.574 local terms energy: -373.751723 where: bonds (distance) C4'-P energy: -76.665 bonds (distance) P-C4' energy: -62.302 flat angles C4'-P-C4' energy: -77.778 flat angles P-C4'-P energy: -49.320 tors. eta vs tors. theta energy: -107.687 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: 4, replica: 8 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1122.664958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.664958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.664958 (E_RNA) where: Base-Base interactions energy: -770.075 where: short stacking energy: -332.395 Base-Backbone interact. energy: -1.462 local terms energy: -351.128019 where: bonds (distance) C4'-P energy: -62.918 bonds (distance) P-C4' energy: -67.783 flat angles C4'-P-C4' energy: -75.089 flat angles P-C4'-P energy: -54.200 tors. eta vs tors. theta energy: -91.138 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: 137 Temperature: 1.100000 Total energy: -1084.846555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.846555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.846555 (E_RNA) where: Base-Base interactions energy: -776.572 where: short stacking energy: -305.630 Base-Backbone interact. energy: 3.323 local terms energy: -311.597281 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -60.715 flat angles C4'-P-C4' energy: -73.104 flat angles P-C4'-P energy: -46.356 tors. eta vs tors. theta energy: -70.552 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: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -939.981420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.981420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.981420 (E_RNA) where: Base-Base interactions energy: -636.474 where: short stacking energy: -267.613 Base-Backbone interact. energy: 0.483 local terms energy: -303.990452 where: bonds (distance) C4'-P energy: -61.799 bonds (distance) P-C4' energy: -58.787 flat angles C4'-P-C4' energy: -72.290 flat angles P-C4'-P energy: -45.165 tors. eta vs tors. theta energy: -65.950 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: 137 Temperature: 1.200000 Total energy: -918.865206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.865206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.865206 (E_RNA) where: Base-Base interactions energy: -619.198 where: short stacking energy: -273.994 Base-Backbone interact. energy: -0.974 local terms energy: -298.692420 where: bonds (distance) C4'-P energy: -43.964 bonds (distance) P-C4' energy: -68.891 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -50.285 tors. eta vs tors. theta energy: -71.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -907.903915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.903915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.903915 (E_RNA) where: Base-Base interactions energy: -628.836 where: short stacking energy: -264.776 Base-Backbone interact. energy: -1.497 local terms energy: -277.571607 where: bonds (distance) C4'-P energy: -55.028 bonds (distance) P-C4' energy: -54.339 flat angles C4'-P-C4' energy: -61.326 flat angles P-C4'-P energy: -48.303 tors. eta vs tors. theta energy: -58.576 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: 137 Temperature: 1.300000 Total energy: -599.436952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.436952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.436952 (E_RNA) where: Base-Base interactions energy: -350.859 where: short stacking energy: -182.448 Base-Backbone interact. energy: 0.435 local terms energy: -249.012194 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -68.210 flat angles C4'-P-C4' energy: -61.372 flat angles P-C4'-P energy: -22.952 tors. eta vs tors. theta energy: -34.030 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: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -503.294024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.294024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.294024 (E_RNA) where: Base-Base interactions energy: -305.394 where: short stacking energy: -150.240 Base-Backbone interact. energy: 3.518 local terms energy: -201.417701 where: bonds (distance) C4'-P energy: -58.050 bonds (distance) P-C4' energy: -50.252 flat angles C4'-P-C4' energy: -49.389 flat angles P-C4'-P energy: -28.921 tors. eta vs tors. theta energy: -14.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1293.354005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.354005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.354005 (E_RNA) where: Base-Base interactions energy: -920.809 where: short stacking energy: -374.677 Base-Backbone interact. energy: -2.346 local terms energy: -370.199616 where: bonds (distance) C4'-P energy: -75.627 bonds (distance) P-C4' energy: -71.989 flat angles C4'-P-C4' energy: -79.848 flat angles P-C4'-P energy: -50.998 tors. eta vs tors. theta energy: -91.738 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: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1239.053905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.053905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.053905 (E_RNA) where: Base-Base interactions energy: -866.704 where: short stacking energy: -375.090 Base-Backbone interact. energy: -0.773 local terms energy: -371.576519 where: bonds (distance) C4'-P energy: -60.934 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -77.575 flat angles P-C4'-P energy: -54.230 tors. eta vs tors. theta energy: -110.934 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: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1228.596898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.596898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.596898 (E_RNA) where: Base-Base interactions energy: -868.359 where: short stacking energy: -369.542 Base-Backbone interact. energy: -0.502 local terms energy: -359.735775 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -66.317 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -101.833 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: 8 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1111.968322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.968322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.968322 (E_RNA) where: Base-Base interactions energy: -790.920 where: short stacking energy: -351.270 Base-Backbone interact. energy: -1.420 local terms energy: -319.627909 where: bonds (distance) C4'-P energy: -53.693 bonds (distance) P-C4' energy: -58.156 flat angles C4'-P-C4' energy: -77.151 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -88.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1117.044742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.044742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.044742 (E_RNA) where: Base-Base interactions energy: -815.935 where: short stacking energy: -307.908 Base-Backbone interact. energy: 0.663 local terms energy: -301.772977 where: bonds (distance) C4'-P energy: -54.710 bonds (distance) P-C4' energy: -60.343 flat angles C4'-P-C4' energy: -67.408 flat angles P-C4'-P energy: -48.066 tors. eta vs tors. theta energy: -71.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -956.956964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.956964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.956964 (E_RNA) where: Base-Base interactions energy: -648.479 where: short stacking energy: -283.416 Base-Backbone interact. energy: 1.738 local terms energy: -310.215905 where: bonds (distance) C4'-P energy: -66.533 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -65.763 flat angles P-C4'-P energy: -47.876 tors. eta vs tors. theta energy: -66.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -897.128544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.128544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.128544 (E_RNA) where: Base-Base interactions energy: -619.237 where: short stacking energy: -277.324 Base-Backbone interact. energy: -0.977 local terms energy: -276.914387 where: bonds (distance) C4'-P energy: -59.086 bonds (distance) P-C4' energy: -67.752 flat angles C4'-P-C4' energy: -60.830 flat angles P-C4'-P energy: -28.812 tors. eta vs tors. theta energy: -60.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -903.528708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.528708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.528708 (E_RNA) where: Base-Base interactions energy: -609.870 where: short stacking energy: -258.483 Base-Backbone interact. energy: -1.109 local terms energy: -292.549185 where: bonds (distance) C4'-P energy: -49.822 bonds (distance) P-C4' energy: -65.367 flat angles C4'-P-C4' energy: -61.684 flat angles P-C4'-P energy: -47.171 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: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -618.254493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.254493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.254493 (E_RNA) where: Base-Base interactions energy: -400.944 where: short stacking energy: -191.750 Base-Backbone interact. energy: 6.764 local terms energy: -224.074983 where: bonds (distance) C4'-P energy: -67.059 bonds (distance) P-C4' energy: -55.215 flat angles C4'-P-C4' energy: -53.594 flat angles P-C4'-P energy: -20.731 tors. eta vs tors. theta energy: -27.476 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: 1 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -547.458140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.458140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.458140 (E_RNA) where: Base-Base interactions energy: -315.988 where: short stacking energy: -166.752 Base-Backbone interact. energy: -0.148 local terms energy: -231.322765 where: bonds (distance) C4'-P energy: -53.626 bonds (distance) P-C4' energy: -57.208 flat angles C4'-P-C4' energy: -62.809 flat angles P-C4'-P energy: -28.410 tors. eta vs tors. theta energy: -29.270 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: 1, replica: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1278.284420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.284420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.284420 (E_RNA) where: Base-Base interactions energy: -910.472 where: short stacking energy: -369.576 Base-Backbone interact. energy: -1.900 local terms energy: -365.911786 where: bonds (distance) C4'-P energy: -76.048 bonds (distance) P-C4' energy: -74.534 flat angles C4'-P-C4' energy: -78.525 flat angles P-C4'-P energy: -44.658 tors. eta vs tors. theta energy: -92.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1261.300596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.300596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.300596 (E_RNA) where: Base-Base interactions energy: -893.286 where: short stacking energy: -382.820 Base-Backbone interact. energy: 0.360 local terms energy: -368.374620 where: bonds (distance) C4'-P energy: -60.919 bonds (distance) P-C4' energy: -68.987 flat angles C4'-P-C4' energy: -81.270 flat angles P-C4'-P energy: -53.606 tors. eta vs tors. theta energy: -103.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1220.394793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.394793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.394793 (E_RNA) where: Base-Base interactions energy: -858.033 where: short stacking energy: -357.969 Base-Backbone interact. energy: -0.417 local terms energy: -361.945482 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -64.975 flat angles C4'-P-C4' energy: -77.615 flat angles P-C4'-P energy: -58.569 tors. eta vs tors. theta energy: -98.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1154.124507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.124507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.124507 (E_RNA) where: Base-Base interactions energy: -822.779 where: short stacking energy: -329.632 Base-Backbone interact. energy: -0.238 local terms energy: -331.107596 where: bonds (distance) C4'-P energy: -64.987 bonds (distance) P-C4' energy: -63.276 flat angles C4'-P-C4' energy: -68.590 flat angles P-C4'-P energy: -53.965 tors. eta vs tors. theta energy: -80.290 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: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1131.617523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.617523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.617523 (E_RNA) where: Base-Base interactions energy: -810.034 where: short stacking energy: -330.412 Base-Backbone interact. energy: 0.699 local terms energy: -322.283058 where: bonds (distance) C4'-P energy: -52.597 bonds (distance) P-C4' energy: -61.260 flat angles C4'-P-C4' energy: -81.367 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -84.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -936.414184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.414184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.414184 (E_RNA) where: Base-Base interactions energy: -642.164 where: short stacking energy: -272.340 Base-Backbone interact. energy: -1.371 local terms energy: -292.878625 where: bonds (distance) C4'-P energy: -54.657 bonds (distance) P-C4' energy: -66.486 flat angles C4'-P-C4' energy: -65.980 flat angles P-C4'-P energy: -33.867 tors. eta vs tors. theta energy: -71.889 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: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -945.787352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.787352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.787352 (E_RNA) where: Base-Base interactions energy: -651.020 where: short stacking energy: -286.246 Base-Backbone interact. energy: -1.189 local terms energy: -293.578446 where: bonds (distance) C4'-P energy: -55.419 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -64.290 flat angles P-C4'-P energy: -31.863 tors. eta vs tors. theta energy: -77.580 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: 139 Temperature: 1.250000 Total energy: -915.340258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.340258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.340258 (E_RNA) where: Base-Base interactions energy: -623.207 where: short stacking energy: -281.023 Base-Backbone interact. energy: -0.754 local terms energy: -291.380028 where: bonds (distance) C4'-P energy: -56.125 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -67.162 flat angles P-C4'-P energy: -35.016 tors. eta vs tors. theta energy: -70.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -625.361762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.361762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.361762 (E_RNA) where: Base-Base interactions energy: -385.200 where: short stacking energy: -187.649 Base-Backbone interact. energy: -0.381 local terms energy: -239.781246 where: bonds (distance) C4'-P energy: -52.401 bonds (distance) P-C4' energy: -55.269 flat angles C4'-P-C4' energy: -57.423 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -32.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -543.610132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.610132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.610132 (E_RNA) where: Base-Base interactions energy: -314.258 where: short stacking energy: -169.422 Base-Backbone interact. energy: -0.386 local terms energy: -228.965833 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -63.490 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -26.455 tors. eta vs tors. theta energy: -25.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1294.941951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.941951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.941951 (E_RNA) where: Base-Base interactions energy: -927.876 where: short stacking energy: -374.781 Base-Backbone interact. energy: -2.230 local terms energy: -364.835832 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -69.045 flat angles C4'-P-C4' energy: -79.765 flat angles P-C4'-P energy: -53.355 tors. eta vs tors. theta energy: -97.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1243.362996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.362996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.362996 (E_RNA) where: Base-Base interactions energy: -888.307 where: short stacking energy: -391.077 Base-Backbone interact. energy: -1.070 local terms energy: -353.986190 where: bonds (distance) C4'-P energy: -62.783 bonds (distance) P-C4' energy: -66.785 flat angles C4'-P-C4' energy: -73.112 flat angles P-C4'-P energy: -46.240 tors. eta vs tors. theta energy: -105.067 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: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1223.245438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.245438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.245438 (E_RNA) where: Base-Base interactions energy: -865.268 where: short stacking energy: -374.147 Base-Backbone interact. energy: 0.074 local terms energy: -358.050945 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -67.336 flat angles C4'-P-C4' energy: -70.976 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -105.632 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: 6 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1150.571447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.571447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.571447 (E_RNA) where: Base-Base interactions energy: -826.889 where: short stacking energy: -327.635 Base-Backbone interact. energy: 0.698 local terms energy: -324.380475 where: bonds (distance) C4'-P energy: -65.706 bonds (distance) P-C4' energy: -64.959 flat angles C4'-P-C4' energy: -74.228 flat angles P-C4'-P energy: -43.951 tors. eta vs tors. theta energy: -75.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1127.974836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.974836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.974836 (E_RNA) where: Base-Base interactions energy: -802.962 where: short stacking energy: -322.395 Base-Backbone interact. energy: -0.909 local terms energy: -324.103407 where: bonds (distance) C4'-P energy: -56.420 bonds (distance) P-C4' energy: -66.639 flat angles C4'-P-C4' energy: -72.454 flat angles P-C4'-P energy: -44.071 tors. eta vs tors. theta energy: -84.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -937.597309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.597309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.597309 (E_RNA) where: Base-Base interactions energy: -620.729 where: short stacking energy: -287.865 Base-Backbone interact. energy: 2.090 local terms energy: -318.958326 where: bonds (distance) C4'-P energy: -71.311 bonds (distance) P-C4' energy: -72.843 flat angles C4'-P-C4' energy: -61.090 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -62.432 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: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -927.946299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.946299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.946299 (E_RNA) where: Base-Base interactions energy: -625.227 where: short stacking energy: -251.742 Base-Backbone interact. energy: -0.306 local terms energy: -302.413839 where: bonds (distance) C4'-P energy: -64.283 bonds (distance) P-C4' energy: -61.468 flat angles C4'-P-C4' energy: -69.227 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: -66.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -791.591375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.591375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.591375 (E_RNA) where: Base-Base interactions energy: -516.677 where: short stacking energy: -238.369 Base-Backbone interact. energy: -0.744 local terms energy: -274.169674 where: bonds (distance) C4'-P energy: -52.610 bonds (distance) P-C4' energy: -66.438 flat angles C4'-P-C4' energy: -60.251 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -47.937 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: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -624.852162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.852162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.852162 (E_RNA) where: Base-Base interactions energy: -380.274 where: short stacking energy: -188.586 Base-Backbone interact. energy: -0.884 local terms energy: -243.694284 where: bonds (distance) C4'-P energy: -62.937 bonds (distance) P-C4' energy: -48.844 flat angles C4'-P-C4' energy: -58.768 flat angles P-C4'-P energy: -38.242 tors. eta vs tors. theta energy: -34.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -523.489178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.489178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.489178 (E_RNA) where: Base-Base interactions energy: -297.335 where: short stacking energy: -169.566 Base-Backbone interact. energy: -1.155 local terms energy: -224.999316 where: bonds (distance) C4'-P energy: -57.920 bonds (distance) P-C4' energy: -60.472 flat angles C4'-P-C4' energy: -52.882 flat angles P-C4'-P energy: -27.260 tors. eta vs tors. theta energy: -26.466 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: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1296.818442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.818442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.818442 (E_RNA) where: Base-Base interactions energy: -924.451 where: short stacking energy: -383.027 Base-Backbone interact. energy: -1.596 local terms energy: -370.772105 where: bonds (distance) C4'-P energy: -69.179 bonds (distance) P-C4' energy: -68.386 flat angles C4'-P-C4' energy: -80.985 flat angles P-C4'-P energy: -52.986 tors. eta vs tors. theta energy: -99.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1258.910068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.910068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.910068 (E_RNA) where: Base-Base interactions energy: -878.086 where: short stacking energy: -368.469 Base-Backbone interact. energy: -1.475 local terms energy: -379.349706 where: bonds (distance) C4'-P energy: -74.142 bonds (distance) P-C4' energy: -72.398 flat angles C4'-P-C4' energy: -76.156 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -102.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1238.117880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.117880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.117880 (E_RNA) where: Base-Base interactions energy: -867.424 where: short stacking energy: -369.766 Base-Backbone interact. energy: -1.641 local terms energy: -369.053037 where: bonds (distance) C4'-P energy: -64.779 bonds (distance) P-C4' energy: -65.817 flat angles C4'-P-C4' energy: -75.988 flat angles P-C4'-P energy: -57.244 tors. eta vs tors. theta energy: -105.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1118.586781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.586781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.586781 (E_RNA) where: Base-Base interactions energy: -788.138 where: short stacking energy: -326.083 Base-Backbone interact. energy: -1.031 local terms energy: -329.417613 where: bonds (distance) C4'-P energy: -57.514 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -74.299 flat angles P-C4'-P energy: -40.320 tors. eta vs tors. theta energy: -88.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1127.699936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.699936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.699936 (E_RNA) where: Base-Base interactions energy: -803.525 where: short stacking energy: -308.661 Base-Backbone interact. energy: -1.390 local terms energy: -322.784473 where: bonds (distance) C4'-P energy: -58.111 bonds (distance) P-C4' energy: -61.270 flat angles C4'-P-C4' energy: -83.057 flat angles P-C4'-P energy: -49.440 tors. eta vs tors. theta energy: -70.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -941.659289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.659289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.659289 (E_RNA) where: Base-Base interactions energy: -634.453 where: short stacking energy: -277.031 Base-Backbone interact. energy: 1.108 local terms energy: -308.313939 where: bonds (distance) C4'-P energy: -60.117 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -71.075 flat angles P-C4'-P energy: -52.063 tors. eta vs tors. theta energy: -61.811 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: 5 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -893.496850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.496850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.496850 (E_RNA) where: Base-Base interactions energy: -597.463 where: short stacking energy: -261.776 Base-Backbone interact. energy: 1.103 local terms energy: -297.136828 where: bonds (distance) C4'-P energy: -58.979 bonds (distance) P-C4' energy: -65.498 flat angles C4'-P-C4' energy: -73.854 flat angles P-C4'-P energy: -39.925 tors. eta vs tors. theta energy: -58.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -823.287879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.287879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.287879 (E_RNA) where: Base-Base interactions energy: -529.905 where: short stacking energy: -234.642 Base-Backbone interact. energy: -0.773 local terms energy: -292.610521 where: bonds (distance) C4'-P energy: -68.242 bonds (distance) P-C4' energy: -51.618 flat angles C4'-P-C4' energy: -69.411 flat angles P-C4'-P energy: -42.543 tors. eta vs tors. theta energy: -60.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -539.003437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.003437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.003437 (E_RNA) where: Base-Base interactions energy: -296.673 where: short stacking energy: -160.422 Base-Backbone interact. energy: 4.517 local terms energy: -246.846904 where: bonds (distance) C4'-P energy: -59.597 bonds (distance) P-C4' energy: -50.227 flat angles C4'-P-C4' energy: -76.219 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -24.291 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: 1 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -517.288397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.288397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.288397 (E_RNA) where: Base-Base interactions energy: -298.353 where: short stacking energy: -160.272 Base-Backbone interact. energy: -0.825 local terms energy: -218.110607 where: bonds (distance) C4'-P energy: -54.029 bonds (distance) P-C4' energy: -55.179 flat angles C4'-P-C4' energy: -46.437 flat angles P-C4'-P energy: -32.866 tors. eta vs tors. theta energy: -29.600 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: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1290.307661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.307661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.307661 (E_RNA) where: Base-Base interactions energy: -913.456 where: short stacking energy: -371.038 Base-Backbone interact. energy: -0.784 local terms energy: -376.067636 where: bonds (distance) C4'-P energy: -69.997 bonds (distance) P-C4' energy: -77.099 flat angles C4'-P-C4' energy: -74.302 flat angles P-C4'-P energy: -56.409 tors. eta vs tors. theta energy: -98.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1256.857527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.857527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.857527 (E_RNA) where: Base-Base interactions energy: -882.534 where: short stacking energy: -385.750 Base-Backbone interact. energy: -0.506 local terms energy: -373.816968 where: bonds (distance) C4'-P energy: -66.196 bonds (distance) P-C4' energy: -66.090 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -48.277 tors. eta vs tors. theta energy: -114.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1247.422915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.422915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.422915 (E_RNA) where: Base-Base interactions energy: -881.863 where: short stacking energy: -392.586 Base-Backbone interact. energy: -1.435 local terms energy: -364.124965 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -66.680 flat angles C4'-P-C4' energy: -85.442 flat angles P-C4'-P energy: -45.897 tors. eta vs tors. theta energy: -105.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1103.561432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.561432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.561432 (E_RNA) where: Base-Base interactions energy: -764.542 where: short stacking energy: -323.709 Base-Backbone interact. energy: 1.844 local terms energy: -340.863130 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -72.731 flat angles C4'-P-C4' energy: -75.993 flat angles P-C4'-P energy: -45.732 tors. eta vs tors. theta energy: -83.779 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: 5, replica: 6 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1100.370540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.370540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.370540 (E_RNA) where: Base-Base interactions energy: -780.530 where: short stacking energy: -320.244 Base-Backbone interact. energy: -1.235 local terms energy: -318.605817 where: bonds (distance) C4'-P energy: -69.248 bonds (distance) P-C4' energy: -56.815 flat angles C4'-P-C4' energy: -78.265 flat angles P-C4'-P energy: -36.410 tors. eta vs tors. theta energy: -77.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -957.517127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.517127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.517127 (E_RNA) where: Base-Base interactions energy: -651.601 where: short stacking energy: -282.730 Base-Backbone interact. energy: -1.116 local terms energy: -304.799707 where: bonds (distance) C4'-P energy: -64.638 bonds (distance) P-C4' energy: -53.538 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -74.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -904.878584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.878584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.878584 (E_RNA) where: Base-Base interactions energy: -607.532 where: short stacking energy: -272.207 Base-Backbone interact. energy: -1.220 local terms energy: -296.126769 where: bonds (distance) C4'-P energy: -55.431 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -69.577 flat angles P-C4'-P energy: -39.688 tors. eta vs tors. theta energy: -65.378 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: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -863.330614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.330614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.330614 (E_RNA) where: Base-Base interactions energy: -573.719 where: short stacking energy: -256.226 Base-Backbone interact. energy: 1.754 local terms energy: -291.365182 where: bonds (distance) C4'-P energy: -64.573 bonds (distance) P-C4' energy: -61.666 flat angles C4'-P-C4' energy: -64.344 flat angles P-C4'-P energy: -41.030 tors. eta vs tors. theta energy: -59.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -541.315514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.315514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.315514 (E_RNA) where: Base-Base interactions energy: -297.247 where: short stacking energy: -151.506 Base-Backbone interact. energy: 0.801 local terms energy: -244.869745 where: bonds (distance) C4'-P energy: -64.596 bonds (distance) P-C4' energy: -66.823 flat angles C4'-P-C4' energy: -56.254 flat angles P-C4'-P energy: -38.989 tors. eta vs tors. theta energy: -18.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -548.781994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.781994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.781994 (E_RNA) where: Base-Base interactions energy: -335.291 where: short stacking energy: -171.429 Base-Backbone interact. energy: -1.334 local terms energy: -212.156750 where: bonds (distance) C4'-P energy: -49.718 bonds (distance) P-C4' energy: -51.310 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -27.518 tors. eta vs tors. theta energy: -26.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1296.023682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.023682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.023682 (E_RNA) where: Base-Base interactions energy: -930.461 where: short stacking energy: -385.507 Base-Backbone interact. energy: -0.673 local terms energy: -364.889291 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -72.250 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -48.753 tors. eta vs tors. theta energy: -99.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1243.268286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.268286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.268286 (E_RNA) where: Base-Base interactions energy: -864.699 where: short stacking energy: -367.124 Base-Backbone interact. energy: 0.626 local terms energy: -379.195860 where: bonds (distance) C4'-P energy: -71.194 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -55.640 tors. eta vs tors. theta energy: -110.178 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: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1234.679753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.679753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.679753 (E_RNA) where: Base-Base interactions energy: -872.435 where: short stacking energy: -369.607 Base-Backbone interact. energy: -0.885 local terms energy: -361.360578 where: bonds (distance) C4'-P energy: -69.525 bonds (distance) P-C4' energy: -63.701 flat angles C4'-P-C4' energy: -77.911 flat angles P-C4'-P energy: -43.709 tors. eta vs tors. theta energy: -106.515 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: 8 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1097.763865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.763865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.763865 (E_RNA) where: Base-Base interactions energy: -778.227 where: short stacking energy: -326.316 Base-Backbone interact. energy: -0.818 local terms energy: -318.719081 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -63.741 flat angles C4'-P-C4' energy: -70.271 flat angles P-C4'-P energy: -39.520 tors. eta vs tors. theta energy: -79.319 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: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1087.165577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.165577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.165577 (E_RNA) where: Base-Base interactions energy: -765.303 where: short stacking energy: -310.135 Base-Backbone interact. energy: 0.326 local terms energy: -322.188159 where: bonds (distance) C4'-P energy: -70.666 bonds (distance) P-C4' energy: -58.530 flat angles C4'-P-C4' energy: -68.797 flat angles P-C4'-P energy: -51.656 tors. eta vs tors. theta energy: -72.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -955.203637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.203637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.203637 (E_RNA) where: Base-Base interactions energy: -644.943 where: short stacking energy: -296.393 Base-Backbone interact. energy: 3.617 local terms energy: -313.877674 where: bonds (distance) C4'-P energy: -47.569 bonds (distance) P-C4' energy: -72.239 flat angles C4'-P-C4' energy: -61.836 flat angles P-C4'-P energy: -53.317 tors. eta vs tors. theta energy: -78.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -909.379947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.379947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.379947 (E_RNA) where: Base-Base interactions energy: -625.528 where: short stacking energy: -266.760 Base-Backbone interact. energy: 1.906 local terms energy: -285.758061 where: bonds (distance) C4'-P energy: -59.850 bonds (distance) P-C4' energy: -59.533 flat angles C4'-P-C4' energy: -66.275 flat angles P-C4'-P energy: -31.519 tors. eta vs tors. theta energy: -68.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -847.585606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.585606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.585606 (E_RNA) where: Base-Base interactions energy: -554.493 where: short stacking energy: -240.805 Base-Backbone interact. energy: -1.074 local terms energy: -292.018205 where: bonds (distance) C4'-P energy: -55.180 bonds (distance) P-C4' energy: -54.517 flat angles C4'-P-C4' energy: -72.040 flat angles P-C4'-P energy: -39.464 tors. eta vs tors. theta energy: -70.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -533.165704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.165704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.165704 (E_RNA) where: Base-Base interactions energy: -297.118 where: short stacking energy: -175.827 Base-Backbone interact. energy: -0.441 local terms energy: -235.607143 where: bonds (distance) C4'-P energy: -57.659 bonds (distance) P-C4' energy: -66.429 flat angles C4'-P-C4' energy: -59.061 flat angles P-C4'-P energy: -30.561 tors. eta vs tors. theta energy: -21.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -585.192324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.192324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.192324 (E_RNA) where: Base-Base interactions energy: -365.091 where: short stacking energy: -178.745 Base-Backbone interact. energy: 2.391 local terms energy: -222.492868 where: bonds (distance) C4'-P energy: -59.846 bonds (distance) P-C4' energy: -46.171 flat angles C4'-P-C4' energy: -56.828 flat angles P-C4'-P energy: -35.574 tors. eta vs tors. theta energy: -24.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1292.116646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.116646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.116646 (E_RNA) where: Base-Base interactions energy: -920.333 where: short stacking energy: -379.339 Base-Backbone interact. energy: -1.885 local terms energy: -369.898676 where: bonds (distance) C4'-P energy: -77.112 bonds (distance) P-C4' energy: -71.587 flat angles C4'-P-C4' energy: -75.027 flat angles P-C4'-P energy: -50.025 tors. eta vs tors. theta energy: -96.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1239.670705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.670705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.670705 (E_RNA) where: Base-Base interactions energy: -870.466 where: short stacking energy: -381.310 Base-Backbone interact. energy: -0.167 local terms energy: -369.038155 where: bonds (distance) C4'-P energy: -61.923 bonds (distance) P-C4' energy: -68.013 flat angles C4'-P-C4' energy: -81.746 flat angles P-C4'-P energy: -53.587 tors. eta vs tors. theta energy: -103.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1235.577007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.577007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.577007 (E_RNA) where: Base-Base interactions energy: -877.037 where: short stacking energy: -377.476 Base-Backbone interact. energy: 0.804 local terms energy: -359.344701 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -59.412 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -55.541 tors. eta vs tors. theta energy: -97.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1094.511971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.511971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.511971 (E_RNA) where: Base-Base interactions energy: -779.400 where: short stacking energy: -316.270 Base-Backbone interact. energy: -0.286 local terms energy: -314.825564 where: bonds (distance) C4'-P energy: -57.119 bonds (distance) P-C4' energy: -61.533 flat angles C4'-P-C4' energy: -68.561 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: -86.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1079.633921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.633921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.633921 (E_RNA) where: Base-Base interactions energy: -761.868 where: short stacking energy: -319.424 Base-Backbone interact. energy: 5.953 local terms energy: -323.719418 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -62.001 flat angles C4'-P-C4' energy: -67.352 flat angles P-C4'-P energy: -54.218 tors. eta vs tors. theta energy: -73.193 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: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -986.882093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.882093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.882093 (E_RNA) where: Base-Base interactions energy: -675.345 where: short stacking energy: -306.727 Base-Backbone interact. energy: -0.855 local terms energy: -310.681977 where: bonds (distance) C4'-P energy: -52.297 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -64.798 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -88.339 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: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -898.526538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.526538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.526538 (E_RNA) where: Base-Base interactions energy: -621.251 where: short stacking energy: -269.987 Base-Backbone interact. energy: 1.162 local terms energy: -278.437679 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -50.835 flat angles C4'-P-C4' energy: -65.556 flat angles P-C4'-P energy: -37.255 tors. eta vs tors. theta energy: -65.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -826.383815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.383815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.383815 (E_RNA) where: Base-Base interactions energy: -543.708 where: short stacking energy: -238.377 Base-Backbone interact. energy: -2.122 local terms energy: -280.553585 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -52.068 flat angles C4'-P-C4' energy: -65.759 flat angles P-C4'-P energy: -41.745 tors. eta vs tors. theta energy: -52.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -609.697489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.697489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.697489 (E_RNA) where: Base-Base interactions energy: -367.065 where: short stacking energy: -185.183 Base-Backbone interact. energy: 0.361 local terms energy: -242.993784 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -49.057 flat angles C4'-P-C4' energy: -75.599 flat angles P-C4'-P energy: -34.987 tors. eta vs tors. theta energy: -24.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -498.349668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.349668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.349668 (E_RNA) where: Base-Base interactions energy: -268.482 where: short stacking energy: -139.210 Base-Backbone interact. energy: -1.160 local terms energy: -228.708045 where: bonds (distance) C4'-P energy: -57.532 bonds (distance) P-C4' energy: -64.973 flat angles C4'-P-C4' energy: -54.508 flat angles P-C4'-P energy: -28.979 tors. eta vs tors. theta energy: -22.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1282.978953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.978953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.978953 (E_RNA) where: Base-Base interactions energy: -928.462 where: short stacking energy: -375.393 Base-Backbone interact. energy: -1.811 local terms energy: -352.706093 where: bonds (distance) C4'-P energy: -61.159 bonds (distance) P-C4' energy: -64.332 flat angles C4'-P-C4' energy: -79.241 flat angles P-C4'-P energy: -50.402 tors. eta vs tors. theta energy: -97.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1242.514013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.514013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.514013 (E_RNA) where: Base-Base interactions energy: -865.217 where: short stacking energy: -368.082 Base-Backbone interact. energy: -0.505 local terms energy: -376.791552 where: bonds (distance) C4'-P energy: -74.701 bonds (distance) P-C4' energy: -72.140 flat angles C4'-P-C4' energy: -71.797 flat angles P-C4'-P energy: -48.017 tors. eta vs tors. theta energy: -110.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1250.237182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.237182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.237182 (E_RNA) where: Base-Base interactions energy: -874.670 where: short stacking energy: -363.380 Base-Backbone interact. energy: -0.691 local terms energy: -374.876236 where: bonds (distance) C4'-P energy: -69.155 bonds (distance) P-C4' energy: -65.028 flat angles C4'-P-C4' energy: -80.872 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -103.816 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: 4, replica: 8 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1114.203177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.203177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.203177 (E_RNA) where: Base-Base interactions energy: -785.018 where: short stacking energy: -321.493 Base-Backbone interact. energy: -1.565 local terms energy: -327.620692 where: bonds (distance) C4'-P energy: -66.356 bonds (distance) P-C4' energy: -66.828 flat angles C4'-P-C4' energy: -70.452 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -84.000 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: 145 Temperature: 1.100000 Total energy: -1081.493032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.493032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.493032 (E_RNA) where: Base-Base interactions energy: -776.251 where: short stacking energy: -307.240 Base-Backbone interact. energy: -1.279 local terms energy: -303.962727 where: bonds (distance) C4'-P energy: -62.052 bonds (distance) P-C4' energy: -50.703 flat angles C4'-P-C4' energy: -72.072 flat angles P-C4'-P energy: -47.551 tors. eta vs tors. theta energy: -71.585 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: 3 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -959.698078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.698078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.698078 (E_RNA) where: Base-Base interactions energy: -639.034 where: short stacking energy: -295.233 Base-Backbone interact. energy: -1.208 local terms energy: -319.456592 where: bonds (distance) C4'-P energy: -65.676 bonds (distance) P-C4' energy: -54.236 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -47.232 tors. eta vs tors. theta energy: -87.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -909.856552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.856552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.856552 (E_RNA) where: Base-Base interactions energy: -625.683 where: short stacking energy: -268.945 Base-Backbone interact. energy: -2.770 local terms energy: -281.403073 where: bonds (distance) C4'-P energy: -59.185 bonds (distance) P-C4' energy: -55.312 flat angles C4'-P-C4' energy: -57.920 flat angles P-C4'-P energy: -46.877 tors. eta vs tors. theta energy: -62.109 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: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -811.354517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.354517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.354517 (E_RNA) where: Base-Base interactions energy: -553.043 where: short stacking energy: -263.200 Base-Backbone interact. energy: -1.324 local terms energy: -256.987637 where: bonds (distance) C4'-P energy: -47.666 bonds (distance) P-C4' energy: -49.351 flat angles C4'-P-C4' energy: -64.643 flat angles P-C4'-P energy: -42.404 tors. eta vs tors. theta energy: -52.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -582.221304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.221304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.221304 (E_RNA) where: Base-Base interactions energy: -329.093 where: short stacking energy: -168.764 Base-Backbone interact. energy: 2.434 local terms energy: -255.561493 where: bonds (distance) C4'-P energy: -67.804 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -58.366 flat angles P-C4'-P energy: -37.478 tors. eta vs tors. theta energy: -30.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -490.844643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.844643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.844643 (E_RNA) where: Base-Base interactions energy: -291.658 where: short stacking energy: -145.627 Base-Backbone interact. energy: 5.031 local terms energy: -204.217681 where: bonds (distance) C4'-P energy: -51.021 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -49.259 flat angles P-C4'-P energy: -25.805 tors. eta vs tors. theta energy: -21.614 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: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1280.657611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.657611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.657611 (E_RNA) where: Base-Base interactions energy: -917.244 where: short stacking energy: -359.124 Base-Backbone interact. energy: -0.831 local terms energy: -362.582729 where: bonds (distance) C4'-P energy: -71.250 bonds (distance) P-C4' energy: -68.675 flat angles C4'-P-C4' energy: -78.537 flat angles P-C4'-P energy: -52.321 tors. eta vs tors. theta energy: -91.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1255.300511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.300511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.300511 (E_RNA) where: Base-Base interactions energy: -891.122 where: short stacking energy: -372.802 Base-Backbone interact. energy: -0.593 local terms energy: -363.585602 where: bonds (distance) C4'-P energy: -63.107 bonds (distance) P-C4' energy: -71.411 flat angles C4'-P-C4' energy: -70.897 flat angles P-C4'-P energy: -52.481 tors. eta vs tors. theta energy: -105.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1235.695545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.695545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.695545 (E_RNA) where: Base-Base interactions energy: -866.829 where: short stacking energy: -373.737 Base-Backbone interact. energy: -0.094 local terms energy: -368.772182 where: bonds (distance) C4'-P energy: -56.157 bonds (distance) P-C4' energy: -72.813 flat angles C4'-P-C4' energy: -77.775 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -103.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1078.003751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.003751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.003751 (E_RNA) where: Base-Base interactions energy: -757.526 where: short stacking energy: -301.687 Base-Backbone interact. energy: -0.089 local terms energy: -320.388914 where: bonds (distance) C4'-P energy: -63.557 bonds (distance) P-C4' energy: -62.246 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -74.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1116.690651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.690651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.690651 (E_RNA) where: Base-Base interactions energy: -799.563 where: short stacking energy: -334.167 Base-Backbone interact. energy: -2.230 local terms energy: -314.897237 where: bonds (distance) C4'-P energy: -47.117 bonds (distance) P-C4' energy: -66.294 flat angles C4'-P-C4' energy: -69.602 flat angles P-C4'-P energy: -49.519 tors. eta vs tors. theta energy: -82.365 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: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -976.897948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.897948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.897948 (E_RNA) where: Base-Base interactions energy: -667.895 where: short stacking energy: -302.217 Base-Backbone interact. energy: -1.004 local terms energy: -307.998215 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -52.854 flat angles C4'-P-C4' energy: -64.768 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -81.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -832.433975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.433975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.433975 (E_RNA) where: Base-Base interactions energy: -555.645 where: short stacking energy: -236.581 Base-Backbone interact. energy: 3.418 local terms energy: -280.206851 where: bonds (distance) C4'-P energy: -62.960 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -42.032 tors. eta vs tors. theta energy: -43.408 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: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -869.253733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.253733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.253733 (E_RNA) where: Base-Base interactions energy: -613.023 where: short stacking energy: -262.071 Base-Backbone interact. energy: -0.950 local terms energy: -255.280905 where: bonds (distance) C4'-P energy: -41.513 bonds (distance) P-C4' energy: -50.942 flat angles C4'-P-C4' energy: -63.579 flat angles P-C4'-P energy: -33.338 tors. eta vs tors. theta energy: -65.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -554.202735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.202735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.202735 (E_RNA) where: Base-Base interactions energy: -313.385 where: short stacking energy: -172.401 Base-Backbone interact. energy: -0.322 local terms energy: -240.495633 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -57.116 flat angles C4'-P-C4' energy: -59.620 flat angles P-C4'-P energy: -34.675 tors. eta vs tors. theta energy: -33.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -519.336776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.336776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.336776 (E_RNA) where: Base-Base interactions energy: -315.334 where: short stacking energy: -156.192 Base-Backbone interact. energy: 2.651 local terms energy: -206.654141 where: bonds (distance) C4'-P energy: -40.811 bonds (distance) P-C4' energy: -52.378 flat angles C4'-P-C4' energy: -65.203 flat angles P-C4'-P energy: -26.242 tors. eta vs tors. theta energy: -22.021 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: 147 Temperature: 0.900000 Total energy: -1281.449458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.449458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.449458 (E_RNA) where: Base-Base interactions energy: -905.133 where: short stacking energy: -371.567 Base-Backbone interact. energy: -1.768 local terms energy: -374.547968 where: bonds (distance) C4'-P energy: -68.147 bonds (distance) P-C4' energy: -78.589 flat angles C4'-P-C4' energy: -74.524 flat angles P-C4'-P energy: -53.723 tors. eta vs tors. theta energy: -99.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1262.099698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.099698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.099698 (E_RNA) where: Base-Base interactions energy: -898.138 where: short stacking energy: -378.200 Base-Backbone interact. energy: -0.560 local terms energy: -363.401777 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -61.913 flat angles C4'-P-C4' energy: -79.287 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -107.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1239.925307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.925307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.925307 (E_RNA) where: Base-Base interactions energy: -886.374 where: short stacking energy: -367.734 Base-Backbone interact. energy: 0.645 local terms energy: -354.196588 where: bonds (distance) C4'-P energy: -57.789 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -82.317 flat angles P-C4'-P energy: -41.330 tors. eta vs tors. theta energy: -108.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1116.381611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.381611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.381611 (E_RNA) where: Base-Base interactions energy: -795.878 where: short stacking energy: -331.175 Base-Backbone interact. energy: -0.055 local terms energy: -320.448985 where: bonds (distance) C4'-P energy: -66.252 bonds (distance) P-C4' energy: -54.693 flat angles C4'-P-C4' energy: -62.522 flat angles P-C4'-P energy: -49.722 tors. eta vs tors. theta energy: -87.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1078.173816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.173816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.173816 (E_RNA) where: Base-Base interactions energy: -756.709 where: short stacking energy: -298.919 Base-Backbone interact. energy: -3.652 local terms energy: -317.812292 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -64.464 flat angles C4'-P-C4' energy: -73.548 flat angles P-C4'-P energy: -47.451 tors. eta vs tors. theta energy: -75.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -941.281369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.281369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.281369 (E_RNA) where: Base-Base interactions energy: -622.238 where: short stacking energy: -292.498 Base-Backbone interact. energy: -0.780 local terms energy: -318.263394 where: bonds (distance) C4'-P energy: -72.728 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -65.947 flat angles P-C4'-P energy: -41.513 tors. eta vs tors. theta energy: -77.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -868.226262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.226262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.226262 (E_RNA) where: Base-Base interactions energy: -587.843 where: short stacking energy: -257.443 Base-Backbone interact. energy: -1.007 local terms energy: -279.376246 where: bonds (distance) C4'-P energy: -54.449 bonds (distance) P-C4' energy: -67.461 flat angles C4'-P-C4' energy: -64.268 flat angles P-C4'-P energy: -35.193 tors. eta vs tors. theta energy: -58.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -837.627825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.627825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.627825 (E_RNA) where: Base-Base interactions energy: -558.010 where: short stacking energy: -217.468 Base-Backbone interact. energy: -0.627 local terms energy: -278.990959 where: bonds (distance) C4'-P energy: -59.032 bonds (distance) P-C4' energy: -57.253 flat angles C4'-P-C4' energy: -70.309 flat angles P-C4'-P energy: -47.306 tors. eta vs tors. theta energy: -45.091 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: 1 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -582.212452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.212452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.212452 (E_RNA) where: Base-Base interactions energy: -309.056 where: short stacking energy: -185.787 Base-Backbone interact. energy: -0.968 local terms energy: -272.188299 where: bonds (distance) C4'-P energy: -63.199 bonds (distance) P-C4' energy: -73.302 flat angles C4'-P-C4' energy: -70.843 flat angles P-C4'-P energy: -36.444 tors. eta vs tors. theta energy: -28.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -515.298448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.298448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.298448 (E_RNA) where: Base-Base interactions energy: -285.699 where: short stacking energy: -165.352 Base-Backbone interact. energy: 2.044 local terms energy: -231.642732 where: bonds (distance) C4'-P energy: -49.503 bonds (distance) P-C4' energy: -58.249 flat angles C4'-P-C4' energy: -60.206 flat angles P-C4'-P energy: -35.792 tors. eta vs tors. theta energy: -27.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1285.847369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.847369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.847369 (E_RNA) where: Base-Base interactions energy: -922.591 where: short stacking energy: -367.084 Base-Backbone interact. energy: 0.652 local terms energy: -363.907888 where: bonds (distance) C4'-P energy: -68.862 bonds (distance) P-C4' energy: -75.413 flat angles C4'-P-C4' energy: -78.732 flat angles P-C4'-P energy: -44.613 tors. eta vs tors. theta energy: -96.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1255.844082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.844082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.844082 (E_RNA) where: Base-Base interactions energy: -901.504 where: short stacking energy: -375.397 Base-Backbone interact. energy: 3.187 local terms energy: -357.526498 where: bonds (distance) C4'-P energy: -62.387 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -73.712 flat angles P-C4'-P energy: -52.232 tors. eta vs tors. theta energy: -109.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1224.586788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.586788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.586788 (E_RNA) where: Base-Base interactions energy: -893.383 where: short stacking energy: -377.807 Base-Backbone interact. energy: -0.583 local terms energy: -330.620905 where: bonds (distance) C4'-P energy: -64.203 bonds (distance) P-C4' energy: -54.071 flat angles C4'-P-C4' energy: -69.122 flat angles P-C4'-P energy: -39.375 tors. eta vs tors. theta energy: -103.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1127.231214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.231214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.231214 (E_RNA) where: Base-Base interactions energy: -786.137 where: short stacking energy: -326.309 Base-Backbone interact. energy: -1.289 local terms energy: -339.804922 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -67.489 flat angles C4'-P-C4' energy: -78.093 flat angles P-C4'-P energy: -47.427 tors. eta vs tors. theta energy: -82.673 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: 5, replica: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1083.862308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.862308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.862308 (E_RNA) where: Base-Base interactions energy: -758.275 where: short stacking energy: -311.862 Base-Backbone interact. energy: -2.306 local terms energy: -323.280871 where: bonds (distance) C4'-P energy: -45.359 bonds (distance) P-C4' energy: -74.749 flat angles C4'-P-C4' energy: -75.572 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -74.877 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: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -958.882637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.882637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.882637 (E_RNA) where: Base-Base interactions energy: -639.177 where: short stacking energy: -296.743 Base-Backbone interact. energy: 0.606 local terms energy: -320.311628 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -68.261 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -48.498 tors. eta vs tors. theta energy: -73.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -895.335866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.335866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.335866 (E_RNA) where: Base-Base interactions energy: -603.785 where: short stacking energy: -263.268 Base-Backbone interact. energy: 0.938 local terms energy: -292.488549 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -60.815 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -51.691 tors. eta vs tors. theta energy: -53.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -857.558546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.558546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.558546 (E_RNA) where: Base-Base interactions energy: -576.454 where: short stacking energy: -257.727 Base-Backbone interact. energy: -0.236 local terms energy: -280.868402 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -56.833 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -61.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -585.987174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.987174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.987174 (E_RNA) where: Base-Base interactions energy: -361.706 where: short stacking energy: -175.930 Base-Backbone interact. energy: -1.649 local terms energy: -222.632279 where: bonds (distance) C4'-P energy: -57.101 bonds (distance) P-C4' energy: -65.369 flat angles C4'-P-C4' energy: -42.236 flat angles P-C4'-P energy: -26.194 tors. eta vs tors. theta energy: -31.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -522.521688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.521688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.521688 (E_RNA) where: Base-Base interactions energy: -286.886 where: short stacking energy: -164.976 Base-Backbone interact. energy: 6.578 local terms energy: -242.213352 where: bonds (distance) C4'-P energy: -43.528 bonds (distance) P-C4' energy: -72.853 flat angles C4'-P-C4' energy: -65.277 flat angles P-C4'-P energy: -32.856 tors. eta vs tors. theta energy: -27.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1287.465468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.465468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.465468 (E_RNA) where: Base-Base interactions energy: -935.203 where: short stacking energy: -375.769 Base-Backbone interact. energy: -1.812 local terms energy: -350.451103 where: bonds (distance) C4'-P energy: -52.120 bonds (distance) P-C4' energy: -78.177 flat angles C4'-P-C4' energy: -74.671 flat angles P-C4'-P energy: -50.617 tors. eta vs tors. theta energy: -94.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1238.689489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.689489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.689489 (E_RNA) where: Base-Base interactions energy: -855.118 where: short stacking energy: -368.362 Base-Backbone interact. energy: -0.969 local terms energy: -382.601867 where: bonds (distance) C4'-P energy: -61.343 bonds (distance) P-C4' energy: -74.695 flat angles C4'-P-C4' energy: -81.663 flat angles P-C4'-P energy: -57.984 tors. eta vs tors. theta energy: -106.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1222.156452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.156452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.156452 (E_RNA) where: Base-Base interactions energy: -869.773 where: short stacking energy: -375.534 Base-Backbone interact. energy: -1.201 local terms energy: -351.182357 where: bonds (distance) C4'-P energy: -65.153 bonds (distance) P-C4' energy: -71.081 flat angles C4'-P-C4' energy: -65.527 flat angles P-C4'-P energy: -47.991 tors. eta vs tors. theta energy: -101.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1136.896102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.896102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.896102 (E_RNA) where: Base-Base interactions energy: -800.151 where: short stacking energy: -343.700 Base-Backbone interact. energy: -2.403 local terms energy: -334.342399 where: bonds (distance) C4'-P energy: -58.690 bonds (distance) P-C4' energy: -64.723 flat angles C4'-P-C4' energy: -70.614 flat angles P-C4'-P energy: -52.691 tors. eta vs tors. theta energy: -87.625 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: 149 Temperature: 1.100000 Total energy: -1091.957201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.957201 (E_RNA) where: Base-Base interactions energy: -773.910 where: short stacking energy: -325.650 Base-Backbone interact. energy: -0.108 local terms energy: -317.939377 where: bonds (distance) C4'-P energy: -61.002 bonds (distance) P-C4' energy: -67.689 flat angles C4'-P-C4' energy: -69.639 flat angles P-C4'-P energy: -41.881 tors. eta vs tors. theta energy: -77.728 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: 6, replica: 3 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -938.995249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.995249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.995249 (E_RNA) where: Base-Base interactions energy: -626.133 where: short stacking energy: -285.753 Base-Backbone interact. energy: -0.556 local terms energy: -312.306147 where: bonds (distance) C4'-P energy: -58.326 bonds (distance) P-C4' energy: -69.063 flat angles C4'-P-C4' energy: -66.645 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -75.289 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: 5 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -867.598221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.598221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.598221 (E_RNA) where: Base-Base interactions energy: -580.460 where: short stacking energy: -257.034 Base-Backbone interact. energy: -0.828 local terms energy: -286.310013 where: bonds (distance) C4'-P energy: -48.435 bonds (distance) P-C4' energy: -60.171 flat angles C4'-P-C4' energy: -71.726 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: -60.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -895.540354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.540354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.540354 (E_RNA) where: Base-Base interactions energy: -611.214 where: short stacking energy: -268.595 Base-Backbone interact. energy: -1.170 local terms energy: -283.156327 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -64.450 flat angles C4'-P-C4' energy: -68.390 flat angles P-C4'-P energy: -41.310 tors. eta vs tors. theta energy: -49.926 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: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -554.079182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.079182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.079182 (E_RNA) where: Base-Base interactions energy: -311.826 where: short stacking energy: -169.743 Base-Backbone interact. energy: 0.865 local terms energy: -243.118174 where: bonds (distance) C4'-P energy: -63.198 bonds (distance) P-C4' energy: -58.629 flat angles C4'-P-C4' energy: -53.938 flat angles P-C4'-P energy: -41.311 tors. eta vs tors. theta energy: -26.042 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: 149 Temperature: 1.350000 Total energy: -536.935570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.935570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.935570 (E_RNA) where: Base-Base interactions energy: -302.497 where: short stacking energy: -166.880 Base-Backbone interact. energy: 0.332 local terms energy: -234.770665 where: bonds (distance) C4'-P energy: -52.191 bonds (distance) P-C4' energy: -66.072 flat angles C4'-P-C4' energy: -55.922 flat angles P-C4'-P energy: -36.199 tors. eta vs tors. theta energy: -24.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1291.269289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.269289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.269289 (E_RNA) where: Base-Base interactions energy: -920.608 where: short stacking energy: -369.267 Base-Backbone interact. energy: -0.458 local terms energy: -370.203104 where: bonds (distance) C4'-P energy: -66.704 bonds (distance) P-C4' energy: -74.296 flat angles C4'-P-C4' energy: -78.208 flat angles P-C4'-P energy: -48.521 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: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1231.794296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.794296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.794296 (E_RNA) where: Base-Base interactions energy: -863.916 where: short stacking energy: -371.653 Base-Backbone interact. energy: -1.865 local terms energy: -366.013196 where: bonds (distance) C4'-P energy: -69.853 bonds (distance) P-C4' energy: -74.710 flat angles C4'-P-C4' energy: -78.179 flat angles P-C4'-P energy: -41.605 tors. eta vs tors. theta energy: -101.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1171.132927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.132927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.132927 (E_RNA) where: Base-Base interactions energy: -817.905 where: short stacking energy: -353.802 Base-Backbone interact. energy: -2.789 local terms energy: -350.438880 where: bonds (distance) C4'-P energy: -54.617 bonds (distance) P-C4' energy: -67.630 flat angles C4'-P-C4' energy: -81.769 flat angles P-C4'-P energy: -55.898 tors. eta vs tors. theta energy: -90.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1215.553525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.553525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.553525 (E_RNA) where: Base-Base interactions energy: -857.237 where: short stacking energy: -354.771 Base-Backbone interact. energy: -0.625 local terms energy: -357.691464 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -75.755 flat angles P-C4'-P energy: -52.833 tors. eta vs tors. theta energy: -106.070 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: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1049.756741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.756741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.756741 (E_RNA) where: Base-Base interactions energy: -732.511 where: short stacking energy: -292.894 Base-Backbone interact. energy: 3.800 local terms energy: -321.045050 where: bonds (distance) C4'-P energy: -66.291 bonds (distance) P-C4' energy: -54.761 flat angles C4'-P-C4' energy: -75.012 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -74.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -985.319026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.319026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.319026 (E_RNA) where: Base-Base interactions energy: -673.287 where: short stacking energy: -317.193 Base-Backbone interact. energy: -0.583 local terms energy: -311.448696 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -55.649 flat angles C4'-P-C4' energy: -73.132 flat angles P-C4'-P energy: -41.492 tors. eta vs tors. theta energy: -84.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -830.360151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.360151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.360151 (E_RNA) where: Base-Base interactions energy: -559.076 where: short stacking energy: -230.074 Base-Backbone interact. energy: 1.583 local terms energy: -272.867340 where: bonds (distance) C4'-P energy: -48.928 bonds (distance) P-C4' energy: -67.443 flat angles C4'-P-C4' energy: -64.463 flat angles P-C4'-P energy: -37.366 tors. eta vs tors. theta energy: -54.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -863.947946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.947946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.947946 (E_RNA) where: Base-Base interactions energy: -598.353 where: short stacking energy: -268.201 Base-Backbone interact. energy: -0.708 local terms energy: -264.887276 where: bonds (distance) C4'-P energy: -54.567 bonds (distance) P-C4' energy: -54.573 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -26.866 tors. eta vs tors. theta energy: -59.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -577.003878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.003878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.003878 (E_RNA) where: Base-Base interactions energy: -324.833 where: short stacking energy: -170.835 Base-Backbone interact. energy: -2.294 local terms energy: -249.877460 where: bonds (distance) C4'-P energy: -62.848 bonds (distance) P-C4' energy: -65.066 flat angles C4'-P-C4' energy: -59.167 flat angles P-C4'-P energy: -34.631 tors. eta vs tors. theta energy: -28.166 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: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -515.379466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.379466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.379466 (E_RNA) where: Base-Base interactions energy: -299.130 where: short stacking energy: -133.154 Base-Backbone interact. energy: -0.874 local terms energy: -215.374950 where: bonds (distance) C4'-P energy: -45.035 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -56.301 flat angles P-C4'-P energy: -32.276 tors. eta vs tors. theta energy: -9.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1293.749752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.749752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.749752 (E_RNA) where: Base-Base interactions energy: -914.951 where: short stacking energy: -369.963 Base-Backbone interact. energy: -0.903 local terms energy: -377.895478 where: bonds (distance) C4'-P energy: -67.798 bonds (distance) P-C4' energy: -74.677 flat angles C4'-P-C4' energy: -81.800 flat angles P-C4'-P energy: -57.883 tors. eta vs tors. theta energy: -95.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1225.584080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.584080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.584080 (E_RNA) where: Base-Base interactions energy: -836.394 where: short stacking energy: -365.058 Base-Backbone interact. energy: -0.988 local terms energy: -388.202849 where: bonds (distance) C4'-P energy: -69.299 bonds (distance) P-C4' energy: -70.273 flat angles C4'-P-C4' energy: -82.518 flat angles P-C4'-P energy: -59.523 tors. eta vs tors. theta energy: -106.590 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: 3, replica: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1162.846521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.846521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.846521 (E_RNA) where: Base-Base interactions energy: -822.186 where: short stacking energy: -359.638 Base-Backbone interact. energy: 0.748 local terms energy: -341.408529 where: bonds (distance) C4'-P energy: -66.620 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -49.025 tors. eta vs tors. theta energy: -87.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1208.604223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.604223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.604223 (E_RNA) where: Base-Base interactions energy: -854.212 where: short stacking energy: -364.135 Base-Backbone interact. energy: 0.384 local terms energy: -354.776268 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -65.679 flat angles P-C4'-P energy: -57.238 tors. eta vs tors. theta energy: -105.152 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: 151 Temperature: 1.100000 Total energy: -1059.168863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.168863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.168863 (E_RNA) where: Base-Base interactions energy: -731.604 where: short stacking energy: -294.061 Base-Backbone interact. energy: -2.451 local terms energy: -325.114293 where: bonds (distance) C4'-P energy: -69.726 bonds (distance) P-C4' energy: -64.847 flat angles C4'-P-C4' energy: -71.829 flat angles P-C4'-P energy: -41.703 tors. eta vs tors. theta energy: -77.009 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -962.795582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.795582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.795582 (E_RNA) where: Base-Base interactions energy: -658.589 where: short stacking energy: -295.965 Base-Backbone interact. energy: -1.131 local terms energy: -303.075231 where: bonds (distance) C4'-P energy: -53.478 bonds (distance) P-C4' energy: -63.556 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -38.340 tors. eta vs tors. theta energy: -76.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -895.539568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.539568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.539568 (E_RNA) where: Base-Base interactions energy: -604.742 where: short stacking energy: -267.944 Base-Backbone interact. energy: -1.808 local terms energy: -288.989497 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -51.086 flat angles C4'-P-C4' energy: -68.196 flat angles P-C4'-P energy: -42.262 tors. eta vs tors. theta energy: -67.648 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: 8, replica: 10 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -843.466558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.466558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.466558 (E_RNA) where: Base-Base interactions energy: -574.262 where: short stacking energy: -255.395 Base-Backbone interact. energy: 0.291 local terms energy: -269.495751 where: bonds (distance) C4'-P energy: -47.569 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -53.541 flat angles P-C4'-P energy: -43.712 tors. eta vs tors. theta energy: -60.173 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: 1 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -556.198567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.198567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.198567 (E_RNA) where: Base-Base interactions energy: -314.767 where: short stacking energy: -163.400 Base-Backbone interact. energy: -0.600 local terms energy: -240.831391 where: bonds (distance) C4'-P energy: -61.949 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -56.410 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -22.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -599.632873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.632873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.632873 (E_RNA) where: Base-Base interactions energy: -372.200 where: short stacking energy: -170.116 Base-Backbone interact. energy: -0.815 local terms energy: -226.618118 where: bonds (distance) C4'-P energy: -66.119 bonds (distance) P-C4' energy: -62.993 flat angles C4'-P-C4' energy: -46.200 flat angles P-C4'-P energy: -29.427 tors. eta vs tors. theta energy: -21.880 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: 152 Temperature: 0.900000 Total energy: -1267.098802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.098802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.098802 (E_RNA) where: Base-Base interactions energy: -874.255 where: short stacking energy: -370.898 Base-Backbone interact. energy: -0.721 local terms energy: -392.122335 where: bonds (distance) C4'-P energy: -65.922 bonds (distance) P-C4' energy: -80.624 flat angles C4'-P-C4' energy: -83.625 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -112.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1264.255735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.255735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.255735 (E_RNA) where: Base-Base interactions energy: -899.934 where: short stacking energy: -374.754 Base-Backbone interact. energy: 1.234 local terms energy: -365.555938 where: bonds (distance) C4'-P energy: -74.542 bonds (distance) P-C4' energy: -62.052 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -49.016 tors. eta vs tors. theta energy: -106.720 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: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1240.070607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.070607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.070607 (E_RNA) where: Base-Base interactions energy: -885.368 where: short stacking energy: -365.400 Base-Backbone interact. energy: 1.581 local terms energy: -356.283576 where: bonds (distance) C4'-P energy: -56.825 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -76.479 flat angles P-C4'-P energy: -56.481 tors. eta vs tors. theta energy: -99.147 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: 4, replica: 8 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1115.293538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.293538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.293538 (E_RNA) where: Base-Base interactions energy: -794.191 where: short stacking energy: -328.197 Base-Backbone interact. energy: -0.690 local terms energy: -320.412284 where: bonds (distance) C4'-P energy: -58.874 bonds (distance) P-C4' energy: -68.661 flat angles C4'-P-C4' energy: -62.453 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -84.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1110.275558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.275558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.275558 (E_RNA) where: Base-Base interactions energy: -796.676 where: short stacking energy: -322.459 Base-Backbone interact. energy: 2.309 local terms energy: -315.908982 where: bonds (distance) C4'-P energy: -59.584 bonds (distance) P-C4' energy: -64.561 flat angles C4'-P-C4' energy: -73.440 flat angles P-C4'-P energy: -40.659 tors. eta vs tors. theta energy: -77.664 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: 152 Temperature: 1.150000 Total energy: -937.155840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.155840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.155840 (E_RNA) where: Base-Base interactions energy: -615.645 where: short stacking energy: -294.863 Base-Backbone interact. energy: -1.100 local terms energy: -320.410694 where: bonds (distance) C4'-P energy: -60.619 bonds (distance) P-C4' energy: -73.037 flat angles C4'-P-C4' energy: -69.711 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -76.374 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: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -909.924469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.924469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.924469 (E_RNA) where: Base-Base interactions energy: -633.816 where: short stacking energy: -261.448 Base-Backbone interact. energy: 2.338 local terms energy: -278.446715 where: bonds (distance) C4'-P energy: -45.384 bonds (distance) P-C4' energy: -58.832 flat angles C4'-P-C4' energy: -70.889 flat angles P-C4'-P energy: -51.174 tors. eta vs tors. theta energy: -52.167 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: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -827.322111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.322111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.322111 (E_RNA) where: Base-Base interactions energy: -538.995 where: short stacking energy: -232.052 Base-Backbone interact. energy: 1.233 local terms energy: -289.560117 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -63.858 flat angles C4'-P-C4' energy: -68.032 flat angles P-C4'-P energy: -47.620 tors. eta vs tors. theta energy: -51.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -542.583370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.583370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.583370 (E_RNA) where: Base-Base interactions energy: -321.437 where: short stacking energy: -159.454 Base-Backbone interact. energy: 4.175 local terms energy: -225.321181 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -65.360 flat angles C4'-P-C4' energy: -47.746 flat angles P-C4'-P energy: -32.277 tors. eta vs tors. theta energy: -22.233 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: 10, replica: 1 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -551.711834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.711834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.711834 (E_RNA) where: Base-Base interactions energy: -321.404 where: short stacking energy: -165.626 Base-Backbone interact. energy: -1.012 local terms energy: -229.296735 where: bonds (distance) C4'-P energy: -66.910 bonds (distance) P-C4' energy: -69.164 flat angles C4'-P-C4' energy: -49.520 flat angles P-C4'-P energy: -25.314 tors. eta vs tors. theta energy: -18.390 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: 153 Temperature: 0.900000 Total energy: -1265.046597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.046597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.046597 (E_RNA) where: Base-Base interactions energy: -885.729 where: short stacking energy: -374.838 Base-Backbone interact. energy: -0.258 local terms energy: -379.059135 where: bonds (distance) C4'-P energy: -69.989 bonds (distance) P-C4' energy: -67.223 flat angles C4'-P-C4' energy: -79.573 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -108.565 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: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1270.572900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.572900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.572900 (E_RNA) where: Base-Base interactions energy: -892.511 where: short stacking energy: -386.656 Base-Backbone interact. energy: -1.865 local terms energy: -376.196538 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -76.841 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -108.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1231.881727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.881727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.881727 (E_RNA) where: Base-Base interactions energy: -895.572 where: short stacking energy: -367.084 Base-Backbone interact. energy: -1.200 local terms energy: -335.110396 where: bonds (distance) C4'-P energy: -65.864 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -75.940 flat angles P-C4'-P energy: -39.333 tors. eta vs tors. theta energy: -90.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1134.852160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.852160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.852160 (E_RNA) where: Base-Base interactions energy: -827.822 where: short stacking energy: -324.287 Base-Backbone interact. energy: 1.516 local terms energy: -308.546517 where: bonds (distance) C4'-P energy: -54.923 bonds (distance) P-C4' energy: -71.461 flat angles C4'-P-C4' energy: -61.291 flat angles P-C4'-P energy: -40.360 tors. eta vs tors. theta energy: -80.511 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: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1089.444001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.444001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.444001 (E_RNA) where: Base-Base interactions energy: -763.066 where: short stacking energy: -325.784 Base-Backbone interact. energy: 3.782 local terms energy: -330.160342 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -53.573 flat angles C4'-P-C4' energy: -71.620 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -87.716 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: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -969.380905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.380905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.380905 (E_RNA) where: Base-Base interactions energy: -646.446 where: short stacking energy: -298.814 Base-Backbone interact. energy: 2.015 local terms energy: -324.949148 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -69.378 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -88.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -899.095959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.095959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.095959 (E_RNA) where: Base-Base interactions energy: -623.111 where: short stacking energy: -274.744 Base-Backbone interact. energy: 0.200 local terms energy: -276.185100 where: bonds (distance) C4'-P energy: -61.880 bonds (distance) P-C4' energy: -57.135 flat angles C4'-P-C4' energy: -61.898 flat angles P-C4'-P energy: -37.334 tors. eta vs tors. theta energy: -57.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -850.171767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.171767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.171767 (E_RNA) where: Base-Base interactions energy: -587.312 where: short stacking energy: -257.125 Base-Backbone interact. energy: -2.421 local terms energy: -260.438785 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -47.014 flat angles C4'-P-C4' energy: -60.720 flat angles P-C4'-P energy: -41.989 tors. eta vs tors. theta energy: -57.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -550.215672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.215672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.215672 (E_RNA) where: Base-Base interactions energy: -330.161 where: short stacking energy: -169.127 Base-Backbone interact. energy: 1.743 local terms energy: -221.798182 where: bonds (distance) C4'-P energy: -59.487 bonds (distance) P-C4' energy: -57.542 flat angles C4'-P-C4' energy: -41.676 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -20.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -528.367220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.367220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.367220 (E_RNA) where: Base-Base interactions energy: -305.356 where: short stacking energy: -180.729 Base-Backbone interact. energy: -1.769 local terms energy: -221.242322 where: bonds (distance) C4'-P energy: -47.986 bonds (distance) P-C4' energy: -66.022 flat angles C4'-P-C4' energy: -52.747 flat angles P-C4'-P energy: -20.908 tors. eta vs tors. theta energy: -33.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1295.918909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.918909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.918909 (E_RNA) where: Base-Base interactions energy: -904.706 where: short stacking energy: -384.441 Base-Backbone interact. energy: -0.367 local terms energy: -390.846769 where: bonds (distance) C4'-P energy: -80.239 bonds (distance) P-C4' energy: -71.605 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -55.841 tors. eta vs tors. theta energy: -106.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1238.167987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.167987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.167987 (E_RNA) where: Base-Base interactions energy: -857.916 where: short stacking energy: -366.926 Base-Backbone interact. energy: -0.634 local terms energy: -379.618546 where: bonds (distance) C4'-P energy: -73.696 bonds (distance) P-C4' energy: -66.166 flat angles C4'-P-C4' energy: -83.192 flat angles P-C4'-P energy: -51.188 tors. eta vs tors. theta energy: -105.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1229.958629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.958629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.958629 (E_RNA) where: Base-Base interactions energy: -892.126 where: short stacking energy: -360.159 Base-Backbone interact. energy: -1.288 local terms energy: -336.545376 where: bonds (distance) C4'-P energy: -53.810 bonds (distance) P-C4' energy: -71.662 flat angles C4'-P-C4' energy: -71.201 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -93.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1141.553847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.553847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.553847 (E_RNA) where: Base-Base interactions energy: -827.066 where: short stacking energy: -316.104 Base-Backbone interact. energy: -2.602 local terms energy: -311.885801 where: bonds (distance) C4'-P energy: -55.035 bonds (distance) P-C4' energy: -60.945 flat angles C4'-P-C4' energy: -77.022 flat angles P-C4'-P energy: -40.560 tors. eta vs tors. theta energy: -78.323 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: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1096.828555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.828555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.828555 (E_RNA) where: Base-Base interactions energy: -776.139 where: short stacking energy: -330.900 Base-Backbone interact. energy: 1.071 local terms energy: -321.760887 where: bonds (distance) C4'-P energy: -59.219 bonds (distance) P-C4' energy: -54.936 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -48.564 tors. eta vs tors. theta energy: -90.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -993.900096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.900096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.900096 (E_RNA) where: Base-Base interactions energy: -658.295 where: short stacking energy: -299.409 Base-Backbone interact. energy: -0.111 local terms energy: -335.494704 where: bonds (distance) C4'-P energy: -66.888 bonds (distance) P-C4' energy: -57.526 flat angles C4'-P-C4' energy: -78.543 flat angles P-C4'-P energy: -48.726 tors. eta vs tors. theta energy: -83.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -869.378348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.378348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.378348 (E_RNA) where: Base-Base interactions energy: -577.207 where: short stacking energy: -267.175 Base-Backbone interact. energy: -1.426 local terms energy: -290.745599 where: bonds (distance) C4'-P energy: -57.744 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -62.426 flat angles P-C4'-P energy: -51.835 tors. eta vs tors. theta energy: -60.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -844.639168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.639168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.639168 (E_RNA) where: Base-Base interactions energy: -575.295 where: short stacking energy: -241.704 Base-Backbone interact. energy: -0.178 local terms energy: -269.165411 where: bonds (distance) C4'-P energy: -67.530 bonds (distance) P-C4' energy: -61.420 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -28.849 tors. eta vs tors. theta energy: -50.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -555.090558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.090558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.090558 (E_RNA) where: Base-Base interactions energy: -322.266 where: short stacking energy: -152.068 Base-Backbone interact. energy: 0.549 local terms energy: -233.374432 where: bonds (distance) C4'-P energy: -52.786 bonds (distance) P-C4' energy: -58.381 flat angles C4'-P-C4' energy: -57.866 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -18.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -515.907983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.907983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.907983 (E_RNA) where: Base-Base interactions energy: -315.321 where: short stacking energy: -174.277 Base-Backbone interact. energy: 0.927 local terms energy: -201.514012 where: bonds (distance) C4'-P energy: -41.869 bonds (distance) P-C4' energy: -45.164 flat angles C4'-P-C4' energy: -53.142 flat angles P-C4'-P energy: -36.578 tors. eta vs tors. theta energy: -24.761 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: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1271.324366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.324366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.324366 (E_RNA) where: Base-Base interactions energy: -894.001 where: short stacking energy: -382.985 Base-Backbone interact. energy: -1.041 local terms energy: -376.282474 where: bonds (distance) C4'-P energy: -68.562 bonds (distance) P-C4' energy: -71.101 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -53.938 tors. eta vs tors. theta energy: -98.373 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: 7 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1255.637170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.637170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.637170 (E_RNA) where: Base-Base interactions energy: -892.609 where: short stacking energy: -354.547 Base-Backbone interact. energy: -1.293 local terms energy: -361.735370 where: bonds (distance) C4'-P energy: -70.644 bonds (distance) P-C4' energy: -74.037 flat angles C4'-P-C4' energy: -79.549 flat angles P-C4'-P energy: -50.251 tors. eta vs tors. theta energy: -87.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1213.759971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.759971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.759971 (E_RNA) where: Base-Base interactions energy: -837.037 where: short stacking energy: -363.621 Base-Backbone interact. energy: -0.321 local terms energy: -376.401972 where: bonds (distance) C4'-P energy: -65.612 bonds (distance) P-C4' energy: -70.479 flat angles C4'-P-C4' energy: -83.952 flat angles P-C4'-P energy: -54.226 tors. eta vs tors. theta energy: -102.132 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: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1108.741714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.741714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.741714 (E_RNA) where: Base-Base interactions energy: -777.068 where: short stacking energy: -310.746 Base-Backbone interact. energy: -0.737 local terms energy: -330.936586 where: bonds (distance) C4'-P energy: -67.385 bonds (distance) P-C4' energy: -70.063 flat angles C4'-P-C4' energy: -65.933 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -74.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1116.707420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.707420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.707420 (E_RNA) where: Base-Base interactions energy: -799.210 where: short stacking energy: -340.231 Base-Backbone interact. energy: -2.423 local terms energy: -315.074301 where: bonds (distance) C4'-P energy: -53.829 bonds (distance) P-C4' energy: -62.879 flat angles C4'-P-C4' energy: -61.128 flat angles P-C4'-P energy: -45.497 tors. eta vs tors. theta energy: -91.741 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: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -972.167842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.167842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.167842 (E_RNA) where: Base-Base interactions energy: -656.871 where: short stacking energy: -274.279 Base-Backbone interact. energy: 1.695 local terms energy: -316.991027 where: bonds (distance) C4'-P energy: -60.362 bonds (distance) P-C4' energy: -68.692 flat angles C4'-P-C4' energy: -68.549 flat angles P-C4'-P energy: -34.230 tors. eta vs tors. theta energy: -85.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -864.622601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.622601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.622601 (E_RNA) where: Base-Base interactions energy: -584.338 where: short stacking energy: -273.942 Base-Backbone interact. energy: 0.621 local terms energy: -280.905527 where: bonds (distance) C4'-P energy: -49.398 bonds (distance) P-C4' energy: -57.984 flat angles C4'-P-C4' energy: -72.593 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -57.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -842.517308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.517308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.517308 (E_RNA) where: Base-Base interactions energy: -578.410 where: short stacking energy: -230.979 Base-Backbone interact. energy: -0.926 local terms energy: -263.181048 where: bonds (distance) C4'-P energy: -52.370 bonds (distance) P-C4' energy: -55.958 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -36.416 tors. eta vs tors. theta energy: -55.793 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: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -580.937417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.937417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.937417 (E_RNA) where: Base-Base interactions energy: -334.736 where: short stacking energy: -186.231 Base-Backbone interact. energy: -1.131 local terms energy: -245.069739 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -54.031 flat angles P-C4'-P energy: -41.312 tors. eta vs tors. theta energy: -30.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -514.849277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.849277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.849277 (E_RNA) where: Base-Base interactions energy: -305.023 where: short stacking energy: -167.268 Base-Backbone interact. energy: 4.022 local terms energy: -213.848357 where: bonds (distance) C4'-P energy: -47.287 bonds (distance) P-C4' energy: -58.060 flat angles C4'-P-C4' energy: -52.463 flat angles P-C4'-P energy: -28.701 tors. eta vs tors. theta energy: -27.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1284.110257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.110257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.110257 (E_RNA) where: Base-Base interactions energy: -893.379 where: short stacking energy: -390.559 Base-Backbone interact. energy: -1.207 local terms energy: -389.524260 where: bonds (distance) C4'-P energy: -72.457 bonds (distance) P-C4' energy: -69.835 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -55.233 tors. eta vs tors. theta energy: -105.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1278.290964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.290964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.290964 (E_RNA) where: Base-Base interactions energy: -910.040 where: short stacking energy: -359.596 Base-Backbone interact. energy: -0.882 local terms energy: -367.368205 where: bonds (distance) C4'-P energy: -70.977 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -85.796 flat angles P-C4'-P energy: -48.927 tors. eta vs tors. theta energy: -94.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1223.398171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.398171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.398171 (E_RNA) where: Base-Base interactions energy: -857.279 where: short stacking energy: -364.751 Base-Backbone interact. energy: 1.409 local terms energy: -367.527738 where: bonds (distance) C4'-P energy: -70.624 bonds (distance) P-C4' energy: -64.719 flat angles C4'-P-C4' energy: -82.003 flat angles P-C4'-P energy: -48.821 tors. eta vs tors. theta energy: -101.361 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: 6 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1128.434174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.434174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.434174 (E_RNA) where: Base-Base interactions energy: -796.552 where: short stacking energy: -318.909 Base-Backbone interact. energy: -2.775 local terms energy: -329.107475 where: bonds (distance) C4'-P energy: -67.525 bonds (distance) P-C4' energy: -56.209 flat angles C4'-P-C4' energy: -78.073 flat angles P-C4'-P energy: -39.410 tors. eta vs tors. theta energy: -87.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1097.815241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.815241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.815241 (E_RNA) where: Base-Base interactions energy: -773.806 where: short stacking energy: -320.631 Base-Backbone interact. energy: -1.160 local terms energy: -322.848613 where: bonds (distance) C4'-P energy: -62.150 bonds (distance) P-C4' energy: -61.124 flat angles C4'-P-C4' energy: -66.885 flat angles P-C4'-P energy: -55.380 tors. eta vs tors. theta energy: -77.309 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: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -975.300724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.300724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.300724 (E_RNA) where: Base-Base interactions energy: -654.709 where: short stacking energy: -293.092 Base-Backbone interact. energy: -0.034 local terms energy: -320.558131 where: bonds (distance) C4'-P energy: -61.010 bonds (distance) P-C4' energy: -62.461 flat angles C4'-P-C4' energy: -72.738 flat angles P-C4'-P energy: -40.275 tors. eta vs tors. theta energy: -84.073 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -904.822377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.822377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.822377 (E_RNA) where: Base-Base interactions energy: -616.912 where: short stacking energy: -266.523 Base-Backbone interact. energy: -0.865 local terms energy: -287.045701 where: bonds (distance) C4'-P energy: -52.424 bonds (distance) P-C4' energy: -73.494 flat angles C4'-P-C4' energy: -59.980 flat angles P-C4'-P energy: -40.053 tors. eta vs tors. theta energy: -61.095 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: 5 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -863.304312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.304312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.304312 (E_RNA) where: Base-Base interactions energy: -603.683 where: short stacking energy: -246.131 Base-Backbone interact. energy: 0.356 local terms energy: -259.976824 where: bonds (distance) C4'-P energy: -46.320 bonds (distance) P-C4' energy: -54.109 flat angles C4'-P-C4' energy: -65.420 flat angles P-C4'-P energy: -41.249 tors. eta vs tors. theta energy: -52.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -549.580510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.580510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.580510 (E_RNA) where: Base-Base interactions energy: -337.859 where: short stacking energy: -165.150 Base-Backbone interact. energy: 0.211 local terms energy: -211.932169 where: bonds (distance) C4'-P energy: -64.055 bonds (distance) P-C4' energy: -60.001 flat angles C4'-P-C4' energy: -38.294 flat angles P-C4'-P energy: -31.143 tors. eta vs tors. theta energy: -18.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -497.291735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.291735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.291735 (E_RNA) where: Base-Base interactions energy: -274.669 where: short stacking energy: -159.948 Base-Backbone interact. energy: 0.434 local terms energy: -223.056623 where: bonds (distance) C4'-P energy: -57.908 bonds (distance) P-C4' energy: -67.389 flat angles C4'-P-C4' energy: -49.841 flat angles P-C4'-P energy: -26.987 tors. eta vs tors. theta energy: -20.932 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: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1263.715571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.715571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.715571 (E_RNA) where: Base-Base interactions energy: -896.464 where: short stacking energy: -378.457 Base-Backbone interact. energy: -1.478 local terms energy: -365.773544 where: bonds (distance) C4'-P energy: -68.055 bonds (distance) P-C4' energy: -65.428 flat angles C4'-P-C4' energy: -77.290 flat angles P-C4'-P energy: -58.289 tors. eta vs tors. theta energy: -96.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1260.897168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.897168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.897168 (E_RNA) where: Base-Base interactions energy: -897.470 where: short stacking energy: -347.759 Base-Backbone interact. energy: -2.591 local terms energy: -360.836419 where: bonds (distance) C4'-P energy: -78.940 bonds (distance) P-C4' energy: -67.124 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -49.547 tors. eta vs tors. theta energy: -90.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1209.302449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.302449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.302449 (E_RNA) where: Base-Base interactions energy: -836.394 where: short stacking energy: -340.441 Base-Backbone interact. energy: -0.424 local terms energy: -372.484145 where: bonds (distance) C4'-P energy: -69.347 bonds (distance) P-C4' energy: -70.767 flat angles C4'-P-C4' energy: -76.117 flat angles P-C4'-P energy: -54.695 tors. eta vs tors. theta energy: -101.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1162.347919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.347919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.347919 (E_RNA) where: Base-Base interactions energy: -805.614 where: short stacking energy: -328.226 Base-Backbone interact. energy: 1.507 local terms energy: -358.240805 where: bonds (distance) C4'-P energy: -75.249 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -81.610 flat angles P-C4'-P energy: -43.438 tors. eta vs tors. theta energy: -90.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1078.311581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.311581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.311581 (E_RNA) where: Base-Base interactions energy: -774.469 where: short stacking energy: -322.987 Base-Backbone interact. energy: 0.198 local terms energy: -304.040699 where: bonds (distance) C4'-P energy: -48.497 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -76.968 flat angles P-C4'-P energy: -44.819 tors. eta vs tors. theta energy: -75.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -955.218040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.218040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.218040 (E_RNA) where: Base-Base interactions energy: -680.427 where: short stacking energy: -290.688 Base-Backbone interact. energy: 0.899 local terms energy: -275.690410 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -55.379 flat angles C4'-P-C4' energy: -53.757 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: -76.149 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: 3 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -920.859176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.859176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.859176 (E_RNA) where: Base-Base interactions energy: -620.423 where: short stacking energy: -274.211 Base-Backbone interact. energy: -0.625 local terms energy: -299.810869 where: bonds (distance) C4'-P energy: -51.319 bonds (distance) P-C4' energy: -68.740 flat angles C4'-P-C4' energy: -67.482 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -67.280 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -860.775102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.775102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.775102 (E_RNA) where: Base-Base interactions energy: -602.876 where: short stacking energy: -236.194 Base-Backbone interact. energy: -0.532 local terms energy: -257.367451 where: bonds (distance) C4'-P energy: -48.243 bonds (distance) P-C4' energy: -61.455 flat angles C4'-P-C4' energy: -56.586 flat angles P-C4'-P energy: -40.774 tors. eta vs tors. theta energy: -50.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -544.694173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.694173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.694173 (E_RNA) where: Base-Base interactions energy: -318.422 where: short stacking energy: -165.913 Base-Backbone interact. energy: 0.637 local terms energy: -226.909114 where: bonds (distance) C4'-P energy: -45.394 bonds (distance) P-C4' energy: -67.927 flat angles C4'-P-C4' energy: -58.830 flat angles P-C4'-P energy: -36.058 tors. eta vs tors. theta energy: -18.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -509.016475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.016475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.016475 (E_RNA) where: Base-Base interactions energy: -281.785 where: short stacking energy: -157.926 Base-Backbone interact. energy: -1.329 local terms energy: -225.902429 where: bonds (distance) C4'-P energy: -52.694 bonds (distance) P-C4' energy: -67.947 flat angles C4'-P-C4' energy: -52.400 flat angles P-C4'-P energy: -34.905 tors. eta vs tors. theta energy: -17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1276.944913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.944913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.944913 (E_RNA) where: Base-Base interactions energy: -908.656 where: short stacking energy: -373.748 Base-Backbone interact. energy: -3.432 local terms energy: -364.856798 where: bonds (distance) C4'-P energy: -75.275 bonds (distance) P-C4' energy: -66.446 flat angles C4'-P-C4' energy: -76.653 flat angles P-C4'-P energy: -50.361 tors. eta vs tors. theta energy: -96.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1249.021302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.021302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.021302 (E_RNA) where: Base-Base interactions energy: -873.427 where: short stacking energy: -384.160 Base-Backbone interact. energy: -1.247 local terms energy: -374.347138 where: bonds (distance) C4'-P energy: -72.069 bonds (distance) P-C4' energy: -59.592 flat angles C4'-P-C4' energy: -79.905 flat angles P-C4'-P energy: -56.415 tors. eta vs tors. theta energy: -106.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1200.460992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.460992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.460992 (E_RNA) where: Base-Base interactions energy: -844.398 where: short stacking energy: -345.809 Base-Backbone interact. energy: -0.935 local terms energy: -355.128848 where: bonds (distance) C4'-P energy: -71.096 bonds (distance) P-C4' energy: -66.116 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -46.827 tors. eta vs tors. theta energy: -95.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1146.356195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.356195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.356195 (E_RNA) where: Base-Base interactions energy: -805.336 where: short stacking energy: -339.734 Base-Backbone interact. energy: 1.042 local terms energy: -342.063112 where: bonds (distance) C4'-P energy: -71.991 bonds (distance) P-C4' energy: -64.137 flat angles C4'-P-C4' energy: -73.646 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -94.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1056.166524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.166524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.166524 (E_RNA) where: Base-Base interactions energy: -760.962 where: short stacking energy: -311.764 Base-Backbone interact. energy: -1.576 local terms energy: -293.629059 where: bonds (distance) C4'-P energy: -47.517 bonds (distance) P-C4' energy: -59.779 flat angles C4'-P-C4' energy: -66.031 flat angles P-C4'-P energy: -48.543 tors. eta vs tors. theta energy: -71.759 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: 10 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -973.434810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.434810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.434810 (E_RNA) where: Base-Base interactions energy: -660.829 where: short stacking energy: -279.427 Base-Backbone interact. energy: -2.220 local terms energy: -310.385741 where: bonds (distance) C4'-P energy: -56.740 bonds (distance) P-C4' energy: -68.131 flat angles C4'-P-C4' energy: -71.467 flat angles P-C4'-P energy: -43.457 tors. eta vs tors. theta energy: -70.590 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: 3 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -929.298692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.298692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.298692 (E_RNA) where: Base-Base interactions energy: -619.371 where: short stacking energy: -291.410 Base-Backbone interact. energy: 0.712 local terms energy: -310.638732 where: bonds (distance) C4'-P energy: -55.259 bonds (distance) P-C4' energy: -63.424 flat angles C4'-P-C4' energy: -71.703 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -74.781 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: 158 Temperature: 1.250000 Total energy: -825.408098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.408098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.408098 (E_RNA) where: Base-Base interactions energy: -566.989 where: short stacking energy: -233.689 Base-Backbone interact. energy: -1.338 local terms energy: -257.081375 where: bonds (distance) C4'-P energy: -40.655 bonds (distance) P-C4' energy: -70.018 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -42.326 tors. eta vs tors. theta energy: -44.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -545.781751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.781751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.781751 (E_RNA) where: Base-Base interactions energy: -333.738 where: short stacking energy: -162.326 Base-Backbone interact. energy: -0.776 local terms energy: -211.268089 where: bonds (distance) C4'-P energy: -49.808 bonds (distance) P-C4' energy: -59.202 flat angles C4'-P-C4' energy: -53.262 flat angles P-C4'-P energy: -27.462 tors. eta vs tors. theta energy: -21.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -537.321958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.321958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.321958 (E_RNA) where: Base-Base interactions energy: -316.513 where: short stacking energy: -162.767 Base-Backbone interact. energy: -1.221 local terms energy: -219.587319 where: bonds (distance) C4'-P energy: -50.734 bonds (distance) P-C4' energy: -61.925 flat angles C4'-P-C4' energy: -60.799 flat angles P-C4'-P energy: -23.038 tors. eta vs tors. theta energy: -23.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1274.564042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.564042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.564042 (E_RNA) where: Base-Base interactions energy: -908.942 where: short stacking energy: -378.860 Base-Backbone interact. energy: -1.315 local terms energy: -364.307306 where: bonds (distance) C4'-P energy: -67.298 bonds (distance) P-C4' energy: -67.023 flat angles C4'-P-C4' energy: -80.011 flat angles P-C4'-P energy: -53.762 tors. eta vs tors. theta energy: -96.213 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: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1256.907398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.907398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.907398 (E_RNA) where: Base-Base interactions energy: -888.656 where: short stacking energy: -385.147 Base-Backbone interact. energy: -2.024 local terms energy: -366.227243 where: bonds (distance) C4'-P energy: -59.808 bonds (distance) P-C4' energy: -64.681 flat angles C4'-P-C4' energy: -84.348 flat angles P-C4'-P energy: -52.281 tors. eta vs tors. theta energy: -105.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1205.434587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.434587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.434587 (E_RNA) where: Base-Base interactions energy: -847.113 where: short stacking energy: -349.224 Base-Backbone interact. energy: -0.680 local terms energy: -357.641545 where: bonds (distance) C4'-P energy: -72.910 bonds (distance) P-C4' energy: -65.702 flat angles C4'-P-C4' energy: -70.932 flat angles P-C4'-P energy: -50.136 tors. eta vs tors. theta energy: -97.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1114.896163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.896163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.896163 (E_RNA) where: Base-Base interactions energy: -787.115 where: short stacking energy: -330.650 Base-Backbone interact. energy: -0.696 local terms energy: -327.085211 where: bonds (distance) C4'-P energy: -59.812 bonds (distance) P-C4' energy: -69.690 flat angles C4'-P-C4' energy: -76.223 flat angles P-C4'-P energy: -45.459 tors. eta vs tors. theta energy: -75.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1028.890544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.890544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.890544 (E_RNA) where: Base-Base interactions energy: -713.514 where: short stacking energy: -308.798 Base-Backbone interact. energy: -2.090 local terms energy: -313.286156 where: bonds (distance) C4'-P energy: -56.511 bonds (distance) P-C4' energy: -73.202 flat angles C4'-P-C4' energy: -71.024 flat angles P-C4'-P energy: -47.148 tors. eta vs tors. theta energy: -65.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -979.111693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.111693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.111693 (E_RNA) where: Base-Base interactions energy: -667.327 where: short stacking energy: -306.851 Base-Backbone interact. energy: -1.355 local terms energy: -310.429845 where: bonds (distance) C4'-P energy: -63.386 bonds (distance) P-C4' energy: -65.157 flat angles C4'-P-C4' energy: -54.626 flat angles P-C4'-P energy: -54.178 tors. eta vs tors. theta energy: -73.084 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: 3 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -912.135135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.135135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.135135 (E_RNA) where: Base-Base interactions energy: -620.844 where: short stacking energy: -267.549 Base-Backbone interact. energy: 0.125 local terms energy: -291.416213 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -64.423 flat angles C4'-P-C4' energy: -73.300 flat angles P-C4'-P energy: -28.932 tors. eta vs tors. theta energy: -69.612 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: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -863.454097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.454097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.454097 (E_RNA) where: Base-Base interactions energy: -553.296 where: short stacking energy: -239.932 Base-Backbone interact. energy: -1.601 local terms energy: -308.557718 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -70.231 flat angles P-C4'-P energy: -44.290 tors. eta vs tors. theta energy: -64.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -556.779815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.779815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.779815 (E_RNA) where: Base-Base interactions energy: -316.024 where: short stacking energy: -159.821 Base-Backbone interact. energy: 1.282 local terms energy: -242.037565 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -69.827 flat angles C4'-P-C4' energy: -59.216 flat angles P-C4'-P energy: -25.754 tors. eta vs tors. theta energy: -26.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -514.890249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.890249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.890249 (E_RNA) where: Base-Base interactions energy: -297.655 where: short stacking energy: -155.587 Base-Backbone interact. energy: -0.735 local terms energy: -216.499850 where: bonds (distance) C4'-P energy: -55.064 bonds (distance) P-C4' energy: -64.739 flat angles C4'-P-C4' energy: -51.430 flat angles P-C4'-P energy: -32.871 tors. eta vs tors. theta energy: -12.396 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: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1269.960016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.960016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.960016 (E_RNA) where: Base-Base interactions energy: -897.569 where: short stacking energy: -352.193 Base-Backbone interact. energy: 2.460 local terms energy: -374.851490 where: bonds (distance) C4'-P energy: -72.970 bonds (distance) P-C4' energy: -80.975 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -56.066 tors. eta vs tors. theta energy: -88.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1264.520234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.520234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.520234 (E_RNA) where: Base-Base interactions energy: -906.271 where: short stacking energy: -382.304 Base-Backbone interact. energy: 1.965 local terms energy: -360.214009 where: bonds (distance) C4'-P energy: -68.060 bonds (distance) P-C4' energy: -59.461 flat angles C4'-P-C4' energy: -81.876 flat angles P-C4'-P energy: -39.827 tors. eta vs tors. theta energy: -110.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1144.335934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.335934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.335934 (E_RNA) where: Base-Base interactions energy: -798.339 where: short stacking energy: -355.657 Base-Backbone interact. energy: -2.036 local terms energy: -343.960426 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -55.240 tors. eta vs tors. theta energy: -91.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1171.852864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.852864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.852864 (E_RNA) where: Base-Base interactions energy: -838.293 where: short stacking energy: -359.822 Base-Backbone interact. energy: -0.292 local terms energy: -333.267792 where: bonds (distance) C4'-P energy: -50.753 bonds (distance) P-C4' energy: -52.853 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -45.548 tors. eta vs tors. theta energy: -109.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1023.935331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.935331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.935331 (E_RNA) where: Base-Base interactions energy: -707.830 where: short stacking energy: -304.752 Base-Backbone interact. energy: -1.652 local terms energy: -314.453086 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -57.185 flat angles C4'-P-C4' energy: -68.321 flat angles P-C4'-P energy: -34.986 tors. eta vs tors. theta energy: -84.100 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: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -984.115573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.115573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.115573 (E_RNA) where: Base-Base interactions energy: -673.625 where: short stacking energy: -276.961 Base-Backbone interact. energy: -1.732 local terms energy: -308.757986 where: bonds (distance) C4'-P energy: -63.359 bonds (distance) P-C4' energy: -62.363 flat angles C4'-P-C4' energy: -67.296 flat angles P-C4'-P energy: -49.917 tors. eta vs tors. theta energy: -65.824 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: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -902.640625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.640625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.640625 (E_RNA) where: Base-Base interactions energy: -624.994 where: short stacking energy: -277.722 Base-Backbone interact. energy: 1.861 local terms energy: -279.507155 where: bonds (distance) C4'-P energy: -48.301 bonds (distance) P-C4' energy: -60.414 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -63.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -899.794736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.794736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.794736 (E_RNA) where: Base-Base interactions energy: -617.471 where: short stacking energy: -283.479 Base-Backbone interact. energy: -1.498 local terms energy: -280.825780 where: bonds (distance) C4'-P energy: -56.339 bonds (distance) P-C4' energy: -53.863 flat angles C4'-P-C4' energy: -67.332 flat angles P-C4'-P energy: -26.098 tors. eta vs tors. theta energy: -77.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -591.680332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.680332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.680332 (E_RNA) where: Base-Base interactions energy: -366.465 where: short stacking energy: -183.944 Base-Backbone interact. energy: -0.577 local terms energy: -224.638516 where: bonds (distance) C4'-P energy: -49.681 bonds (distance) P-C4' energy: -66.561 flat angles C4'-P-C4' energy: -56.168 flat angles P-C4'-P energy: -22.860 tors. eta vs tors. theta energy: -29.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -572.664163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.664163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.664163 (E_RNA) where: Base-Base interactions energy: -335.298 where: short stacking energy: -192.421 Base-Backbone interact. energy: 1.903 local terms energy: -239.269177 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -46.695 flat angles C4'-P-C4' energy: -58.578 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -34.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1283.207848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.207848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.207848 (E_RNA) where: Base-Base interactions energy: -921.409 where: short stacking energy: -371.513 Base-Backbone interact. energy: -0.758 local terms energy: -361.040770 where: bonds (distance) C4'-P energy: -68.801 bonds (distance) P-C4' energy: -70.677 flat angles C4'-P-C4' energy: -76.632 flat angles P-C4'-P energy: -47.608 tors. eta vs tors. theta energy: -97.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1256.207373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.207373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.207373 (E_RNA) where: Base-Base interactions energy: -883.874 where: short stacking energy: -375.941 Base-Backbone interact. energy: -0.293 local terms energy: -372.040489 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -73.618 flat angles C4'-P-C4' energy: -75.122 flat angles P-C4'-P energy: -53.612 tors. eta vs tors. theta energy: -108.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1125.346640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.346640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.346640 (E_RNA) where: Base-Base interactions energy: -800.995 where: short stacking energy: -346.220 Base-Backbone interact. energy: 0.375 local terms energy: -324.726839 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -57.313 flat angles C4'-P-C4' energy: -75.372 flat angles P-C4'-P energy: -49.799 tors. eta vs tors. theta energy: -83.772 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: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1166.224577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.224577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.224577 (E_RNA) where: Base-Base interactions energy: -819.426 where: short stacking energy: -339.890 Base-Backbone interact. energy: -0.535 local terms energy: -346.264046 where: bonds (distance) C4'-P energy: -62.947 bonds (distance) P-C4' energy: -73.786 flat angles C4'-P-C4' energy: -64.529 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -101.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1012.753140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.753140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.753140 (E_RNA) where: Base-Base interactions energy: -693.929 where: short stacking energy: -303.081 Base-Backbone interact. energy: -0.904 local terms energy: -317.920087 where: bonds (distance) C4'-P energy: -68.614 bonds (distance) P-C4' energy: -73.444 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -31.987 tors. eta vs tors. theta energy: -74.162 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: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -975.519495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.519495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.519495 (E_RNA) where: Base-Base interactions energy: -676.969 where: short stacking energy: -289.872 Base-Backbone interact. energy: -0.425 local terms energy: -298.125883 where: bonds (distance) C4'-P energy: -67.339 bonds (distance) P-C4' energy: -54.696 flat angles C4'-P-C4' energy: -60.500 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -72.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -911.641125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.641125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.641125 (E_RNA) where: Base-Base interactions energy: -624.482 where: short stacking energy: -268.666 Base-Backbone interact. energy: -0.682 local terms energy: -286.477263 where: bonds (distance) C4'-P energy: -63.148 bonds (distance) P-C4' energy: -59.046 flat angles C4'-P-C4' energy: -65.998 flat angles P-C4'-P energy: -38.706 tors. eta vs tors. theta energy: -59.580 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: 161 Temperature: 1.250000 Total energy: -859.493981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.493981 (E_RNA) where: Base-Base interactions energy: -581.923 where: short stacking energy: -253.021 Base-Backbone interact. energy: -0.673 local terms energy: -276.898683 where: bonds (distance) C4'-P energy: -56.059 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -34.238 tors. eta vs tors. theta energy: -61.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -592.665354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.665354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.665354 (E_RNA) where: Base-Base interactions energy: -321.868 where: short stacking energy: -157.412 Base-Backbone interact. energy: -0.885 local terms energy: -269.911547 where: bonds (distance) C4'-P energy: -71.937 bonds (distance) P-C4' energy: -61.652 flat angles C4'-P-C4' energy: -65.399 flat angles P-C4'-P energy: -43.135 tors. eta vs tors. theta energy: -27.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -557.788696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.788696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.788696 (E_RNA) where: Base-Base interactions energy: -354.268 where: short stacking energy: -160.042 Base-Backbone interact. energy: 2.194 local terms energy: -205.714563 where: bonds (distance) C4'-P energy: -56.304 bonds (distance) P-C4' energy: -56.773 flat angles C4'-P-C4' energy: -42.692 flat angles P-C4'-P energy: -31.596 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1303.447771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.447771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.447771 (E_RNA) where: Base-Base interactions energy: -929.629 where: short stacking energy: -383.428 Base-Backbone interact. energy: -2.131 local terms energy: -371.688006 where: bonds (distance) C4'-P energy: -67.076 bonds (distance) P-C4' energy: -71.452 flat angles C4'-P-C4' energy: -87.438 flat angles P-C4'-P energy: -42.150 tors. eta vs tors. theta energy: -103.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1251.884829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.884829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.884829 (E_RNA) where: Base-Base interactions energy: -871.943 where: short stacking energy: -368.287 Base-Backbone interact. energy: 2.204 local terms energy: -382.145370 where: bonds (distance) C4'-P energy: -60.957 bonds (distance) P-C4' energy: -70.455 flat angles C4'-P-C4' energy: -77.120 flat angles P-C4'-P energy: -61.746 tors. eta vs tors. theta energy: -111.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1146.437453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.437453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.437453 (E_RNA) where: Base-Base interactions energy: -806.784 where: short stacking energy: -336.544 Base-Backbone interact. energy: -2.089 local terms energy: -337.564086 where: bonds (distance) C4'-P energy: -73.914 bonds (distance) P-C4' energy: -61.687 flat angles C4'-P-C4' energy: -71.250 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -89.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1131.932531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.932531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.932531 (E_RNA) where: Base-Base interactions energy: -792.050 where: short stacking energy: -318.658 Base-Backbone interact. energy: -0.359 local terms energy: -339.523511 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -66.139 flat angles C4'-P-C4' energy: -72.733 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -91.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1003.086583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.086583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.086583 (E_RNA) where: Base-Base interactions energy: -693.439 where: short stacking energy: -296.987 Base-Backbone interact. energy: -0.871 local terms energy: -308.777008 where: bonds (distance) C4'-P energy: -60.723 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -47.112 tors. eta vs tors. theta energy: -61.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -980.401116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.401116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.401116 (E_RNA) where: Base-Base interactions energy: -692.507 where: short stacking energy: -292.081 Base-Backbone interact. energy: -0.365 local terms energy: -287.528851 where: bonds (distance) C4'-P energy: -57.458 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -66.073 flat angles P-C4'-P energy: -37.526 tors. eta vs tors. theta energy: -71.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -879.903608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.903608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.903608 (E_RNA) where: Base-Base interactions energy: -589.112 where: short stacking energy: -260.703 Base-Backbone interact. energy: -1.333 local terms energy: -289.458693 where: bonds (distance) C4'-P energy: -54.644 bonds (distance) P-C4' energy: -57.267 flat angles C4'-P-C4' energy: -63.447 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -72.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -885.593530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.593530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.593530 (E_RNA) where: Base-Base interactions energy: -600.011 where: short stacking energy: -254.534 Base-Backbone interact. energy: -1.321 local terms energy: -284.261195 where: bonds (distance) C4'-P energy: -46.167 bonds (distance) P-C4' energy: -61.398 flat angles C4'-P-C4' energy: -80.458 flat angles P-C4'-P energy: -40.668 tors. eta vs tors. theta energy: -55.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -603.159653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.159653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.159653 (E_RNA) where: Base-Base interactions energy: -360.784 where: short stacking energy: -184.282 Base-Backbone interact. energy: -0.601 local terms energy: -241.775033 where: bonds (distance) C4'-P energy: -63.115 bonds (distance) P-C4' energy: -63.185 flat angles C4'-P-C4' energy: -49.828 flat angles P-C4'-P energy: -38.468 tors. eta vs tors. theta energy: -27.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -515.019155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.019155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.019155 (E_RNA) where: Base-Base interactions energy: -297.650 where: short stacking energy: -145.211 Base-Backbone interact. energy: 1.485 local terms energy: -218.854399 where: bonds (distance) C4'-P energy: -56.534 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -51.217 flat angles P-C4'-P energy: -23.822 tors. eta vs tors. theta energy: -25.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1288.040864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.040864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.040864 (E_RNA) where: Base-Base interactions energy: -922.001 where: short stacking energy: -374.895 Base-Backbone interact. energy: 0.823 local terms energy: -366.863306 where: bonds (distance) C4'-P energy: -70.647 bonds (distance) P-C4' energy: -71.256 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -53.475 tors. eta vs tors. theta energy: -93.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1259.924014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.924014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.924014 (E_RNA) where: Base-Base interactions energy: -890.092 where: short stacking energy: -393.696 Base-Backbone interact. energy: 2.750 local terms energy: -372.582283 where: bonds (distance) C4'-P energy: -62.358 bonds (distance) P-C4' energy: -68.136 flat angles C4'-P-C4' energy: -73.149 flat angles P-C4'-P energy: -54.168 tors. eta vs tors. theta energy: -114.772 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: 8 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1153.816616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.816616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.816616 (E_RNA) where: Base-Base interactions energy: -815.437 where: short stacking energy: -349.697 Base-Backbone interact. energy: -1.645 local terms energy: -336.734515 where: bonds (distance) C4'-P energy: -58.861 bonds (distance) P-C4' energy: -54.102 flat angles C4'-P-C4' energy: -77.791 flat angles P-C4'-P energy: -50.668 tors. eta vs tors. theta energy: -95.311 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: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1137.609811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.609811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.609811 (E_RNA) where: Base-Base interactions energy: -800.369 where: short stacking energy: -325.017 Base-Backbone interact. energy: -0.853 local terms energy: -336.387289 where: bonds (distance) C4'-P energy: -68.531 bonds (distance) P-C4' energy: -74.242 flat angles C4'-P-C4' energy: -67.341 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -80.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1040.056461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.056461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.056461 (E_RNA) where: Base-Base interactions energy: -713.048 where: short stacking energy: -279.182 Base-Backbone interact. energy: -3.459 local terms energy: -323.549246 where: bonds (distance) C4'-P energy: -59.147 bonds (distance) P-C4' energy: -73.958 flat angles C4'-P-C4' energy: -66.683 flat angles P-C4'-P energy: -50.518 tors. eta vs tors. theta energy: -73.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -936.807392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.807392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.807392 (E_RNA) where: Base-Base interactions energy: -632.147 where: short stacking energy: -293.056 Base-Backbone interact. energy: 1.761 local terms energy: -306.421396 where: bonds (distance) C4'-P energy: -58.399 bonds (distance) P-C4' energy: -56.358 flat angles C4'-P-C4' energy: -66.680 flat angles P-C4'-P energy: -42.677 tors. eta vs tors. theta energy: -82.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -973.499883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.499883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.499883 (E_RNA) where: Base-Base interactions energy: -671.395 where: short stacking energy: -302.893 Base-Backbone interact. energy: -1.197 local terms energy: -300.907400 where: bonds (distance) C4'-P energy: -49.044 bonds (distance) P-C4' energy: -67.634 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -41.276 tors. eta vs tors. theta energy: -71.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -878.804430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.804430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.804430 (E_RNA) where: Base-Base interactions energy: -597.933 where: short stacking energy: -255.042 Base-Backbone interact. energy: -1.421 local terms energy: -279.451032 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -64.013 flat angles P-C4'-P energy: -29.325 tors. eta vs tors. theta energy: -67.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -589.033196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.033196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.033196 (E_RNA) where: Base-Base interactions energy: -347.974 where: short stacking energy: -158.027 Base-Backbone interact. energy: -1.882 local terms energy: -239.177550 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -57.727 flat angles P-C4'-P energy: -42.937 tors. eta vs tors. theta energy: -18.683 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: 10, replica: 1 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -500.346127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.346127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.346127 (E_RNA) where: Base-Base interactions energy: -301.602 where: short stacking energy: -175.575 Base-Backbone interact. energy: -1.257 local terms energy: -197.487282 where: bonds (distance) C4'-P energy: -50.518 bonds (distance) P-C4' energy: -45.956 flat angles C4'-P-C4' energy: -49.360 flat angles P-C4'-P energy: -28.539 tors. eta vs tors. theta energy: -23.114 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: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1287.414299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.414299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.414299 (E_RNA) where: Base-Base interactions energy: -923.342 where: short stacking energy: -373.910 Base-Backbone interact. energy: -1.965 local terms energy: -362.107076 where: bonds (distance) C4'-P energy: -71.586 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -80.980 flat angles P-C4'-P energy: -44.980 tors. eta vs tors. theta energy: -99.218 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: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1265.393370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.393370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.393370 (E_RNA) where: Base-Base interactions energy: -893.401 where: short stacking energy: -403.827 Base-Backbone interact. energy: -1.174 local terms energy: -370.818599 where: bonds (distance) C4'-P energy: -72.348 bonds (distance) P-C4' energy: -61.863 flat angles C4'-P-C4' energy: -79.001 flat angles P-C4'-P energy: -48.650 tors. eta vs tors. theta energy: -108.956 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: 164 Temperature: 1.000000 Total energy: -1182.162572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.162572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.162572 (E_RNA) where: Base-Base interactions energy: -823.388 where: short stacking energy: -348.866 Base-Backbone interact. energy: 0.609 local terms energy: -359.384449 where: bonds (distance) C4'-P energy: -75.677 bonds (distance) P-C4' energy: -63.840 flat angles C4'-P-C4' energy: -72.862 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -96.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1116.017869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.017869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.017869 (E_RNA) where: Base-Base interactions energy: -798.006 where: short stacking energy: -337.950 Base-Backbone interact. energy: 0.386 local terms energy: -318.398117 where: bonds (distance) C4'-P energy: -49.514 bonds (distance) P-C4' energy: -63.085 flat angles C4'-P-C4' energy: -71.506 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -85.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1056.776608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.776608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.776608 (E_RNA) where: Base-Base interactions energy: -748.819 where: short stacking energy: -297.573 Base-Backbone interact. energy: 2.552 local terms energy: -310.510285 where: bonds (distance) C4'-P energy: -55.774 bonds (distance) P-C4' energy: -64.138 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -44.068 tors. eta vs tors. theta energy: -75.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -903.149401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.149401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.149401 (E_RNA) where: Base-Base interactions energy: -607.666 where: short stacking energy: -279.528 Base-Backbone interact. energy: -0.760 local terms energy: -294.722917 where: bonds (distance) C4'-P energy: -66.482 bonds (distance) P-C4' energy: -55.607 flat angles C4'-P-C4' energy: -62.873 flat angles P-C4'-P energy: -41.472 tors. eta vs tors. theta energy: -68.289 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: 10 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -989.082290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.082290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.082290 (E_RNA) where: Base-Base interactions energy: -684.683 where: short stacking energy: -295.792 Base-Backbone interact. energy: 0.080 local terms energy: -304.479037 where: bonds (distance) C4'-P energy: -53.844 bonds (distance) P-C4' energy: -57.914 flat angles C4'-P-C4' energy: -78.720 flat angles P-C4'-P energy: -50.311 tors. eta vs tors. theta energy: -63.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -879.666340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.666340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.666340 (E_RNA) where: Base-Base interactions energy: -602.930 where: short stacking energy: -250.080 Base-Backbone interact. energy: -0.480 local terms energy: -276.255709 where: bonds (distance) C4'-P energy: -53.230 bonds (distance) P-C4' energy: -73.862 flat angles C4'-P-C4' energy: -59.116 flat angles P-C4'-P energy: -38.878 tors. eta vs tors. theta energy: -51.171 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: 1 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -536.819681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.819681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.819681 (E_RNA) where: Base-Base interactions energy: -303.242 where: short stacking energy: -156.092 Base-Backbone interact. energy: -1.733 local terms energy: -231.844233 where: bonds (distance) C4'-P energy: -56.988 bonds (distance) P-C4' energy: -56.395 flat angles C4'-P-C4' energy: -53.675 flat angles P-C4'-P energy: -42.905 tors. eta vs tors. theta energy: -21.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -538.423582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.423582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.423582 (E_RNA) where: Base-Base interactions energy: -336.030 where: short stacking energy: -165.171 Base-Backbone interact. energy: -1.312 local terms energy: -201.081260 where: bonds (distance) C4'-P energy: -41.986 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -59.506 flat angles P-C4'-P energy: -23.802 tors. eta vs tors. theta energy: -16.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1301.161447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.161447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.161447 (E_RNA) where: Base-Base interactions energy: -935.974 where: short stacking energy: -370.812 Base-Backbone interact. energy: 0.165 local terms energy: -365.352222 where: bonds (distance) C4'-P energy: -68.884 bonds (distance) P-C4' energy: -71.294 flat angles C4'-P-C4' energy: -70.885 flat angles P-C4'-P energy: -57.181 tors. eta vs tors. theta energy: -97.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1241.179785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.179785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.179785 (E_RNA) where: Base-Base interactions energy: -857.938 where: short stacking energy: -359.665 Base-Backbone interact. energy: -1.364 local terms energy: -381.877765 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -79.951 flat angles P-C4'-P energy: -47.412 tors. eta vs tors. theta energy: -113.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1205.679552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.679552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.679552 (E_RNA) where: Base-Base interactions energy: -832.071 where: short stacking energy: -368.606 Base-Backbone interact. energy: 0.352 local terms energy: -373.961468 where: bonds (distance) C4'-P energy: -70.346 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -79.787 flat angles P-C4'-P energy: -52.856 tors. eta vs tors. theta energy: -106.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1130.617334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.617334 (E_RNA) where: Base-Base interactions energy: -795.931 where: short stacking energy: -341.461 Base-Backbone interact. energy: -0.688 local terms energy: -333.998305 where: bonds (distance) C4'-P energy: -63.286 bonds (distance) P-C4' energy: -70.847 flat angles C4'-P-C4' energy: -71.450 flat angles P-C4'-P energy: -46.803 tors. eta vs tors. theta energy: -81.613 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: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1018.686189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.686189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.686189 (E_RNA) where: Base-Base interactions energy: -725.235 where: short stacking energy: -297.057 Base-Backbone interact. energy: -0.410 local terms energy: -293.040539 where: bonds (distance) C4'-P energy: -53.640 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -59.111 flat angles P-C4'-P energy: -44.802 tors. eta vs tors. theta energy: -71.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1010.105715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.105715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.105715 (E_RNA) where: Base-Base interactions energy: -704.664 where: short stacking energy: -294.462 Base-Backbone interact. energy: -0.268 local terms energy: -305.174123 where: bonds (distance) C4'-P energy: -62.893 bonds (distance) P-C4' energy: -68.416 flat angles C4'-P-C4' energy: -55.439 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: -79.712 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: 3 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -870.416717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.416717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.416717 (E_RNA) where: Base-Base interactions energy: -587.605 where: short stacking energy: -249.735 Base-Backbone interact. energy: -2.006 local terms energy: -280.806680 where: bonds (distance) C4'-P energy: -50.962 bonds (distance) P-C4' energy: -59.057 flat angles C4'-P-C4' energy: -65.559 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -66.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -872.140909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.140909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.140909 (E_RNA) where: Base-Base interactions energy: -579.495 where: short stacking energy: -243.336 Base-Backbone interact. energy: -1.456 local terms energy: -291.189733 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -61.237 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -57.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -536.815626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.815626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.815626 (E_RNA) where: Base-Base interactions energy: -315.558 where: short stacking energy: -170.621 Base-Backbone interact. energy: 0.128 local terms energy: -221.385177 where: bonds (distance) C4'-P energy: -54.781 bonds (distance) P-C4' energy: -58.739 flat angles C4'-P-C4' energy: -55.166 flat angles P-C4'-P energy: -32.848 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -537.323554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.323554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.323554 (E_RNA) where: Base-Base interactions energy: -319.737 where: short stacking energy: -153.854 Base-Backbone interact. energy: -1.750 local terms energy: -215.837017 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -66.152 flat angles C4'-P-C4' energy: -47.136 flat angles P-C4'-P energy: -34.251 tors. eta vs tors. theta energy: -17.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1282.044985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.044985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.044985 (E_RNA) where: Base-Base interactions energy: -909.334 where: short stacking energy: -366.371 Base-Backbone interact. energy: -1.139 local terms energy: -371.572083 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -71.830 flat angles C4'-P-C4' energy: -74.149 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -96.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1250.069185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.069185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.069185 (E_RNA) where: Base-Base interactions energy: -883.163 where: short stacking energy: -389.348 Base-Backbone interact. energy: 0.748 local terms energy: -367.654565 where: bonds (distance) C4'-P energy: -67.377 bonds (distance) P-C4' energy: -58.966 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -110.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1190.789521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.789521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.789521 (E_RNA) where: Base-Base interactions energy: -837.025 where: short stacking energy: -363.296 Base-Backbone interact. energy: -0.927 local terms energy: -352.837749 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -64.491 flat angles C4'-P-C4' energy: -73.678 flat angles P-C4'-P energy: -49.444 tors. eta vs tors. theta energy: -106.780 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: 8 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1127.513559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.513559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.513559 (E_RNA) where: Base-Base interactions energy: -802.933 where: short stacking energy: -334.868 Base-Backbone interact. energy: -1.959 local terms energy: -322.622119 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -67.075 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -44.324 tors. eta vs tors. theta energy: -82.561 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: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1022.523091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.523091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.523091 (E_RNA) where: Base-Base interactions energy: -721.417 where: short stacking energy: -295.197 Base-Backbone interact. energy: -1.191 local terms energy: -299.915086 where: bonds (distance) C4'-P energy: -62.751 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -69.898 flat angles P-C4'-P energy: -36.027 tors. eta vs tors. theta energy: -59.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1012.693247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.693247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.693247 (E_RNA) where: Base-Base interactions energy: -715.124 where: short stacking energy: -289.977 Base-Backbone interact. energy: -0.443 local terms energy: -297.126441 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -60.107 flat angles C4'-P-C4' energy: -64.448 flat angles P-C4'-P energy: -47.626 tors. eta vs tors. theta energy: -64.345 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: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -919.969227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.969227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.969227 (E_RNA) where: Base-Base interactions energy: -638.707 where: short stacking energy: -259.913 Base-Backbone interact. energy: -1.534 local terms energy: -279.728843 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -65.885 flat angles P-C4'-P energy: -34.551 tors. eta vs tors. theta energy: -60.614 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: 166 Temperature: 1.250000 Total energy: -864.420236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.420236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.420236 (E_RNA) where: Base-Base interactions energy: -591.619 where: short stacking energy: -267.761 Base-Backbone interact. energy: -1.080 local terms energy: -271.721649 where: bonds (distance) C4'-P energy: -46.630 bonds (distance) P-C4' energy: -51.936 flat angles C4'-P-C4' energy: -59.442 flat angles P-C4'-P energy: -41.001 tors. eta vs tors. theta energy: -72.712 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: 1 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -527.224948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.224948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.224948 (E_RNA) where: Base-Base interactions energy: -316.136 where: short stacking energy: -157.031 Base-Backbone interact. energy: 2.398 local terms energy: -213.487002 where: bonds (distance) C4'-P energy: -49.020 bonds (distance) P-C4' energy: -46.014 flat angles C4'-P-C4' energy: -57.794 flat angles P-C4'-P energy: -36.207 tors. eta vs tors. theta energy: -24.452 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: 166 Temperature: 1.350000 Total energy: -458.178371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.178371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.178371 (E_RNA) where: Base-Base interactions energy: -259.875 where: short stacking energy: -148.240 Base-Backbone interact. energy: -2.423 local terms energy: -195.880216 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -47.716 flat angles C4'-P-C4' energy: -44.520 flat angles P-C4'-P energy: -38.693 tors. eta vs tors. theta energy: -9.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1288.270132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.270132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.270132 (E_RNA) where: Base-Base interactions energy: -915.991 where: short stacking energy: -372.332 Base-Backbone interact. energy: 1.877 local terms energy: -374.156367 where: bonds (distance) C4'-P energy: -72.524 bonds (distance) P-C4' energy: -68.943 flat angles C4'-P-C4' energy: -76.628 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -99.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1258.196294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.196294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.196294 (E_RNA) where: Base-Base interactions energy: -876.159 where: short stacking energy: -376.393 Base-Backbone interact. energy: -1.920 local terms energy: -380.116666 where: bonds (distance) C4'-P energy: -79.301 bonds (distance) P-C4' energy: -63.593 flat angles C4'-P-C4' energy: -82.824 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -106.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1218.201045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.201045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.201045 (E_RNA) where: Base-Base interactions energy: -865.166 where: short stacking energy: -348.704 Base-Backbone interact. energy: -0.378 local terms energy: -352.656634 where: bonds (distance) C4'-P energy: -56.684 bonds (distance) P-C4' energy: -72.005 flat angles C4'-P-C4' energy: -68.802 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -101.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1136.409409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.409409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.409409 (E_RNA) where: Base-Base interactions energy: -817.554 where: short stacking energy: -346.373 Base-Backbone interact. energy: 0.974 local terms energy: -319.829108 where: bonds (distance) C4'-P energy: -49.523 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -42.666 tors. eta vs tors. theta energy: -84.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1062.150801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.150801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.150801 (E_RNA) where: Base-Base interactions energy: -735.751 where: short stacking energy: -303.548 Base-Backbone interact. energy: -2.849 local terms energy: -323.550652 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -67.285 flat angles C4'-P-C4' energy: -78.616 flat angles P-C4'-P energy: -41.943 tors. eta vs tors. theta energy: -76.147 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: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1001.616161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.616161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.616161 (E_RNA) where: Base-Base interactions energy: -715.181 where: short stacking energy: -277.142 Base-Backbone interact. energy: -2.517 local terms energy: -283.918247 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -62.084 flat angles C4'-P-C4' energy: -62.072 flat angles P-C4'-P energy: -41.362 tors. eta vs tors. theta energy: -66.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -919.950190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.950190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.950190 (E_RNA) where: Base-Base interactions energy: -642.527 where: short stacking energy: -268.951 Base-Backbone interact. energy: -1.163 local terms energy: -276.259928 where: bonds (distance) C4'-P energy: -49.655 bonds (distance) P-C4' energy: -65.663 flat angles C4'-P-C4' energy: -59.559 flat angles P-C4'-P energy: -37.323 tors. eta vs tors. theta energy: -64.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -854.466091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.466091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.466091 (E_RNA) where: Base-Base interactions energy: -585.946 where: short stacking energy: -245.215 Base-Backbone interact. energy: -1.295 local terms energy: -267.225127 where: bonds (distance) C4'-P energy: -56.686 bonds (distance) P-C4' energy: -57.170 flat angles C4'-P-C4' energy: -60.048 flat angles P-C4'-P energy: -34.793 tors. eta vs tors. theta energy: -58.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -499.756004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.756004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.756004 (E_RNA) where: Base-Base interactions energy: -297.134 where: short stacking energy: -171.235 Base-Backbone interact. energy: -1.798 local terms energy: -200.823788 where: bonds (distance) C4'-P energy: -45.181 bonds (distance) P-C4' energy: -50.691 flat angles C4'-P-C4' energy: -58.411 flat angles P-C4'-P energy: -32.964 tors. eta vs tors. theta energy: -13.577 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: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -495.030668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.030668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.030668 (E_RNA) where: Base-Base interactions energy: -283.120 where: short stacking energy: -155.130 Base-Backbone interact. energy: -0.480 local terms energy: -211.430833 where: bonds (distance) C4'-P energy: -53.605 bonds (distance) P-C4' energy: -52.536 flat angles C4'-P-C4' energy: -46.988 flat angles P-C4'-P energy: -36.803 tors. eta vs tors. theta energy: -21.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1285.883647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.883647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.883647 (E_RNA) where: Base-Base interactions energy: -912.257 where: short stacking energy: -373.791 Base-Backbone interact. energy: -2.683 local terms energy: -370.944240 where: bonds (distance) C4'-P energy: -70.929 bonds (distance) P-C4' energy: -79.046 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -55.943 tors. eta vs tors. theta energy: -97.427 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: 168 Temperature: 0.950000 Total energy: -1252.899164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.899164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.899164 (E_RNA) where: Base-Base interactions energy: -880.787 where: short stacking energy: -378.265 Base-Backbone interact. energy: 1.065 local terms energy: -373.177402 where: bonds (distance) C4'-P energy: -68.940 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -77.979 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -102.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1220.676603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.676603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.676603 (E_RNA) where: Base-Base interactions energy: -857.630 where: short stacking energy: -352.600 Base-Backbone interact. energy: 0.524 local terms energy: -363.570754 where: bonds (distance) C4'-P energy: -73.211 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -73.162 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -102.563 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: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1125.018734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.018734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.018734 (E_RNA) where: Base-Base interactions energy: -786.086 where: short stacking energy: -338.681 Base-Backbone interact. energy: 1.066 local terms energy: -339.999009 where: bonds (distance) C4'-P energy: -62.773 bonds (distance) P-C4' energy: -65.942 flat angles C4'-P-C4' energy: -74.288 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -83.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1051.129379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.129379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.129379 (E_RNA) where: Base-Base interactions energy: -742.127 where: short stacking energy: -287.733 Base-Backbone interact. energy: 1.229 local terms energy: -310.231706 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -63.867 flat angles C4'-P-C4' energy: -70.642 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -74.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -963.565785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.565785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.565785 (E_RNA) where: Base-Base interactions energy: -642.703 where: short stacking energy: -283.735 Base-Backbone interact. energy: 1.500 local terms energy: -322.363588 where: bonds (distance) C4'-P energy: -62.833 bonds (distance) P-C4' energy: -64.331 flat angles C4'-P-C4' energy: -67.941 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -70.050 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: 168 Temperature: 1.200000 Total energy: -933.674537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.674537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.674537 (E_RNA) where: Base-Base interactions energy: -652.082 where: short stacking energy: -287.456 Base-Backbone interact. energy: -0.520 local terms energy: -281.072243 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -56.070 flat angles C4'-P-C4' energy: -59.510 flat angles P-C4'-P energy: -37.671 tors. eta vs tors. theta energy: -64.259 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: 168 Temperature: 1.250000 Total energy: -816.497622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.497622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.497622 (E_RNA) where: Base-Base interactions energy: -538.240 where: short stacking energy: -235.130 Base-Backbone interact. energy: -0.873 local terms energy: -277.384945 where: bonds (distance) C4'-P energy: -58.706 bonds (distance) P-C4' energy: -66.796 flat angles C4'-P-C4' energy: -67.139 flat angles P-C4'-P energy: -34.272 tors. eta vs tors. theta energy: -50.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -521.886000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.886000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.886000 (E_RNA) where: Base-Base interactions energy: -316.105 where: short stacking energy: -150.808 Base-Backbone interact. energy: 3.394 local terms energy: -209.175192 where: bonds (distance) C4'-P energy: -53.131 bonds (distance) P-C4' energy: -60.117 flat angles C4'-P-C4' energy: -60.437 flat angles P-C4'-P energy: -29.231 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -428.160142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.160142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.160142 (E_RNA) where: Base-Base interactions energy: -237.355 where: short stacking energy: -144.850 Base-Backbone interact. energy: -0.024 local terms energy: -190.780878 where: bonds (distance) C4'-P energy: -42.878 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -49.988 flat angles P-C4'-P energy: -25.269 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1285.735917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.735917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.735917 (E_RNA) where: Base-Base interactions energy: -926.973 where: short stacking energy: -383.365 Base-Backbone interact. energy: -1.883 local terms energy: -356.879590 where: bonds (distance) C4'-P energy: -59.202 bonds (distance) P-C4' energy: -75.658 flat angles C4'-P-C4' energy: -77.249 flat angles P-C4'-P energy: -50.785 tors. eta vs tors. theta energy: -93.986 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: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1241.674998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.674998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.674998 (E_RNA) where: Base-Base interactions energy: -866.371 where: short stacking energy: -359.309 Base-Backbone interact. energy: -1.681 local terms energy: -373.623542 where: bonds (distance) C4'-P energy: -69.644 bonds (distance) P-C4' energy: -71.488 flat angles C4'-P-C4' energy: -76.277 flat angles P-C4'-P energy: -51.213 tors. eta vs tors. theta energy: -105.002 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: 169 Temperature: 1.000000 Total energy: -1231.059848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.059848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.059848 (E_RNA) where: Base-Base interactions energy: -879.091 where: short stacking energy: -367.307 Base-Backbone interact. energy: -0.346 local terms energy: -351.623450 where: bonds (distance) C4'-P energy: -65.192 bonds (distance) P-C4' energy: -58.580 flat angles C4'-P-C4' energy: -77.175 flat angles P-C4'-P energy: -46.019 tors. eta vs tors. theta energy: -104.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1140.653949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.653949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.653949 (E_RNA) where: Base-Base interactions energy: -813.931 where: short stacking energy: -352.755 Base-Backbone interact. energy: -0.873 local terms energy: -325.849247 where: bonds (distance) C4'-P energy: -60.166 bonds (distance) P-C4' energy: -58.065 flat angles C4'-P-C4' energy: -76.017 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -86.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1069.313843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.313843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.313843 (E_RNA) where: Base-Base interactions energy: -750.010 where: short stacking energy: -308.574 Base-Backbone interact. energy: -1.931 local terms energy: -317.372287 where: bonds (distance) C4'-P energy: -56.458 bonds (distance) P-C4' energy: -60.700 flat angles C4'-P-C4' energy: -67.144 flat angles P-C4'-P energy: -48.507 tors. eta vs tors. theta energy: -84.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -994.853416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.853416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.853416 (E_RNA) where: Base-Base interactions energy: -681.711 where: short stacking energy: -296.956 Base-Backbone interact. energy: -0.224 local terms energy: -312.918712 where: bonds (distance) C4'-P energy: -65.053 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -46.196 tors. eta vs tors. theta energy: -75.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -935.871356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.871356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.871356 (E_RNA) where: Base-Base interactions energy: -629.199 where: short stacking energy: -273.703 Base-Backbone interact. energy: -1.441 local terms energy: -305.231676 where: bonds (distance) C4'-P energy: -51.514 bonds (distance) P-C4' energy: -67.443 flat angles C4'-P-C4' energy: -79.410 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -66.359 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: 3 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -848.148815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.148815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.148815 (E_RNA) where: Base-Base interactions energy: -564.181 where: short stacking energy: -258.133 Base-Backbone interact. energy: -0.361 local terms energy: -283.606260 where: bonds (distance) C4'-P energy: -44.042 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -68.728 flat angles P-C4'-P energy: -38.935 tors. eta vs tors. theta energy: -71.697 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: 2 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -531.389340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.389340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.389340 (E_RNA) where: Base-Base interactions energy: -304.434 where: short stacking energy: -176.120 Base-Backbone interact. energy: 0.066 local terms energy: -227.021660 where: bonds (distance) C4'-P energy: -62.244 bonds (distance) P-C4' energy: -59.682 flat angles C4'-P-C4' energy: -48.418 flat angles P-C4'-P energy: -32.052 tors. eta vs tors. theta energy: -24.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -459.262993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.262993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.262993 (E_RNA) where: Base-Base interactions energy: -250.030 where: short stacking energy: -144.229 Base-Backbone interact. energy: -1.904 local terms energy: -207.329577 where: bonds (distance) C4'-P energy: -71.431 bonds (distance) P-C4' energy: -56.706 flat angles C4'-P-C4' energy: -48.347 flat angles P-C4'-P energy: -24.949 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1294.135419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.135419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.135419 (E_RNA) where: Base-Base interactions energy: -926.532 where: short stacking energy: -378.888 Base-Backbone interact. energy: -2.828 local terms energy: -364.775520 where: bonds (distance) C4'-P energy: -66.016 bonds (distance) P-C4' energy: -80.924 flat angles C4'-P-C4' energy: -77.708 flat angles P-C4'-P energy: -48.957 tors. eta vs tors. theta energy: -91.169 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: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1221.404819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.404819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.404819 (E_RNA) where: Base-Base interactions energy: -864.927 where: short stacking energy: -366.168 Base-Backbone interact. energy: -1.614 local terms energy: -354.863312 where: bonds (distance) C4'-P energy: -70.584 bonds (distance) P-C4' energy: -70.486 flat angles C4'-P-C4' energy: -61.874 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -92.590 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: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1238.899501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.899501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.899501 (E_RNA) where: Base-Base interactions energy: -891.143 where: short stacking energy: -365.848 Base-Backbone interact. energy: -0.630 local terms energy: -347.126973 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -65.750 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -97.540 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: 8 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1122.119822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.119822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.119822 (E_RNA) where: Base-Base interactions energy: -794.342 where: short stacking energy: -342.609 Base-Backbone interact. energy: 0.014 local terms energy: -327.791797 where: bonds (distance) C4'-P energy: -59.068 bonds (distance) P-C4' energy: -56.630 flat angles C4'-P-C4' energy: -81.575 flat angles P-C4'-P energy: -42.927 tors. eta vs tors. theta energy: -87.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1075.562335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.562335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.562335 (E_RNA) where: Base-Base interactions energy: -753.381 where: short stacking energy: -313.704 Base-Backbone interact. energy: 2.000 local terms energy: -324.181870 where: bonds (distance) C4'-P energy: -51.943 bonds (distance) P-C4' energy: -70.470 flat angles C4'-P-C4' energy: -74.232 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -83.278 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: 6, replica: 10 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -970.492679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.492679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.492679 (E_RNA) where: Base-Base interactions energy: -657.120 where: short stacking energy: -282.814 Base-Backbone interact. energy: 1.239 local terms energy: -314.612180 where: bonds (distance) C4'-P energy: -54.218 bonds (distance) P-C4' energy: -59.672 flat angles C4'-P-C4' energy: -70.992 flat angles P-C4'-P energy: -51.667 tors. eta vs tors. theta energy: -78.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -913.091812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.091812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.091812 (E_RNA) where: Base-Base interactions energy: -592.320 where: short stacking energy: -263.765 Base-Backbone interact. energy: -2.873 local terms energy: -317.898520 where: bonds (distance) C4'-P energy: -65.756 bonds (distance) P-C4' energy: -75.790 flat angles C4'-P-C4' energy: -62.458 flat angles P-C4'-P energy: -52.866 tors. eta vs tors. theta energy: -61.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -911.797612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.797612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.797612 (E_RNA) where: Base-Base interactions energy: -645.419 where: short stacking energy: -264.356 Base-Backbone interact. energy: -1.949 local terms energy: -264.429151 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -42.618 flat angles C4'-P-C4' energy: -62.029 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -59.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -537.333219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.333219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.333219 (E_RNA) where: Base-Base interactions energy: -309.683 where: short stacking energy: -153.106 Base-Backbone interact. energy: -0.567 local terms energy: -227.082391 where: bonds (distance) C4'-P energy: -51.425 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -57.097 flat angles P-C4'-P energy: -31.844 tors. eta vs tors. theta energy: -28.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -476.235642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.235642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.235642 (E_RNA) where: Base-Base interactions energy: -254.567 where: short stacking energy: -138.826 Base-Backbone interact. energy: 0.982 local terms energy: -222.650619 where: bonds (distance) C4'-P energy: -59.773 bonds (distance) P-C4' energy: -59.543 flat angles C4'-P-C4' energy: -58.461 flat angles P-C4'-P energy: -28.474 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1274.738507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.738507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.738507 (E_RNA) where: Base-Base interactions energy: -904.794 where: short stacking energy: -366.773 Base-Backbone interact. energy: -1.790 local terms energy: -368.154328 where: bonds (distance) C4'-P energy: -70.836 bonds (distance) P-C4' energy: -72.917 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -48.908 tors. eta vs tors. theta energy: -97.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1239.684139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.684139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.684139 (E_RNA) where: Base-Base interactions energy: -867.307 where: short stacking energy: -375.794 Base-Backbone interact. energy: 0.680 local terms energy: -373.057487 where: bonds (distance) C4'-P energy: -61.694 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -80.330 flat angles P-C4'-P energy: -58.668 tors. eta vs tors. theta energy: -105.901 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: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1215.741739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.741739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.741739 (E_RNA) where: Base-Base interactions energy: -855.208 where: short stacking energy: -335.430 Base-Backbone interact. energy: -0.832 local terms energy: -359.701624 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -69.219 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -51.341 tors. eta vs tors. theta energy: -99.398 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: 8 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1109.534100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.534100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.534100 (E_RNA) where: Base-Base interactions energy: -791.443 where: short stacking energy: -355.840 Base-Backbone interact. energy: -1.340 local terms energy: -316.750784 where: bonds (distance) C4'-P energy: -51.970 bonds (distance) P-C4' energy: -65.522 flat angles C4'-P-C4' energy: -71.521 flat angles P-C4'-P energy: -40.100 tors. eta vs tors. theta energy: -87.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1007.346649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.346649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.346649 (E_RNA) where: Base-Base interactions energy: -692.507 where: short stacking energy: -284.009 Base-Backbone interact. energy: -2.179 local terms energy: -312.660627 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -73.071 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -69.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -952.050824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.050824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.050824 (E_RNA) where: Base-Base interactions energy: -648.011 where: short stacking energy: -272.507 Base-Backbone interact. energy: 0.929 local terms energy: -304.968838 where: bonds (distance) C4'-P energy: -57.091 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -61.851 flat angles P-C4'-P energy: -49.087 tors. eta vs tors. theta energy: -74.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -955.983558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.983558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.983558 (E_RNA) where: Base-Base interactions energy: -670.681 where: short stacking energy: -291.736 Base-Backbone interact. energy: 2.618 local terms energy: -287.920231 where: bonds (distance) C4'-P energy: -49.523 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -60.900 flat angles P-C4'-P energy: -46.161 tors. eta vs tors. theta energy: -73.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -891.572824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.572824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.572824 (E_RNA) where: Base-Base interactions energy: -603.994 where: short stacking energy: -257.459 Base-Backbone interact. energy: -2.023 local terms energy: -285.556023 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -59.727 flat angles C4'-P-C4' energy: -68.963 flat angles P-C4'-P energy: -35.726 tors. eta vs tors. theta energy: -58.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -531.247402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.247402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.247402 (E_RNA) where: Base-Base interactions energy: -313.203 where: short stacking energy: -145.637 Base-Backbone interact. energy: -2.630 local terms energy: -215.415338 where: bonds (distance) C4'-P energy: -66.580 bonds (distance) P-C4' energy: -47.739 flat angles C4'-P-C4' energy: -55.184 flat angles P-C4'-P energy: -34.300 tors. eta vs tors. theta energy: -11.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -548.194809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.194809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.194809 (E_RNA) where: Base-Base interactions energy: -329.076 where: short stacking energy: -156.269 Base-Backbone interact. energy: 0.695 local terms energy: -219.813831 where: bonds (distance) C4'-P energy: -46.777 bonds (distance) P-C4' energy: -53.613 flat angles C4'-P-C4' energy: -62.723 flat angles P-C4'-P energy: -37.504 tors. eta vs tors. theta energy: -19.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1294.650871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.650871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.650871 (E_RNA) where: Base-Base interactions energy: -925.476 where: short stacking energy: -379.555 Base-Backbone interact. energy: -3.660 local terms energy: -365.514985 where: bonds (distance) C4'-P energy: -67.315 bonds (distance) P-C4' energy: -71.712 flat angles C4'-P-C4' energy: -82.022 flat angles P-C4'-P energy: -48.474 tors. eta vs tors. theta energy: -95.992 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: 172 Temperature: 0.950000 Total energy: -1240.626606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.626606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.626606 (E_RNA) where: Base-Base interactions energy: -862.747 where: short stacking energy: -387.168 Base-Backbone interact. energy: -0.913 local terms energy: -376.966553 where: bonds (distance) C4'-P energy: -56.333 bonds (distance) P-C4' energy: -71.008 flat angles C4'-P-C4' energy: -82.220 flat angles P-C4'-P energy: -52.332 tors. eta vs tors. theta energy: -115.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1227.663099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.663099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.663099 (E_RNA) where: Base-Base interactions energy: -863.667 where: short stacking energy: -360.897 Base-Backbone interact. energy: -1.589 local terms energy: -362.407264 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -64.195 flat angles C4'-P-C4' energy: -75.537 flat angles P-C4'-P energy: -54.339 tors. eta vs tors. theta energy: -104.653 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: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1086.624081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.624081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.624081 (E_RNA) where: Base-Base interactions energy: -769.167 where: short stacking energy: -315.003 Base-Backbone interact. energy: -1.741 local terms energy: -315.716898 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -64.361 flat angles P-C4'-P energy: -54.225 tors. eta vs tors. theta energy: -72.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1049.411095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.411095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.411095 (E_RNA) where: Base-Base interactions energy: -723.546 where: short stacking energy: -320.224 Base-Backbone interact. energy: -1.406 local terms energy: -324.459646 where: bonds (distance) C4'-P energy: -65.073 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -77.357 flat angles P-C4'-P energy: -47.247 tors. eta vs tors. theta energy: -79.142 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: 3 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -975.867328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.867328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.867328 (E_RNA) where: Base-Base interactions energy: -667.100 where: short stacking energy: -304.684 Base-Backbone interact. energy: -0.371 local terms energy: -308.396698 where: bonds (distance) C4'-P energy: -65.370 bonds (distance) P-C4' energy: -48.791 flat angles C4'-P-C4' energy: -73.899 flat angles P-C4'-P energy: -42.035 tors. eta vs tors. theta energy: -78.303 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: 7, replica: 10 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -952.467254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.467254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.467254 (E_RNA) where: Base-Base interactions energy: -652.484 where: short stacking energy: -283.571 Base-Backbone interact. energy: -1.104 local terms energy: -298.879688 where: bonds (distance) C4'-P energy: -53.493 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -60.748 flat angles P-C4'-P energy: -37.761 tors. eta vs tors. theta energy: -78.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -905.206702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.206702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.206702 (E_RNA) where: Base-Base interactions energy: -613.307 where: short stacking energy: -275.253 Base-Backbone interact. energy: -0.320 local terms energy: -291.579635 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -54.103 flat angles C4'-P-C4' energy: -72.052 flat angles P-C4'-P energy: -40.841 tors. eta vs tors. theta energy: -65.644 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: 2 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -541.060714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.060714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.060714 (E_RNA) where: Base-Base interactions energy: -326.240 where: short stacking energy: -179.732 Base-Backbone interact. energy: 3.524 local terms energy: -218.345398 where: bonds (distance) C4'-P energy: -53.223 bonds (distance) P-C4' energy: -60.390 flat angles C4'-P-C4' energy: -48.004 flat angles P-C4'-P energy: -34.175 tors. eta vs tors. theta energy: -22.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -486.491747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.491747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.491747 (E_RNA) where: Base-Base interactions energy: -286.625 where: short stacking energy: -131.080 Base-Backbone interact. energy: 2.666 local terms energy: -202.533121 where: bonds (distance) C4'-P energy: -54.042 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -25.087 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1324.737193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.737193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.737193 (E_RNA) where: Base-Base interactions energy: -953.064 where: short stacking energy: -391.350 Base-Backbone interact. energy: -0.566 local terms energy: -371.106446 where: bonds (distance) C4'-P energy: -76.085 bonds (distance) P-C4' energy: -60.962 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -50.794 tors. eta vs tors. theta energy: -101.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1239.131124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.131124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.131124 (E_RNA) where: Base-Base interactions energy: -861.912 where: short stacking energy: -371.133 Base-Backbone interact. energy: -1.791 local terms energy: -375.427914 where: bonds (distance) C4'-P energy: -76.396 bonds (distance) P-C4' energy: -68.937 flat angles C4'-P-C4' energy: -80.052 flat angles P-C4'-P energy: -49.952 tors. eta vs tors. theta energy: -100.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1245.679938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.679938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.679938 (E_RNA) where: Base-Base interactions energy: -872.446 where: short stacking energy: -373.398 Base-Backbone interact. energy: -1.392 local terms energy: -371.841544 where: bonds (distance) C4'-P energy: -55.009 bonds (distance) P-C4' energy: -65.996 flat angles C4'-P-C4' energy: -80.305 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -111.936 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: 8 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1117.937849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.937849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.937849 (E_RNA) where: Base-Base interactions energy: -784.381 where: short stacking energy: -349.751 Base-Backbone interact. energy: -1.206 local terms energy: -332.351104 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -56.613 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -48.204 tors. eta vs tors. theta energy: -83.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1046.337539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.337539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.337539 (E_RNA) where: Base-Base interactions energy: -749.391 where: short stacking energy: -305.197 Base-Backbone interact. energy: 2.262 local terms energy: -299.208826 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -57.469 flat angles C4'-P-C4' energy: -70.875 flat angles P-C4'-P energy: -36.184 tors. eta vs tors. theta energy: -72.992 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: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -947.210894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.210894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.210894 (E_RNA) where: Base-Base interactions energy: -644.641 where: short stacking energy: -254.161 Base-Backbone interact. energy: -0.966 local terms energy: -301.603986 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -60.739 flat angles C4'-P-C4' energy: -68.489 flat angles P-C4'-P energy: -49.510 tors. eta vs tors. theta energy: -59.997 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: 3 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -963.167468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.167468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.167468 (E_RNA) where: Base-Base interactions energy: -647.383 where: short stacking energy: -285.319 Base-Backbone interact. energy: 1.119 local terms energy: -316.903611 where: bonds (distance) C4'-P energy: -63.351 bonds (distance) P-C4' energy: -62.712 flat angles C4'-P-C4' energy: -58.969 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -83.955 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: 5 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -865.558001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.558001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.558001 (E_RNA) where: Base-Base interactions energy: -566.800 where: short stacking energy: -231.457 Base-Backbone interact. energy: -1.110 local terms energy: -297.647699 where: bonds (distance) C4'-P energy: -66.453 bonds (distance) P-C4' energy: -69.377 flat angles C4'-P-C4' energy: -67.339 flat angles P-C4'-P energy: -29.745 tors. eta vs tors. theta energy: -64.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -534.607753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.607753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.607753 (E_RNA) where: Base-Base interactions energy: -292.302 where: short stacking energy: -166.361 Base-Backbone interact. energy: 1.666 local terms energy: -243.970773 where: bonds (distance) C4'-P energy: -63.785 bonds (distance) P-C4' energy: -58.513 flat angles C4'-P-C4' energy: -67.174 flat angles P-C4'-P energy: -29.265 tors. eta vs tors. theta energy: -25.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -528.682802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.682802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.682802 (E_RNA) where: Base-Base interactions energy: -299.520 where: short stacking energy: -146.293 Base-Backbone interact. energy: 0.671 local terms energy: -229.833460 where: bonds (distance) C4'-P energy: -60.138 bonds (distance) P-C4' energy: -41.764 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -42.102 tors. eta vs tors. theta energy: -27.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1254.460472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.460472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.460472 (E_RNA) where: Base-Base interactions energy: -882.764 where: short stacking energy: -353.564 Base-Backbone interact. energy: -2.034 local terms energy: -369.661921 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -67.463 flat angles C4'-P-C4' energy: -72.331 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -103.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1301.158433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.158433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.158433 (E_RNA) where: Base-Base interactions energy: -944.792 where: short stacking energy: -372.173 Base-Backbone interact. energy: -0.923 local terms energy: -355.443368 where: bonds (distance) C4'-P energy: -67.510 bonds (distance) P-C4' energy: -61.595 flat angles C4'-P-C4' energy: -76.929 flat angles P-C4'-P energy: -48.651 tors. eta vs tors. theta energy: -100.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1227.562971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.562971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.562971 (E_RNA) where: Base-Base interactions energy: -848.446 where: short stacking energy: -368.956 Base-Backbone interact. energy: 0.260 local terms energy: -379.377213 where: bonds (distance) C4'-P energy: -72.384 bonds (distance) P-C4' energy: -69.865 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -58.368 tors. eta vs tors. theta energy: -106.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1107.843134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.843134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.843134 (E_RNA) where: Base-Base interactions energy: -776.453 where: short stacking energy: -334.675 Base-Backbone interact. energy: -2.035 local terms energy: -329.355350 where: bonds (distance) C4'-P energy: -66.306 bonds (distance) P-C4' energy: -60.746 flat angles C4'-P-C4' energy: -71.144 flat angles P-C4'-P energy: -41.796 tors. eta vs tors. theta energy: -89.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1062.427209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.427209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.427209 (E_RNA) where: Base-Base interactions energy: -757.697 where: short stacking energy: -311.535 Base-Backbone interact. energy: -0.832 local terms energy: -303.898307 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -67.866 flat angles C4'-P-C4' energy: -69.821 flat angles P-C4'-P energy: -31.463 tors. eta vs tors. theta energy: -78.610 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: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -942.692945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.692945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.692945 (E_RNA) where: Base-Base interactions energy: -631.993 where: short stacking energy: -274.963 Base-Backbone interact. energy: -1.040 local terms energy: -309.659103 where: bonds (distance) C4'-P energy: -62.028 bonds (distance) P-C4' energy: -59.822 flat angles C4'-P-C4' energy: -68.948 flat angles P-C4'-P energy: -48.986 tors. eta vs tors. theta energy: -69.875 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: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -945.617910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.617910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.617910 (E_RNA) where: Base-Base interactions energy: -640.383 where: short stacking energy: -283.555 Base-Backbone interact. energy: 0.859 local terms energy: -306.093857 where: bonds (distance) C4'-P energy: -54.904 bonds (distance) P-C4' energy: -71.863 flat angles C4'-P-C4' energy: -56.550 flat angles P-C4'-P energy: -51.531 tors. eta vs tors. theta energy: -71.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -811.210236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.210236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.210236 (E_RNA) where: Base-Base interactions energy: -525.492 where: short stacking energy: -236.966 Base-Backbone interact. energy: -0.505 local terms energy: -285.212742 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -65.467 flat angles C4'-P-C4' energy: -66.489 flat angles P-C4'-P energy: -33.772 tors. eta vs tors. theta energy: -55.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -528.742635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.742635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.742635 (E_RNA) where: Base-Base interactions energy: -301.682 where: short stacking energy: -162.598 Base-Backbone interact. energy: -0.843 local terms energy: -226.218239 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -56.038 flat angles C4'-P-C4' energy: -53.085 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -20.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -492.405528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.405528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.405528 (E_RNA) where: Base-Base interactions energy: -284.504 where: short stacking energy: -146.679 Base-Backbone interact. energy: -2.080 local terms energy: -205.821632 where: bonds (distance) C4'-P energy: -48.517 bonds (distance) P-C4' energy: -58.675 flat angles C4'-P-C4' energy: -55.881 flat angles P-C4'-P energy: -27.470 tors. eta vs tors. theta energy: -15.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1254.963485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.963485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.963485 (E_RNA) where: Base-Base interactions energy: -891.749 where: short stacking energy: -373.485 Base-Backbone interact. energy: -0.548 local terms energy: -362.666746 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -69.567 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -51.049 tors. eta vs tors. theta energy: -108.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1283.875805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.875805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.875805 (E_RNA) where: Base-Base interactions energy: -885.893 where: short stacking energy: -385.310 Base-Backbone interact. energy: -0.187 local terms energy: -397.795025 where: bonds (distance) C4'-P energy: -64.099 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -87.732 flat angles P-C4'-P energy: -58.610 tors. eta vs tors. theta energy: -112.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1248.903915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.903915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.903915 (E_RNA) where: Base-Base interactions energy: -905.935 where: short stacking energy: -371.180 Base-Backbone interact. energy: -0.262 local terms energy: -342.707190 where: bonds (distance) C4'-P energy: -61.883 bonds (distance) P-C4' energy: -69.143 flat angles C4'-P-C4' energy: -81.977 flat angles P-C4'-P energy: -39.239 tors. eta vs tors. theta energy: -90.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1106.959542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.959542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.959542 (E_RNA) where: Base-Base interactions energy: -775.099 where: short stacking energy: -351.859 Base-Backbone interact. energy: 0.171 local terms energy: -332.032063 where: bonds (distance) C4'-P energy: -62.195 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -76.488 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: -89.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1038.412292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.412292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.412292 (E_RNA) where: Base-Base interactions energy: -719.128 where: short stacking energy: -294.049 Base-Backbone interact. energy: 0.087 local terms energy: -319.371095 where: bonds (distance) C4'-P energy: -61.164 bonds (distance) P-C4' energy: -73.324 flat angles C4'-P-C4' energy: -68.987 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -68.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -979.978195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.978195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.978195 (E_RNA) where: Base-Base interactions energy: -672.527 where: short stacking energy: -308.278 Base-Backbone interact. energy: -1.851 local terms energy: -305.600308 where: bonds (distance) C4'-P energy: -62.024 bonds (distance) P-C4' energy: -56.519 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -41.709 tors. eta vs tors. theta energy: -77.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -933.936237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.936237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.936237 (E_RNA) where: Base-Base interactions energy: -638.023 where: short stacking energy: -293.256 Base-Backbone interact. energy: -1.393 local terms energy: -294.520114 where: bonds (distance) C4'-P energy: -47.819 bonds (distance) P-C4' energy: -61.927 flat angles C4'-P-C4' energy: -73.017 flat angles P-C4'-P energy: -50.172 tors. eta vs tors. theta energy: -61.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -844.890800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.890800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.890800 (E_RNA) where: Base-Base interactions energy: -547.886 where: short stacking energy: -236.487 Base-Backbone interact. energy: 7.848 local terms energy: -304.852316 where: bonds (distance) C4'-P energy: -62.852 bonds (distance) P-C4' energy: -64.892 flat angles C4'-P-C4' energy: -73.520 flat angles P-C4'-P energy: -48.660 tors. eta vs tors. theta energy: -54.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -572.037773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.037773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.037773 (E_RNA) where: Base-Base interactions energy: -348.368 where: short stacking energy: -174.252 Base-Backbone interact. energy: -1.886 local terms energy: -221.783194 where: bonds (distance) C4'-P energy: -44.993 bonds (distance) P-C4' energy: -56.591 flat angles C4'-P-C4' energy: -55.183 flat angles P-C4'-P energy: -36.459 tors. eta vs tors. theta energy: -28.558 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: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -514.247503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.247503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.247503 (E_RNA) where: Base-Base interactions energy: -286.225 where: short stacking energy: -148.232 Base-Backbone interact. energy: 5.233 local terms energy: -233.255352 where: bonds (distance) C4'-P energy: -51.688 bonds (distance) P-C4' energy: -61.253 flat angles C4'-P-C4' energy: -60.566 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -18.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1278.594387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.594387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.594387 (E_RNA) where: Base-Base interactions energy: -897.875 where: short stacking energy: -370.901 Base-Backbone interact. energy: -1.119 local terms energy: -379.599861 where: bonds (distance) C4'-P energy: -66.923 bonds (distance) P-C4' energy: -67.643 flat angles C4'-P-C4' energy: -77.925 flat angles P-C4'-P energy: -62.346 tors. eta vs tors. theta energy: -104.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1295.290784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.290784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.290784 (E_RNA) where: Base-Base interactions energy: -904.291 where: short stacking energy: -387.416 Base-Backbone interact. energy: 0.070 local terms energy: -391.070296 where: bonds (distance) C4'-P energy: -70.772 bonds (distance) P-C4' energy: -71.601 flat angles C4'-P-C4' energy: -79.952 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -105.675 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: 7 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1250.198571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.198571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.198571 (E_RNA) where: Base-Base interactions energy: -907.933 where: short stacking energy: -351.947 Base-Backbone interact. energy: 1.139 local terms energy: -343.404247 where: bonds (distance) C4'-P energy: -68.715 bonds (distance) P-C4' energy: -63.993 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -46.518 tors. eta vs tors. theta energy: -87.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1159.490821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.490821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.490821 (E_RNA) where: Base-Base interactions energy: -790.628 where: short stacking energy: -350.583 Base-Backbone interact. energy: 0.299 local terms energy: -369.161581 where: bonds (distance) C4'-P energy: -70.015 bonds (distance) P-C4' energy: -66.044 flat angles C4'-P-C4' energy: -80.306 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -95.880 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: 176 Temperature: 1.100000 Total energy: -1054.479689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.479689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.479689 (E_RNA) where: Base-Base interactions energy: -761.722 where: short stacking energy: -309.662 Base-Backbone interact. energy: -1.183 local terms energy: -291.574960 where: bonds (distance) C4'-P energy: -49.071 bonds (distance) P-C4' energy: -59.079 flat angles C4'-P-C4' energy: -69.773 flat angles P-C4'-P energy: -39.248 tors. eta vs tors. theta energy: -74.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -973.670715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.670715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.670715 (E_RNA) where: Base-Base interactions energy: -662.733 where: short stacking energy: -298.502 Base-Backbone interact. energy: 0.701 local terms energy: -311.638185 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -53.903 flat angles C4'-P-C4' energy: -73.697 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -82.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -880.728328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.728328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.728328 (E_RNA) where: Base-Base interactions energy: -589.412 where: short stacking energy: -245.155 Base-Backbone interact. energy: 0.518 local terms energy: -291.833860 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -59.363 flat angles C4'-P-C4' energy: -60.621 flat angles P-C4'-P energy: -44.403 tors. eta vs tors. theta energy: -57.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -907.302477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.302477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.302477 (E_RNA) where: Base-Base interactions energy: -633.377 where: short stacking energy: -256.393 Base-Backbone interact. energy: 4.443 local terms energy: -278.368595 where: bonds (distance) C4'-P energy: -49.546 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -65.163 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -66.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -571.580034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.580034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.580034 (E_RNA) where: Base-Base interactions energy: -347.878 where: short stacking energy: -174.561 Base-Backbone interact. energy: -0.767 local terms energy: -222.934365 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -51.648 flat angles P-C4'-P energy: -33.921 tors. eta vs tors. theta energy: -18.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -565.023432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.023432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.023432 (E_RNA) where: Base-Base interactions energy: -341.437 where: short stacking energy: -186.027 Base-Backbone interact. energy: -0.701 local terms energy: -222.885289 where: bonds (distance) C4'-P energy: -54.690 bonds (distance) P-C4' energy: -47.557 flat angles C4'-P-C4' energy: -56.646 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -23.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1272.342831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.342831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.342831 (E_RNA) where: Base-Base interactions energy: -905.835 where: short stacking energy: -371.404 Base-Backbone interact. energy: -0.900 local terms energy: -365.608225 where: bonds (distance) C4'-P energy: -66.021 bonds (distance) P-C4' energy: -69.659 flat angles C4'-P-C4' energy: -76.996 flat angles P-C4'-P energy: -48.891 tors. eta vs tors. theta energy: -104.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1279.669755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.669755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.669755 (E_RNA) where: Base-Base interactions energy: -909.740 where: short stacking energy: -382.709 Base-Backbone interact. energy: -0.067 local terms energy: -369.863087 where: bonds (distance) C4'-P energy: -63.397 bonds (distance) P-C4' energy: -66.257 flat angles C4'-P-C4' energy: -77.970 flat angles P-C4'-P energy: -50.981 tors. eta vs tors. theta energy: -111.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1227.914739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.914739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.914739 (E_RNA) where: Base-Base interactions energy: -891.433 where: short stacking energy: -359.824 Base-Backbone interact. energy: -0.262 local terms energy: -336.219540 where: bonds (distance) C4'-P energy: -63.721 bonds (distance) P-C4' energy: -62.931 flat angles C4'-P-C4' energy: -71.510 flat angles P-C4'-P energy: -45.975 tors. eta vs tors. theta energy: -92.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1154.488822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.488822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.488822 (E_RNA) where: Base-Base interactions energy: -794.645 where: short stacking energy: -358.144 Base-Backbone interact. energy: -0.048 local terms energy: -359.795848 where: bonds (distance) C4'-P energy: -61.603 bonds (distance) P-C4' energy: -65.884 flat angles C4'-P-C4' energy: -83.491 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -97.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1084.292887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.292887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.292887 (E_RNA) where: Base-Base interactions energy: -761.301 where: short stacking energy: -308.211 Base-Backbone interact. energy: -1.265 local terms energy: -321.727017 where: bonds (distance) C4'-P energy: -62.134 bonds (distance) P-C4' energy: -63.109 flat angles C4'-P-C4' energy: -69.395 flat angles P-C4'-P energy: -46.401 tors. eta vs tors. theta energy: -80.688 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: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -981.665523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.665523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.665523 (E_RNA) where: Base-Base interactions energy: -681.217 where: short stacking energy: -291.394 Base-Backbone interact. energy: -1.432 local terms energy: -299.016400 where: bonds (distance) C4'-P energy: -61.508 bonds (distance) P-C4' energy: -61.384 flat angles C4'-P-C4' energy: -59.659 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: -74.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -892.621753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.621753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.621753 (E_RNA) where: Base-Base interactions energy: -589.429 where: short stacking energy: -273.916 Base-Backbone interact. energy: -0.156 local terms energy: -303.037305 where: bonds (distance) C4'-P energy: -54.182 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -66.478 flat angles P-C4'-P energy: -46.671 tors. eta vs tors. theta energy: -79.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -883.069728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.069728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.069728 (E_RNA) where: Base-Base interactions energy: -604.516 where: short stacking energy: -257.793 Base-Backbone interact. energy: -1.045 local terms energy: -277.508439 where: bonds (distance) C4'-P energy: -63.365 bonds (distance) P-C4' energy: -61.721 flat angles C4'-P-C4' energy: -48.090 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -60.970 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: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -562.266047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.266047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.266047 (E_RNA) where: Base-Base interactions energy: -327.334 where: short stacking energy: -168.554 Base-Backbone interact. energy: 0.104 local terms energy: -235.036122 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -61.635 flat angles C4'-P-C4' energy: -61.135 flat angles P-C4'-P energy: -28.945 tors. eta vs tors. theta energy: -21.349 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: 1 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -552.872270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.872270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.872270 (E_RNA) where: Base-Base interactions energy: -354.643 where: short stacking energy: -169.920 Base-Backbone interact. energy: 0.642 local terms energy: -198.871019 where: bonds (distance) C4'-P energy: -32.645 bonds (distance) P-C4' energy: -60.750 flat angles C4'-P-C4' energy: -51.576 flat angles P-C4'-P energy: -31.526 tors. eta vs tors. theta energy: -22.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1290.687717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.687717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.687717 (E_RNA) where: Base-Base interactions energy: -906.004 where: short stacking energy: -393.513 Base-Backbone interact. energy: -0.610 local terms energy: -384.072845 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -69.463 flat angles C4'-P-C4' energy: -77.566 flat angles P-C4'-P energy: -48.789 tors. eta vs tors. theta energy: -113.425 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: 2, replica: 9 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1231.487361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.487361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.487361 (E_RNA) where: Base-Base interactions energy: -879.784 where: short stacking energy: -365.340 Base-Backbone interact. energy: -0.876 local terms energy: -350.827858 where: bonds (distance) C4'-P energy: -66.028 bonds (distance) P-C4' energy: -60.261 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: -99.772 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: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1228.243007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.243007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.243007 (E_RNA) where: Base-Base interactions energy: -883.048 where: short stacking energy: -349.860 Base-Backbone interact. energy: -1.686 local terms energy: -343.508449 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -76.174 flat angles C4'-P-C4' energy: -67.603 flat angles P-C4'-P energy: -43.998 tors. eta vs tors. theta energy: -95.085 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: 4, replica: 8 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1147.862911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.862911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.862911 (E_RNA) where: Base-Base interactions energy: -801.820 where: short stacking energy: -348.342 Base-Backbone interact. energy: -2.031 local terms energy: -344.012230 where: bonds (distance) C4'-P energy: -70.846 bonds (distance) P-C4' energy: -68.144 flat angles C4'-P-C4' energy: -69.453 flat angles P-C4'-P energy: -41.496 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: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1113.455546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.455546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.455546 (E_RNA) where: Base-Base interactions energy: -796.082 where: short stacking energy: -322.453 Base-Backbone interact. energy: -0.295 local terms energy: -317.078254 where: bonds (distance) C4'-P energy: -57.384 bonds (distance) P-C4' energy: -74.314 flat angles C4'-P-C4' energy: -70.257 flat angles P-C4'-P energy: -37.997 tors. eta vs tors. theta energy: -77.126 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: 3 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -970.302178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.302178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.302178 (E_RNA) where: Base-Base interactions energy: -645.688 where: short stacking energy: -287.681 Base-Backbone interact. energy: 0.370 local terms energy: -324.984418 where: bonds (distance) C4'-P energy: -62.227 bonds (distance) P-C4' energy: -63.123 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -85.211 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: 5 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -844.920562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.920562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.920562 (E_RNA) where: Base-Base interactions energy: -567.587 where: short stacking energy: -223.206 Base-Backbone interact. energy: 0.884 local terms energy: -278.217326 where: bonds (distance) C4'-P energy: -66.126 bonds (distance) P-C4' energy: -64.226 flat angles C4'-P-C4' energy: -60.885 flat angles P-C4'-P energy: -33.205 tors. eta vs tors. theta energy: -53.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -865.699362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.699362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.699362 (E_RNA) where: Base-Base interactions energy: -580.205 where: short stacking energy: -263.026 Base-Backbone interact. energy: 2.228 local terms energy: -287.723015 where: bonds (distance) C4'-P energy: -70.777 bonds (distance) P-C4' energy: -61.855 flat angles C4'-P-C4' energy: -64.449 flat angles P-C4'-P energy: -26.291 tors. eta vs tors. theta energy: -64.351 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: 1 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -583.863243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.863243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.863243 (E_RNA) where: Base-Base interactions energy: -353.107 where: short stacking energy: -184.007 Base-Backbone interact. energy: -0.511 local terms energy: -230.245329 where: bonds (distance) C4'-P energy: -56.659 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -57.791 flat angles P-C4'-P energy: -21.763 tors. eta vs tors. theta energy: -30.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -557.958285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.958285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.958285 (E_RNA) where: Base-Base interactions energy: -342.955 where: short stacking energy: -153.068 Base-Backbone interact. energy: 1.469 local terms energy: -216.471642 where: bonds (distance) C4'-P energy: -60.210 bonds (distance) P-C4' energy: -60.678 flat angles C4'-P-C4' energy: -42.422 flat angles P-C4'-P energy: -26.227 tors. eta vs tors. theta energy: -26.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1300.552330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.552330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.552330 (E_RNA) where: Base-Base interactions energy: -903.913 where: short stacking energy: -388.097 Base-Backbone interact. energy: -1.017 local terms energy: -395.621752 where: bonds (distance) C4'-P energy: -75.472 bonds (distance) P-C4' energy: -68.693 flat angles C4'-P-C4' energy: -81.840 flat angles P-C4'-P energy: -55.679 tors. eta vs tors. theta energy: -113.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1251.839839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.839839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.839839 (E_RNA) where: Base-Base interactions energy: -897.306 where: short stacking energy: -384.598 Base-Backbone interact. energy: -0.278 local terms energy: -354.255370 where: bonds (distance) C4'-P energy: -61.250 bonds (distance) P-C4' energy: -69.470 flat angles C4'-P-C4' energy: -69.289 flat angles P-C4'-P energy: -43.895 tors. eta vs tors. theta energy: -110.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1227.271891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.271891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.271891 (E_RNA) where: Base-Base interactions energy: -864.027 where: short stacking energy: -351.865 Base-Backbone interact. energy: -0.088 local terms energy: -363.157314 where: bonds (distance) C4'-P energy: -61.585 bonds (distance) P-C4' energy: -69.799 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -53.874 tors. eta vs tors. theta energy: -99.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1125.150056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.150056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.150056 (E_RNA) where: Base-Base interactions energy: -776.747 where: short stacking energy: -329.866 Base-Backbone interact. energy: 0.279 local terms energy: -348.682458 where: bonds (distance) C4'-P energy: -62.651 bonds (distance) P-C4' energy: -69.384 flat angles C4'-P-C4' energy: -80.569 flat angles P-C4'-P energy: -47.990 tors. eta vs tors. theta energy: -88.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1081.273701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.273701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.273701 (E_RNA) where: Base-Base interactions energy: -772.406 where: short stacking energy: -303.701 Base-Backbone interact. energy: 1.175 local terms energy: -310.042965 where: bonds (distance) C4'-P energy: -61.530 bonds (distance) P-C4' energy: -50.119 flat angles C4'-P-C4' energy: -69.167 flat angles P-C4'-P energy: -47.269 tors. eta vs tors. theta energy: -81.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -981.969673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.969673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.969673 (E_RNA) where: Base-Base interactions energy: -655.410 where: short stacking energy: -292.163 Base-Backbone interact. energy: -0.955 local terms energy: -325.605355 where: bonds (distance) C4'-P energy: -59.949 bonds (distance) P-C4' energy: -61.488 flat angles C4'-P-C4' energy: -79.230 flat angles P-C4'-P energy: -45.275 tors. eta vs tors. theta energy: -79.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -879.652225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.652225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.652225 (E_RNA) where: Base-Base interactions energy: -577.739 where: short stacking energy: -255.515 Base-Backbone interact. energy: -1.139 local terms energy: -300.774011 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -69.081 flat angles P-C4'-P energy: -44.651 tors. eta vs tors. theta energy: -60.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -907.063923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.063923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.063923 (E_RNA) where: Base-Base interactions energy: -606.657 where: short stacking energy: -259.507 Base-Backbone interact. energy: -1.507 local terms energy: -298.899925 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -69.426 flat angles C4'-P-C4' energy: -70.651 flat angles P-C4'-P energy: -38.721 tors. eta vs tors. theta energy: -61.731 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: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -549.238869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.238869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.238869 (E_RNA) where: Base-Base interactions energy: -321.268 where: short stacking energy: -169.556 Base-Backbone interact. energy: 1.457 local terms energy: -229.427891 where: bonds (distance) C4'-P energy: -66.804 bonds (distance) P-C4' energy: -53.026 flat angles C4'-P-C4' energy: -66.287 flat angles P-C4'-P energy: -32.657 tors. eta vs tors. theta energy: -10.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -502.968951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.968951 (E_RNA) where: Base-Base interactions energy: -269.943 where: short stacking energy: -138.326 Base-Backbone interact. energy: 1.092 local terms energy: -234.117915 where: bonds (distance) C4'-P energy: -65.889 bonds (distance) P-C4' energy: -63.250 flat angles C4'-P-C4' energy: -53.687 flat angles P-C4'-P energy: -32.165 tors. eta vs tors. theta energy: -19.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1300.804048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.804048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.804048 (E_RNA) where: Base-Base interactions energy: -907.755 where: short stacking energy: -389.070 Base-Backbone interact. energy: -0.101 local terms energy: -392.948135 where: bonds (distance) C4'-P energy: -75.144 bonds (distance) P-C4' energy: -72.127 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -54.699 tors. eta vs tors. theta energy: -114.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1237.976866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.976866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.976866 (E_RNA) where: Base-Base interactions energy: -866.220 where: short stacking energy: -374.167 Base-Backbone interact. energy: -1.063 local terms energy: -370.694078 where: bonds (distance) C4'-P energy: -60.684 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -81.627 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -108.725 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: 3, replica: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1206.055338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.055338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.055338 (E_RNA) where: Base-Base interactions energy: -871.079 where: short stacking energy: -352.302 Base-Backbone interact. energy: -0.154 local terms energy: -334.822598 where: bonds (distance) C4'-P energy: -58.855 bonds (distance) P-C4' energy: -55.044 flat angles C4'-P-C4' energy: -72.892 flat angles P-C4'-P energy: -57.171 tors. eta vs tors. theta energy: -90.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1143.897914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.897914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.897914 (E_RNA) where: Base-Base interactions energy: -791.538 where: short stacking energy: -338.526 Base-Backbone interact. energy: 1.475 local terms energy: -353.835680 where: bonds (distance) C4'-P energy: -68.027 bonds (distance) P-C4' energy: -69.563 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -55.976 tors. eta vs tors. theta energy: -87.188 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: 3 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1000.990850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.990850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.990850 (E_RNA) where: Base-Base interactions energy: -671.411 where: short stacking energy: -305.939 Base-Backbone interact. energy: 3.407 local terms energy: -332.987055 where: bonds (distance) C4'-P energy: -70.318 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -73.445 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: -75.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1072.722487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.722487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.722487 (E_RNA) where: Base-Base interactions energy: -762.505 where: short stacking energy: -300.814 Base-Backbone interact. energy: 2.879 local terms energy: -313.096463 where: bonds (distance) C4'-P energy: -60.857 bonds (distance) P-C4' energy: -60.167 flat angles C4'-P-C4' energy: -68.344 flat angles P-C4'-P energy: -48.898 tors. eta vs tors. theta energy: -74.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -941.814828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.814828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.814828 (E_RNA) where: Base-Base interactions energy: -620.256 where: short stacking energy: -260.380 Base-Backbone interact. energy: -1.314 local terms energy: -320.245731 where: bonds (distance) C4'-P energy: -62.289 bonds (distance) P-C4' energy: -61.702 flat angles C4'-P-C4' energy: -76.559 flat angles P-C4'-P energy: -51.283 tors. eta vs tors. theta energy: -68.413 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: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -846.215866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.215866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.215866 (E_RNA) where: Base-Base interactions energy: -579.494 where: short stacking energy: -251.687 Base-Backbone interact. energy: -1.019 local terms energy: -265.702608 where: bonds (distance) C4'-P energy: -54.568 bonds (distance) P-C4' energy: -50.234 flat angles C4'-P-C4' energy: -61.627 flat angles P-C4'-P energy: -35.964 tors. eta vs tors. theta energy: -63.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -539.973184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.973184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.973184 (E_RNA) where: Base-Base interactions energy: -322.425 where: short stacking energy: -190.577 Base-Backbone interact. energy: -0.698 local terms energy: -216.850412 where: bonds (distance) C4'-P energy: -45.417 bonds (distance) P-C4' energy: -66.064 flat angles C4'-P-C4' energy: -57.099 flat angles P-C4'-P energy: -13.585 tors. eta vs tors. theta energy: -34.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -494.614959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.614959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.614959 (E_RNA) where: Base-Base interactions energy: -313.063 where: short stacking energy: -160.933 Base-Backbone interact. energy: 0.678 local terms energy: -182.229480 where: bonds (distance) C4'-P energy: -48.702 bonds (distance) P-C4' energy: -52.508 flat angles C4'-P-C4' energy: -40.322 flat angles P-C4'-P energy: -29.618 tors. eta vs tors. theta energy: -11.079 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: 4 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1324.102054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.102054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.102054 (E_RNA) where: Base-Base interactions energy: -917.993 where: short stacking energy: -418.803 Base-Backbone interact. energy: -2.507 local terms energy: -403.601599 where: bonds (distance) C4'-P energy: -80.826 bonds (distance) P-C4' energy: -75.077 flat angles C4'-P-C4' energy: -79.061 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -117.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1264.480343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.480343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.480343 (E_RNA) where: Base-Base interactions energy: -888.787 where: short stacking energy: -392.686 Base-Backbone interact. energy: -0.655 local terms energy: -375.038879 where: bonds (distance) C4'-P energy: -71.829 bonds (distance) P-C4' energy: -66.688 flat angles C4'-P-C4' energy: -77.009 flat angles P-C4'-P energy: -49.093 tors. eta vs tors. theta energy: -110.421 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: 7 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1211.314304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.314304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.314304 (E_RNA) where: Base-Base interactions energy: -855.400 where: short stacking energy: -343.066 Base-Backbone interact. energy: -3.156 local terms energy: -352.759125 where: bonds (distance) C4'-P energy: -64.963 bonds (distance) P-C4' energy: -75.260 flat angles C4'-P-C4' energy: -72.966 flat angles P-C4'-P energy: -45.333 tors. eta vs tors. theta energy: -94.238 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: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1140.636521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.636521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.636521 (E_RNA) where: Base-Base interactions energy: -800.936 where: short stacking energy: -346.804 Base-Backbone interact. energy: -1.515 local terms energy: -338.185439 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -60.652 flat angles C4'-P-C4' energy: -72.099 flat angles P-C4'-P energy: -47.535 tors. eta vs tors. theta energy: -91.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -998.384534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.384534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.384534 (E_RNA) where: Base-Base interactions energy: -685.760 where: short stacking energy: -298.539 Base-Backbone interact. energy: -0.805 local terms energy: -311.819841 where: bonds (distance) C4'-P energy: -58.228 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -72.160 flat angles P-C4'-P energy: -39.033 tors. eta vs tors. theta energy: -81.570 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: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1057.766107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.766107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.766107 (E_RNA) where: Base-Base interactions energy: -769.236 where: short stacking energy: -298.208 Base-Backbone interact. energy: -0.327 local terms energy: -288.203038 where: bonds (distance) C4'-P energy: -54.716 bonds (distance) P-C4' energy: -65.710 flat angles C4'-P-C4' energy: -65.483 flat angles P-C4'-P energy: -26.311 tors. eta vs tors. theta energy: -75.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -923.954311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.954311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.954311 (E_RNA) where: Base-Base interactions energy: -616.920 where: short stacking energy: -267.979 Base-Backbone interact. energy: -1.295 local terms energy: -305.738796 where: bonds (distance) C4'-P energy: -61.586 bonds (distance) P-C4' energy: -79.368 flat angles C4'-P-C4' energy: -65.654 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -55.846 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: 5 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -812.195456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.195456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.195456 (E_RNA) where: Base-Base interactions energy: -542.149 where: short stacking energy: -256.802 Base-Backbone interact. energy: -1.489 local terms energy: -268.557088 where: bonds (distance) C4'-P energy: -49.767 bonds (distance) P-C4' energy: -59.773 flat angles C4'-P-C4' energy: -61.830 flat angles P-C4'-P energy: -38.710 tors. eta vs tors. theta energy: -58.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -536.983294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.983294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.983294 (E_RNA) where: Base-Base interactions energy: -319.715 where: short stacking energy: -191.322 Base-Backbone interact. energy: 1.182 local terms energy: -218.450007 where: bonds (distance) C4'-P energy: -55.785 bonds (distance) P-C4' energy: -43.948 flat angles C4'-P-C4' energy: -47.689 flat angles P-C4'-P energy: -41.679 tors. eta vs tors. theta energy: -29.350 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: 1 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -515.258928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.258928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.258928 (E_RNA) where: Base-Base interactions energy: -284.969 where: short stacking energy: -153.027 Base-Backbone interact. energy: -0.018 local terms energy: -230.272487 where: bonds (distance) C4'-P energy: -53.312 bonds (distance) P-C4' energy: -66.713 flat angles C4'-P-C4' energy: -47.536 flat angles P-C4'-P energy: -41.888 tors. eta vs tors. theta energy: -20.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1322.085801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.085801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.085801 (E_RNA) where: Base-Base interactions energy: -931.731 where: short stacking energy: -408.130 Base-Backbone interact. energy: -0.603 local terms energy: -389.751874 where: bonds (distance) C4'-P energy: -76.757 bonds (distance) P-C4' energy: -71.414 flat angles C4'-P-C4' energy: -78.459 flat angles P-C4'-P energy: -56.232 tors. eta vs tors. theta energy: -106.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1244.386448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.386448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.386448 (E_RNA) where: Base-Base interactions energy: -853.758 where: short stacking energy: -349.464 Base-Backbone interact. energy: -0.700 local terms energy: -389.928066 where: bonds (distance) C4'-P energy: -72.535 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -80.628 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -114.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1224.857776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.857776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.857776 (E_RNA) where: Base-Base interactions energy: -859.345 where: short stacking energy: -360.822 Base-Backbone interact. energy: -1.181 local terms energy: -364.331092 where: bonds (distance) C4'-P energy: -67.047 bonds (distance) P-C4' energy: -64.183 flat angles C4'-P-C4' energy: -76.115 flat angles P-C4'-P energy: -53.058 tors. eta vs tors. theta energy: -103.927 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: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1117.704991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.704991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.704991 (E_RNA) where: Base-Base interactions energy: -774.801 where: short stacking energy: -314.868 Base-Backbone interact. energy: 1.499 local terms energy: -344.402689 where: bonds (distance) C4'-P energy: -72.944 bonds (distance) P-C4' energy: -63.096 flat angles C4'-P-C4' energy: -77.499 flat angles P-C4'-P energy: -44.516 tors. eta vs tors. theta energy: -86.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1083.936462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.936462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.936462 (E_RNA) where: Base-Base interactions energy: -762.662 where: short stacking energy: -321.708 Base-Backbone interact. energy: -0.759 local terms energy: -320.514624 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -63.731 flat angles C4'-P-C4' energy: -71.607 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -82.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -980.741312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.741312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.741312 (E_RNA) where: Base-Base interactions energy: -679.851 where: short stacking energy: -304.648 Base-Backbone interact. energy: 1.179 local terms energy: -302.069003 where: bonds (distance) C4'-P energy: -57.143 bonds (distance) P-C4' energy: -56.935 flat angles C4'-P-C4' energy: -59.931 flat angles P-C4'-P energy: -44.981 tors. eta vs tors. theta energy: -83.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -943.796492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.796492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.796492 (E_RNA) where: Base-Base interactions energy: -642.095 where: short stacking energy: -287.651 Base-Backbone interact. energy: -1.920 local terms energy: -299.780748 where: bonds (distance) C4'-P energy: -50.765 bonds (distance) P-C4' energy: -64.789 flat angles C4'-P-C4' energy: -71.047 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -67.370 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: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -816.868497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.868497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.868497 (E_RNA) where: Base-Base interactions energy: -553.177 where: short stacking energy: -242.928 Base-Backbone interact. energy: 2.329 local terms energy: -266.021139 where: bonds (distance) C4'-P energy: -44.897 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -63.458 flat angles P-C4'-P energy: -28.651 tors. eta vs tors. theta energy: -66.353 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: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -548.288409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.288409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.288409 (E_RNA) where: Base-Base interactions energy: -329.249 where: short stacking energy: -182.974 Base-Backbone interact. energy: -1.651 local terms energy: -217.388682 where: bonds (distance) C4'-P energy: -51.844 bonds (distance) P-C4' energy: -56.212 flat angles C4'-P-C4' energy: -47.705 flat angles P-C4'-P energy: -42.638 tors. eta vs tors. theta energy: -18.990 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: 10, replica: 2 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -530.471393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.471393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.471393 (E_RNA) where: Base-Base interactions energy: -299.166 where: short stacking energy: -152.212 Base-Backbone interact. energy: -1.988 local terms energy: -229.317581 where: bonds (distance) C4'-P energy: -54.316 bonds (distance) P-C4' energy: -57.515 flat angles C4'-P-C4' energy: -57.365 flat angles P-C4'-P energy: -39.883 tors. eta vs tors. theta energy: -20.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1329.279911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.279911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.279911 (E_RNA) where: Base-Base interactions energy: -939.983 where: short stacking energy: -421.417 Base-Backbone interact. energy: -0.489 local terms energy: -388.808575 where: bonds (distance) C4'-P energy: -74.366 bonds (distance) P-C4' energy: -68.057 flat angles C4'-P-C4' energy: -81.891 flat angles P-C4'-P energy: -49.114 tors. eta vs tors. theta energy: -115.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1242.609062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.609062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.609062 (E_RNA) where: Base-Base interactions energy: -890.358 where: short stacking energy: -359.565 Base-Backbone interact. energy: -0.891 local terms energy: -351.360407 where: bonds (distance) C4'-P energy: -61.204 bonds (distance) P-C4' energy: -62.947 flat angles C4'-P-C4' energy: -81.584 flat angles P-C4'-P energy: -51.379 tors. eta vs tors. theta energy: -94.247 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: 183 Temperature: 1.000000 Total energy: -1231.305938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.305938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.305938 (E_RNA) where: Base-Base interactions energy: -856.251 where: short stacking energy: -361.966 Base-Backbone interact. energy: 0.821 local terms energy: -375.875907 where: bonds (distance) C4'-P energy: -69.615 bonds (distance) P-C4' energy: -71.311 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -55.823 tors. eta vs tors. theta energy: -106.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1120.538028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.538028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.538028 (E_RNA) where: Base-Base interactions energy: -810.585 where: short stacking energy: -322.076 Base-Backbone interact. energy: -1.567 local terms energy: -308.386551 where: bonds (distance) C4'-P energy: -49.396 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -70.755 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: -92.138 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: 183 Temperature: 1.100000 Total energy: -1077.201018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.201018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.201018 (E_RNA) where: Base-Base interactions energy: -759.195 where: short stacking energy: -324.225 Base-Backbone interact. energy: -0.500 local terms energy: -317.505761 where: bonds (distance) C4'-P energy: -54.244 bonds (distance) P-C4' energy: -63.573 flat angles C4'-P-C4' energy: -71.972 flat angles P-C4'-P energy: -43.097 tors. eta vs tors. theta energy: -84.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1021.467982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.467982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.467982 (E_RNA) where: Base-Base interactions energy: -705.573 where: short stacking energy: -304.423 Base-Backbone interact. energy: 1.215 local terms energy: -317.109812 where: bonds (distance) C4'-P energy: -55.731 bonds (distance) P-C4' energy: -68.507 flat angles C4'-P-C4' energy: -67.976 flat angles P-C4'-P energy: -46.210 tors. eta vs tors. theta energy: -78.687 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: 10 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -938.325401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.325401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.325401 (E_RNA) where: Base-Base interactions energy: -634.973 where: short stacking energy: -295.359 Base-Backbone interact. energy: -1.447 local terms energy: -301.905651 where: bonds (distance) C4'-P energy: -51.013 bonds (distance) P-C4' energy: -65.026 flat angles C4'-P-C4' energy: -66.163 flat angles P-C4'-P energy: -42.608 tors. eta vs tors. theta energy: -77.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -830.265243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.265243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.265243 (E_RNA) where: Base-Base interactions energy: -584.258 where: short stacking energy: -241.106 Base-Backbone interact. energy: -0.521 local terms energy: -245.486848 where: bonds (distance) C4'-P energy: -50.427 bonds (distance) P-C4' energy: -55.227 flat angles C4'-P-C4' energy: -60.204 flat angles P-C4'-P energy: -27.441 tors. eta vs tors. theta energy: -52.188 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: 183 Temperature: 1.300000 Total energy: -573.881978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.881978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.881978 (E_RNA) where: Base-Base interactions energy: -330.142 where: short stacking energy: -166.063 Base-Backbone interact. energy: -2.504 local terms energy: -241.236066 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -57.058 flat angles P-C4'-P energy: -39.619 tors. eta vs tors. theta energy: -24.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -501.360180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.360180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.360180 (E_RNA) where: Base-Base interactions energy: -313.444 where: short stacking energy: -168.330 Base-Backbone interact. energy: 0.266 local terms energy: -188.182357 where: bonds (distance) C4'-P energy: -45.670 bonds (distance) P-C4' energy: -56.228 flat angles C4'-P-C4' energy: -48.048 flat angles P-C4'-P energy: -26.170 tors. eta vs tors. theta energy: -12.066 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: 4 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1316.818341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.818341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.818341 (E_RNA) where: Base-Base interactions energy: -919.804 where: short stacking energy: -387.515 Base-Backbone interact. energy: -0.077 local terms energy: -396.937755 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -73.829 flat angles C4'-P-C4' energy: -81.660 flat angles P-C4'-P energy: -56.947 tors. eta vs tors. theta energy: -113.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1245.038118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.038118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.038118 (E_RNA) where: Base-Base interactions energy: -890.517 where: short stacking energy: -364.630 Base-Backbone interact. energy: -0.266 local terms energy: -354.254568 where: bonds (distance) C4'-P energy: -63.480 bonds (distance) P-C4' energy: -73.439 flat angles C4'-P-C4' energy: -75.079 flat angles P-C4'-P energy: -52.016 tors. eta vs tors. theta energy: -90.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1223.559485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.559485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.559485 (E_RNA) where: Base-Base interactions energy: -873.573 where: short stacking energy: -369.239 Base-Backbone interact. energy: -0.164 local terms energy: -349.821949 where: bonds (distance) C4'-P energy: -62.210 bonds (distance) P-C4' energy: -78.095 flat angles C4'-P-C4' energy: -66.016 flat angles P-C4'-P energy: -46.373 tors. eta vs tors. theta energy: -97.128 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: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1123.881410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.881410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.881410 (E_RNA) where: Base-Base interactions energy: -793.205 where: short stacking energy: -326.994 Base-Backbone interact. energy: -1.174 local terms energy: -329.502307 where: bonds (distance) C4'-P energy: -61.122 bonds (distance) P-C4' energy: -68.911 flat angles C4'-P-C4' energy: -61.113 flat angles P-C4'-P energy: -52.371 tors. eta vs tors. theta energy: -85.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1079.787326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.787326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.787326 (E_RNA) where: Base-Base interactions energy: -748.696 where: short stacking energy: -310.062 Base-Backbone interact. energy: -0.879 local terms energy: -330.211569 where: bonds (distance) C4'-P energy: -53.537 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -68.098 flat angles P-C4'-P energy: -53.631 tors. eta vs tors. theta energy: -89.881 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: 3 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -986.703871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.703871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.703871 (E_RNA) where: Base-Base interactions energy: -685.193 where: short stacking energy: -303.669 Base-Backbone interact. energy: -0.571 local terms energy: -300.939657 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -61.860 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -78.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -919.331989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.331989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.331989 (E_RNA) where: Base-Base interactions energy: -610.610 where: short stacking energy: -265.068 Base-Backbone interact. energy: -1.756 local terms energy: -306.966039 where: bonds (distance) C4'-P energy: -66.038 bonds (distance) P-C4' energy: -64.687 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -41.499 tors. eta vs tors. theta energy: -74.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -821.906072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.906072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.906072 (E_RNA) where: Base-Base interactions energy: -545.822 where: short stacking energy: -256.228 Base-Backbone interact. energy: 0.021 local terms energy: -276.104702 where: bonds (distance) C4'-P energy: -45.639 bonds (distance) P-C4' energy: -61.191 flat angles C4'-P-C4' energy: -68.690 flat angles P-C4'-P energy: -32.574 tors. eta vs tors. theta energy: -68.011 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: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -518.239266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.239266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.239266 (E_RNA) where: Base-Base interactions energy: -300.263 where: short stacking energy: -140.859 Base-Backbone interact. energy: -1.414 local terms energy: -216.562148 where: bonds (distance) C4'-P energy: -64.120 bonds (distance) P-C4' energy: -58.150 flat angles C4'-P-C4' energy: -63.006 flat angles P-C4'-P energy: -24.739 tors. eta vs tors. theta energy: -6.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -538.222118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.222118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.222118 (E_RNA) where: Base-Base interactions energy: -326.658 where: short stacking energy: -170.384 Base-Backbone interact. energy: 5.000 local terms energy: -216.563758 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -41.814 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -33.073 tors. eta vs tors. theta energy: -24.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1332.735988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.735988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.735988 (E_RNA) where: Base-Base interactions energy: -938.434 where: short stacking energy: -422.960 Base-Backbone interact. energy: -1.056 local terms energy: -393.245525 where: bonds (distance) C4'-P energy: -68.769 bonds (distance) P-C4' energy: -64.897 flat angles C4'-P-C4' energy: -83.269 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -121.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1253.879256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.879256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.879256 (E_RNA) where: Base-Base interactions energy: -888.882 where: short stacking energy: -361.675 Base-Backbone interact. energy: -0.281 local terms energy: -364.716721 where: bonds (distance) C4'-P energy: -72.557 bonds (distance) P-C4' energy: -63.365 flat angles C4'-P-C4' energy: -78.729 flat angles P-C4'-P energy: -52.286 tors. eta vs tors. theta energy: -97.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1205.578413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.578413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.578413 (E_RNA) where: Base-Base interactions energy: -845.855 where: short stacking energy: -360.660 Base-Backbone interact. energy: -2.849 local terms energy: -356.874194 where: bonds (distance) C4'-P energy: -69.396 bonds (distance) P-C4' energy: -65.561 flat angles C4'-P-C4' energy: -77.154 flat angles P-C4'-P energy: -46.789 tors. eta vs tors. theta energy: -97.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1144.379638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.379638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.379638 (E_RNA) where: Base-Base interactions energy: -809.429 where: short stacking energy: -347.481 Base-Backbone interact. energy: -0.872 local terms energy: -334.078261 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -67.748 flat angles C4'-P-C4' energy: -64.157 flat angles P-C4'-P energy: -49.239 tors. eta vs tors. theta energy: -91.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1082.543813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.543813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.543813 (E_RNA) where: Base-Base interactions energy: -772.086 where: short stacking energy: -323.419 Base-Backbone interact. energy: 1.827 local terms energy: -312.284448 where: bonds (distance) C4'-P energy: -60.962 bonds (distance) P-C4' energy: -54.602 flat angles C4'-P-C4' energy: -78.921 flat angles P-C4'-P energy: -41.541 tors. eta vs tors. theta energy: -76.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1020.415709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.415709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.415709 (E_RNA) where: Base-Base interactions energy: -698.032 where: short stacking energy: -306.282 Base-Backbone interact. energy: 1.795 local terms energy: -324.178632 where: bonds (distance) C4'-P energy: -54.818 bonds (distance) P-C4' energy: -72.714 flat angles C4'-P-C4' energy: -61.029 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -86.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -917.998465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.998465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.998465 (E_RNA) where: Base-Base interactions energy: -614.022 where: short stacking energy: -253.956 Base-Backbone interact. energy: 0.885 local terms energy: -304.861688 where: bonds (distance) C4'-P energy: -65.041 bonds (distance) P-C4' energy: -72.044 flat angles C4'-P-C4' energy: -67.735 flat angles P-C4'-P energy: -39.004 tors. eta vs tors. theta energy: -61.039 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: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -788.045553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.045553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.045553 (E_RNA) where: Base-Base interactions energy: -529.852 where: short stacking energy: -241.728 Base-Backbone interact. energy: -1.170 local terms energy: -257.024133 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -67.037 flat angles C4'-P-C4' energy: -43.195 flat angles P-C4'-P energy: -37.404 tors. eta vs tors. theta energy: -46.685 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: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -482.937294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.937294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.937294 (E_RNA) where: Base-Base interactions energy: -260.268 where: short stacking energy: -143.586 Base-Backbone interact. energy: -1.062 local terms energy: -221.606928 where: bonds (distance) C4'-P energy: -57.751 bonds (distance) P-C4' energy: -51.818 flat angles C4'-P-C4' energy: -54.842 flat angles P-C4'-P energy: -31.553 tors. eta vs tors. theta energy: -25.643 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: 1 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -529.345341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.345341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.345341 (E_RNA) where: Base-Base interactions energy: -333.016 where: short stacking energy: -162.999 Base-Backbone interact. energy: 1.684 local terms energy: -198.013597 where: bonds (distance) C4'-P energy: -55.558 bonds (distance) P-C4' energy: -39.180 flat angles C4'-P-C4' energy: -53.213 flat angles P-C4'-P energy: -25.807 tors. eta vs tors. theta energy: -24.255 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: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1310.355342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.355342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.355342 (E_RNA) where: Base-Base interactions energy: -924.504 where: short stacking energy: -388.216 Base-Backbone interact. energy: -0.508 local terms energy: -385.344028 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -86.604 flat angles P-C4'-P energy: -54.420 tors. eta vs tors. theta energy: -110.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1266.215787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.215787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.215787 (E_RNA) where: Base-Base interactions energy: -906.369 where: short stacking energy: -374.064 Base-Backbone interact. energy: -1.510 local terms energy: -358.337134 where: bonds (distance) C4'-P energy: -69.077 bonds (distance) P-C4' energy: -70.905 flat angles C4'-P-C4' energy: -79.122 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -93.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1238.449079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.449079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.449079 (E_RNA) where: Base-Base interactions energy: -875.267 where: short stacking energy: -368.441 Base-Backbone interact. energy: -0.457 local terms energy: -362.725249 where: bonds (distance) C4'-P energy: -65.772 bonds (distance) P-C4' energy: -61.567 flat angles C4'-P-C4' energy: -80.574 flat angles P-C4'-P energy: -46.656 tors. eta vs tors. theta energy: -108.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1158.206402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.206402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.206402 (E_RNA) where: Base-Base interactions energy: -816.179 where: short stacking energy: -347.286 Base-Backbone interact. energy: -0.055 local terms energy: -341.972270 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -68.060 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -95.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1066.722992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.722992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.722992 (E_RNA) where: Base-Base interactions energy: -724.339 where: short stacking energy: -331.725 Base-Backbone interact. energy: 1.220 local terms energy: -343.603331 where: bonds (distance) C4'-P energy: -61.802 bonds (distance) P-C4' energy: -68.381 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -48.433 tors. eta vs tors. theta energy: -90.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1060.711940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.711940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.711940 (E_RNA) where: Base-Base interactions energy: -747.031 where: short stacking energy: -295.516 Base-Backbone interact. energy: 2.257 local terms energy: -315.937772 where: bonds (distance) C4'-P energy: -48.318 bonds (distance) P-C4' energy: -67.274 flat angles C4'-P-C4' energy: -73.196 flat angles P-C4'-P energy: -42.635 tors. eta vs tors. theta energy: -84.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -913.251772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.251772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.251772 (E_RNA) where: Base-Base interactions energy: -636.143 where: short stacking energy: -266.553 Base-Backbone interact. energy: 0.350 local terms energy: -277.459182 where: bonds (distance) C4'-P energy: -59.284 bonds (distance) P-C4' energy: -56.371 flat angles C4'-P-C4' energy: -59.838 flat angles P-C4'-P energy: -36.320 tors. eta vs tors. theta energy: -65.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -791.784218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.784218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.784218 (E_RNA) where: Base-Base interactions energy: -538.164 where: short stacking energy: -224.302 Base-Backbone interact. energy: -2.528 local terms energy: -251.092064 where: bonds (distance) C4'-P energy: -58.512 bonds (distance) P-C4' energy: -61.480 flat angles C4'-P-C4' energy: -48.668 flat angles P-C4'-P energy: -37.681 tors. eta vs tors. theta energy: -44.750 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: 9, replica: 1 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -542.626268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.626268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.626268 (E_RNA) where: Base-Base interactions energy: -300.978 where: short stacking energy: -161.049 Base-Backbone interact. energy: 0.299 local terms energy: -241.947540 where: bonds (distance) C4'-P energy: -55.759 bonds (distance) P-C4' energy: -51.221 flat angles C4'-P-C4' energy: -61.878 flat angles P-C4'-P energy: -40.201 tors. eta vs tors. theta energy: -32.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -445.088476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.088476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.088476 (E_RNA) where: Base-Base interactions energy: -241.697 where: short stacking energy: -136.118 Base-Backbone interact. energy: 0.640 local terms energy: -204.031525 where: bonds (distance) C4'-P energy: -45.238 bonds (distance) P-C4' energy: -61.964 flat angles C4'-P-C4' energy: -58.183 flat angles P-C4'-P energy: -24.876 tors. eta vs tors. theta energy: -13.770 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: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1303.009069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.009069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.009069 (E_RNA) where: Base-Base interactions energy: -917.147 where: short stacking energy: -389.898 Base-Backbone interact. energy: -0.538 local terms energy: -385.323157 where: bonds (distance) C4'-P energy: -66.892 bonds (distance) P-C4' energy: -66.346 flat angles C4'-P-C4' energy: -83.604 flat angles P-C4'-P energy: -54.323 tors. eta vs tors. theta energy: -114.158 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: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1242.691849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.691849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.691849 (E_RNA) where: Base-Base interactions energy: -884.453 where: short stacking energy: -353.270 Base-Backbone interact. energy: -1.435 local terms energy: -356.804096 where: bonds (distance) C4'-P energy: -76.966 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -44.156 tors. eta vs tors. theta energy: -89.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1241.433205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.433205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.433205 (E_RNA) where: Base-Base interactions energy: -851.499 where: short stacking energy: -358.087 Base-Backbone interact. energy: -0.392 local terms energy: -389.542202 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -71.002 flat angles C4'-P-C4' energy: -81.316 flat angles P-C4'-P energy: -52.521 tors. eta vs tors. theta energy: -104.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1139.607007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.607007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.607007 (E_RNA) where: Base-Base interactions energy: -793.796 where: short stacking energy: -344.091 Base-Backbone interact. energy: -0.776 local terms energy: -345.034873 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -59.944 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -96.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1041.372019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.372019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.372019 (E_RNA) where: Base-Base interactions energy: -702.914 where: short stacking energy: -307.666 Base-Backbone interact. energy: -1.782 local terms energy: -336.676514 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -64.815 flat angles C4'-P-C4' energy: -71.873 flat angles P-C4'-P energy: -62.316 tors. eta vs tors. theta energy: -80.035 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: 187 Temperature: 1.150000 Total energy: -1059.137289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.137289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.137289 (E_RNA) where: Base-Base interactions energy: -758.739 where: short stacking energy: -295.910 Base-Backbone interact. energy: 4.147 local terms energy: -304.545011 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -70.035 flat angles C4'-P-C4' energy: -75.350 flat angles P-C4'-P energy: -35.363 tors. eta vs tors. theta energy: -74.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -931.439442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.439442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.439442 (E_RNA) where: Base-Base interactions energy: -625.892 where: short stacking energy: -249.984 Base-Backbone interact. energy: -1.758 local terms energy: -303.789281 where: bonds (distance) C4'-P energy: -58.675 bonds (distance) P-C4' energy: -64.564 flat angles C4'-P-C4' energy: -64.127 flat angles P-C4'-P energy: -54.195 tors. eta vs tors. theta energy: -62.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -884.780749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.780749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.780749 (E_RNA) where: Base-Base interactions energy: -606.067 where: short stacking energy: -263.078 Base-Backbone interact. energy: 3.923 local terms energy: -282.636072 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -65.356 flat angles C4'-P-C4' energy: -59.218 flat angles P-C4'-P energy: -25.738 tors. eta vs tors. theta energy: -71.727 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: 1 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -581.323619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.323619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.323619 (E_RNA) where: Base-Base interactions energy: -349.089 where: short stacking energy: -182.624 Base-Backbone interact. energy: 3.113 local terms energy: -235.347566 where: bonds (distance) C4'-P energy: -52.425 bonds (distance) P-C4' energy: -55.193 flat angles C4'-P-C4' energy: -64.347 flat angles P-C4'-P energy: -39.034 tors. eta vs tors. theta energy: -24.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -501.449864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.449864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.449864 (E_RNA) where: Base-Base interactions energy: -286.388 where: short stacking energy: -148.136 Base-Backbone interact. energy: 4.203 local terms energy: -219.265521 where: bonds (distance) C4'-P energy: -53.627 bonds (distance) P-C4' energy: -63.952 flat angles C4'-P-C4' energy: -50.364 flat angles P-C4'-P energy: -36.491 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1324.356029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.356029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.356029 (E_RNA) where: Base-Base interactions energy: -946.609 where: short stacking energy: -402.674 Base-Backbone interact. energy: -1.579 local terms energy: -376.167874 where: bonds (distance) C4'-P energy: -59.162 bonds (distance) P-C4' energy: -68.047 flat angles C4'-P-C4' energy: -76.278 flat angles P-C4'-P energy: -54.316 tors. eta vs tors. theta energy: -118.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1239.386410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.386410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.386410 (E_RNA) where: Base-Base interactions energy: -875.007 where: short stacking energy: -357.447 Base-Backbone interact. energy: -1.219 local terms energy: -363.160425 where: bonds (distance) C4'-P energy: -69.127 bonds (distance) P-C4' energy: -67.964 flat angles C4'-P-C4' energy: -78.075 flat angles P-C4'-P energy: -55.337 tors. eta vs tors. theta energy: -92.658 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: 188 Temperature: 1.000000 Total energy: -1229.743678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.743678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.743678 (E_RNA) where: Base-Base interactions energy: -864.775 where: short stacking energy: -360.420 Base-Backbone interact. energy: -0.263 local terms energy: -364.705553 where: bonds (distance) C4'-P energy: -70.560 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -70.600 flat angles P-C4'-P energy: -50.250 tors. eta vs tors. theta energy: -102.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1106.876632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.876632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.876632 (E_RNA) where: Base-Base interactions energy: -773.404 where: short stacking energy: -325.444 Base-Backbone interact. energy: -1.073 local terms energy: -332.399417 where: bonds (distance) C4'-P energy: -69.703 bonds (distance) P-C4' energy: -61.544 flat angles C4'-P-C4' energy: -78.055 flat angles P-C4'-P energy: -38.410 tors. eta vs tors. theta energy: -84.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1065.195309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.195309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.195309 (E_RNA) where: Base-Base interactions energy: -745.372 where: short stacking energy: -297.282 Base-Backbone interact. energy: 2.507 local terms energy: -322.329693 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -43.300 tors. eta vs tors. theta energy: -69.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1017.112854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.112854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.112854 (E_RNA) where: Base-Base interactions energy: -695.944 where: short stacking energy: -297.945 Base-Backbone interact. energy: -0.543 local terms energy: -320.625389 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -60.509 flat angles C4'-P-C4' energy: -77.976 flat angles P-C4'-P energy: -40.220 tors. eta vs tors. theta energy: -81.753 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: 10 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -916.692059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.692059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.692059 (E_RNA) where: Base-Base interactions energy: -612.018 where: short stacking energy: -267.276 Base-Backbone interact. energy: -0.396 local terms energy: -304.278073 where: bonds (distance) C4'-P energy: -66.085 bonds (distance) P-C4' energy: -59.919 flat angles C4'-P-C4' energy: -76.224 flat angles P-C4'-P energy: -35.294 tors. eta vs tors. theta energy: -66.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -877.268547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.268547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.268547 (E_RNA) where: Base-Base interactions energy: -589.143 where: short stacking energy: -242.197 Base-Backbone interact. energy: -0.779 local terms energy: -287.346817 where: bonds (distance) C4'-P energy: -60.298 bonds (distance) P-C4' energy: -66.518 flat angles C4'-P-C4' energy: -69.169 flat angles P-C4'-P energy: -34.290 tors. eta vs tors. theta energy: -57.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -509.054509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.054509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.054509 (E_RNA) where: Base-Base interactions energy: -280.885 where: short stacking energy: -156.638 Base-Backbone interact. energy: 0.544 local terms energy: -228.713272 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -69.546 flat angles C4'-P-C4' energy: -53.861 flat angles P-C4'-P energy: -15.650 tors. eta vs tors. theta energy: -34.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -531.526954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.526954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.526954 (E_RNA) where: Base-Base interactions energy: -294.123 where: short stacking energy: -164.718 Base-Backbone interact. energy: -1.327 local terms energy: -236.077357 where: bonds (distance) C4'-P energy: -60.014 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -59.281 flat angles P-C4'-P energy: -27.904 tors. eta vs tors. theta energy: -29.333 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: 4 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1318.856367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.856367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.856367 (E_RNA) where: Base-Base interactions energy: -931.348 where: short stacking energy: -391.757 Base-Backbone interact. energy: -0.689 local terms energy: -386.819398 where: bonds (distance) C4'-P energy: -69.361 bonds (distance) P-C4' energy: -72.972 flat angles C4'-P-C4' energy: -79.007 flat angles P-C4'-P energy: -55.403 tors. eta vs tors. theta energy: -110.076 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: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1242.006962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.006962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.006962 (E_RNA) where: Base-Base interactions energy: -895.885 where: short stacking energy: -364.907 Base-Backbone interact. energy: -0.489 local terms energy: -345.633895 where: bonds (distance) C4'-P energy: -67.644 bonds (distance) P-C4' energy: -68.020 flat angles C4'-P-C4' energy: -70.598 flat angles P-C4'-P energy: -49.400 tors. eta vs tors. theta energy: -89.972 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: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1201.537717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.537717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.537717 (E_RNA) where: Base-Base interactions energy: -837.902 where: short stacking energy: -369.319 Base-Backbone interact. energy: -0.932 local terms energy: -362.703096 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -106.239 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: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1127.803360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.803360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.803360 (E_RNA) where: Base-Base interactions energy: -799.956 where: short stacking energy: -340.739 Base-Backbone interact. energy: 0.775 local terms energy: -328.622899 where: bonds (distance) C4'-P energy: -50.354 bonds (distance) P-C4' energy: -69.623 flat angles C4'-P-C4' energy: -74.430 flat angles P-C4'-P energy: -51.374 tors. eta vs tors. theta energy: -82.843 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: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1054.330534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.330534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.330534 (E_RNA) where: Base-Base interactions energy: -745.488 where: short stacking energy: -307.553 Base-Backbone interact. energy: 4.280 local terms energy: -313.121955 where: bonds (distance) C4'-P energy: -52.446 bonds (distance) P-C4' energy: -66.320 flat angles C4'-P-C4' energy: -74.563 flat angles P-C4'-P energy: -52.726 tors. eta vs tors. theta energy: -67.068 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: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1026.887497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.887497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.887497 (E_RNA) where: Base-Base interactions energy: -708.189 where: short stacking energy: -310.063 Base-Backbone interact. energy: -0.372 local terms energy: -318.326461 where: bonds (distance) C4'-P energy: -54.158 bonds (distance) P-C4' energy: -58.448 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -50.740 tors. eta vs tors. theta energy: -79.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -910.285533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.285533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.285533 (E_RNA) where: Base-Base interactions energy: -617.747 where: short stacking energy: -279.762 Base-Backbone interact. energy: 0.608 local terms energy: -293.146232 where: bonds (distance) C4'-P energy: -63.626 bonds (distance) P-C4' energy: -63.393 flat angles C4'-P-C4' energy: -69.350 flat angles P-C4'-P energy: -38.118 tors. eta vs tors. theta energy: -58.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -916.300871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.300871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.300871 (E_RNA) where: Base-Base interactions energy: -616.788 where: short stacking energy: -258.855 Base-Backbone interact. energy: -1.972 local terms energy: -297.541226 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -60.289 flat angles C4'-P-C4' energy: -66.647 flat angles P-C4'-P energy: -41.734 tors. eta vs tors. theta energy: -64.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -497.487824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.487824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.487824 (E_RNA) where: Base-Base interactions energy: -256.855 where: short stacking energy: -149.626 Base-Backbone interact. energy: -1.170 local terms energy: -239.462348 where: bonds (distance) C4'-P energy: -59.428 bonds (distance) P-C4' energy: -69.320 flat angles C4'-P-C4' energy: -61.011 flat angles P-C4'-P energy: -30.963 tors. eta vs tors. theta energy: -18.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -531.891798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.891798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.891798 (E_RNA) where: Base-Base interactions energy: -305.845 where: short stacking energy: -162.043 Base-Backbone interact. energy: -1.419 local terms energy: -224.627794 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -52.711 flat angles C4'-P-C4' energy: -50.638 flat angles P-C4'-P energy: -41.411 tors. eta vs tors. theta energy: -23.164 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: 190 Temperature: 0.900000 Total energy: -1343.455039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.455039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.455039 (E_RNA) where: Base-Base interactions energy: -929.864 where: short stacking energy: -397.973 Base-Backbone interact. energy: -1.058 local terms energy: -412.532144 where: bonds (distance) C4'-P energy: -73.755 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -89.135 flat angles P-C4'-P energy: -57.086 tors. eta vs tors. theta energy: -119.293 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: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1252.988687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.988687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.988687 (E_RNA) where: Base-Base interactions energy: -893.374 where: short stacking energy: -373.336 Base-Backbone interact. energy: 3.110 local terms energy: -362.725401 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -76.101 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -51.597 tors. eta vs tors. theta energy: -92.999 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: 190 Temperature: 1.000000 Total energy: -1197.622655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.622655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.622655 (E_RNA) where: Base-Base interactions energy: -832.937 where: short stacking energy: -360.697 Base-Backbone interact. energy: 1.904 local terms energy: -366.590044 where: bonds (distance) C4'-P energy: -62.088 bonds (distance) P-C4' energy: -67.092 flat angles C4'-P-C4' energy: -79.771 flat angles P-C4'-P energy: -55.316 tors. eta vs tors. theta energy: -102.324 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: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1090.951674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.951674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.951674 (E_RNA) where: Base-Base interactions energy: -759.880 where: short stacking energy: -318.243 Base-Backbone interact. energy: -1.253 local terms energy: -329.818214 where: bonds (distance) C4'-P energy: -66.749 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -77.153 flat angles P-C4'-P energy: -36.679 tors. eta vs tors. theta energy: -79.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1074.920962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.920962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.920962 (E_RNA) where: Base-Base interactions energy: -747.318 where: short stacking energy: -298.657 Base-Backbone interact. energy: 0.122 local terms energy: -327.724639 where: bonds (distance) C4'-P energy: -61.812 bonds (distance) P-C4' energy: -66.965 flat angles C4'-P-C4' energy: -75.483 flat angles P-C4'-P energy: -48.063 tors. eta vs tors. theta energy: -75.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -976.783674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.783674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.783674 (E_RNA) where: Base-Base interactions energy: -663.852 where: short stacking energy: -285.584 Base-Backbone interact. energy: 0.137 local terms energy: -313.068558 where: bonds (distance) C4'-P energy: -66.185 bonds (distance) P-C4' energy: -60.979 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -84.448 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: 190 Temperature: 1.200000 Total energy: -953.087869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.087869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.087869 (E_RNA) where: Base-Base interactions energy: -658.283 where: short stacking energy: -287.899 Base-Backbone interact. energy: -1.004 local terms energy: -293.801464 where: bonds (distance) C4'-P energy: -58.091 bonds (distance) P-C4' energy: -56.421 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -57.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -847.245905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.245905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.245905 (E_RNA) where: Base-Base interactions energy: -580.419 where: short stacking energy: -278.186 Base-Backbone interact. energy: -0.550 local terms energy: -266.277036 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -54.352 flat angles C4'-P-C4' energy: -63.763 flat angles P-C4'-P energy: -37.259 tors. eta vs tors. theta energy: -58.370 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: 1 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -582.911928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.911928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.911928 (E_RNA) where: Base-Base interactions energy: -353.668 where: short stacking energy: -177.289 Base-Backbone interact. energy: 3.103 local terms energy: -232.347109 where: bonds (distance) C4'-P energy: -62.517 bonds (distance) P-C4' energy: -58.134 flat angles C4'-P-C4' energy: -61.015 flat angles P-C4'-P energy: -29.551 tors. eta vs tors. theta energy: -21.130 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: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -529.625909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.625909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.625909 (E_RNA) where: Base-Base interactions energy: -293.770 where: short stacking energy: -175.759 Base-Backbone interact. energy: -0.478 local terms energy: -235.377785 where: bonds (distance) C4'-P energy: -53.489 bonds (distance) P-C4' energy: -52.427 flat angles C4'-P-C4' energy: -59.348 flat angles P-C4'-P energy: -31.560 tors. eta vs tors. theta energy: -38.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1328.141331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.141331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.141331 (E_RNA) where: Base-Base interactions energy: -933.920 where: short stacking energy: -383.443 Base-Backbone interact. energy: -1.894 local terms energy: -392.327820 where: bonds (distance) C4'-P energy: -71.086 bonds (distance) P-C4' energy: -70.880 flat angles C4'-P-C4' energy: -77.388 flat angles P-C4'-P energy: -58.998 tors. eta vs tors. theta energy: -113.975 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: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1272.382573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.382573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.382573 (E_RNA) where: Base-Base interactions energy: -899.932 where: short stacking energy: -368.968 Base-Backbone interact. energy: -1.551 local terms energy: -370.899680 where: bonds (distance) C4'-P energy: -73.890 bonds (distance) P-C4' energy: -67.463 flat angles C4'-P-C4' energy: -76.624 flat angles P-C4'-P energy: -55.608 tors. eta vs tors. theta energy: -97.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1196.517951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.517951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.517951 (E_RNA) where: Base-Base interactions energy: -857.643 where: short stacking energy: -348.197 Base-Backbone interact. energy: 0.625 local terms energy: -339.499897 where: bonds (distance) C4'-P energy: -70.482 bonds (distance) P-C4' energy: -61.316 flat angles C4'-P-C4' energy: -68.638 flat angles P-C4'-P energy: -46.819 tors. eta vs tors. theta energy: -92.245 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: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1130.814559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.814559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.814559 (E_RNA) where: Base-Base interactions energy: -772.272 where: short stacking energy: -340.068 Base-Backbone interact. energy: 0.171 local terms energy: -358.713391 where: bonds (distance) C4'-P energy: -50.587 bonds (distance) P-C4' energy: -80.407 flat angles C4'-P-C4' energy: -79.729 flat angles P-C4'-P energy: -53.219 tors. eta vs tors. theta energy: -94.772 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: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1060.231274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.231274 (E_RNA) where: Base-Base interactions energy: -762.509 where: short stacking energy: -308.860 Base-Backbone interact. energy: -1.105 local terms energy: -296.618148 where: bonds (distance) C4'-P energy: -66.193 bonds (distance) P-C4' energy: -59.719 flat angles C4'-P-C4' energy: -76.678 flat angles P-C4'-P energy: -26.338 tors. eta vs tors. theta energy: -67.691 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: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -992.591203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.591203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.591203 (E_RNA) where: Base-Base interactions energy: -671.688 where: short stacking energy: -293.596 Base-Backbone interact. energy: -1.319 local terms energy: -319.584578 where: bonds (distance) C4'-P energy: -53.436 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -77.812 flat angles P-C4'-P energy: -39.498 tors. eta vs tors. theta energy: -83.820 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -925.338349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.338349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.338349 (E_RNA) where: Base-Base interactions energy: -629.405 where: short stacking energy: -261.739 Base-Backbone interact. energy: 0.794 local terms energy: -296.727870 where: bonds (distance) C4'-P energy: -62.703 bonds (distance) P-C4' energy: -63.513 flat angles C4'-P-C4' energy: -71.960 flat angles P-C4'-P energy: -41.707 tors. eta vs tors. theta energy: -56.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -795.208667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.208667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.208667 (E_RNA) where: Base-Base interactions energy: -547.408 where: short stacking energy: -213.009 Base-Backbone interact. energy: -0.421 local terms energy: -247.379955 where: bonds (distance) C4'-P energy: -44.983 bonds (distance) P-C4' energy: -57.568 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -37.904 tors. eta vs tors. theta energy: -41.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -573.970559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.970559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.970559 (E_RNA) where: Base-Base interactions energy: -339.611 where: short stacking energy: -179.770 Base-Backbone interact. energy: -0.596 local terms energy: -233.763082 where: bonds (distance) C4'-P energy: -44.763 bonds (distance) P-C4' energy: -54.949 flat angles C4'-P-C4' energy: -60.945 flat angles P-C4'-P energy: -38.907 tors. eta vs tors. theta energy: -34.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -477.687391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.687391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.687391 (E_RNA) where: Base-Base interactions energy: -265.264 where: short stacking energy: -142.600 Base-Backbone interact. energy: -1.100 local terms energy: -211.323174 where: bonds (distance) C4'-P energy: -63.175 bonds (distance) P-C4' energy: -55.852 flat angles C4'-P-C4' energy: -60.719 flat angles P-C4'-P energy: -23.768 tors. eta vs tors. theta energy: -7.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1318.613790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.613790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.613790 (E_RNA) where: Base-Base interactions energy: -912.732 where: short stacking energy: -392.034 Base-Backbone interact. energy: -0.895 local terms energy: -404.986928 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -71.191 flat angles C4'-P-C4' energy: -80.473 flat angles P-C4'-P energy: -59.932 tors. eta vs tors. theta energy: -115.630 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: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1272.217673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.217673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.217673 (E_RNA) where: Base-Base interactions energy: -908.275 where: short stacking energy: -372.248 Base-Backbone interact. energy: -0.023 local terms energy: -363.919390 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -72.267 flat angles C4'-P-C4' energy: -76.289 flat angles P-C4'-P energy: -51.504 tors. eta vs tors. theta energy: -91.903 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: 192 Temperature: 1.000000 Total energy: -1261.989008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.989008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.989008 (E_RNA) where: Base-Base interactions energy: -905.784 where: short stacking energy: -361.479 Base-Backbone interact. energy: -1.609 local terms energy: -354.595902 where: bonds (distance) C4'-P energy: -65.837 bonds (distance) P-C4' energy: -71.734 flat angles C4'-P-C4' energy: -63.290 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -105.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1109.949242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.949242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.949242 (E_RNA) where: Base-Base interactions energy: -772.246 where: short stacking energy: -337.565 Base-Backbone interact. energy: -0.381 local terms energy: -337.321687 where: bonds (distance) C4'-P energy: -58.018 bonds (distance) P-C4' energy: -66.803 flat angles C4'-P-C4' energy: -79.231 flat angles P-C4'-P energy: -45.733 tors. eta vs tors. theta energy: -87.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1063.299631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.299631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.299631 (E_RNA) where: Base-Base interactions energy: -760.430 where: short stacking energy: -307.635 Base-Backbone interact. energy: 0.685 local terms energy: -303.554622 where: bonds (distance) C4'-P energy: -58.813 bonds (distance) P-C4' energy: -61.150 flat angles C4'-P-C4' energy: -74.684 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -69.175 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: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -986.320906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.320906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.320906 (E_RNA) where: Base-Base interactions energy: -673.942 where: short stacking energy: -304.097 Base-Backbone interact. energy: -0.573 local terms energy: -311.806409 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -59.352 flat angles C4'-P-C4' energy: -75.866 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -80.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -896.797611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.797611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.797611 (E_RNA) where: Base-Base interactions energy: -602.995 where: short stacking energy: -272.073 Base-Backbone interact. energy: -0.615 local terms energy: -293.187678 where: bonds (distance) C4'-P energy: -61.570 bonds (distance) P-C4' energy: -57.422 flat angles C4'-P-C4' energy: -64.429 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -68.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -804.252686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.252686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.252686 (E_RNA) where: Base-Base interactions energy: -511.378 where: short stacking energy: -225.275 Base-Backbone interact. energy: -4.087 local terms energy: -288.788069 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -65.886 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -50.144 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: 1 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -621.142094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.142094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.142094 (E_RNA) where: Base-Base interactions energy: -364.341 where: short stacking energy: -211.565 Base-Backbone interact. energy: 0.596 local terms energy: -257.396732 where: bonds (distance) C4'-P energy: -63.089 bonds (distance) P-C4' energy: -59.653 flat angles C4'-P-C4' energy: -56.423 flat angles P-C4'-P energy: -34.271 tors. eta vs tors. theta energy: -43.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -497.425724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.425724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.425724 (E_RNA) where: Base-Base interactions energy: -261.768 where: short stacking energy: -143.698 Base-Backbone interact. energy: 1.010 local terms energy: -236.667421 where: bonds (distance) C4'-P energy: -50.182 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -61.099 flat angles P-C4'-P energy: -42.535 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1335.132153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.132153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.132153 (E_RNA) where: Base-Base interactions energy: -929.371 where: short stacking energy: -386.226 Base-Backbone interact. energy: -1.008 local terms energy: -404.753971 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -73.743 flat angles C4'-P-C4' energy: -84.812 flat angles P-C4'-P energy: -56.329 tors. eta vs tors. theta energy: -114.993 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: 9 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1269.922218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.922218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.922218 (E_RNA) where: Base-Base interactions energy: -900.388 where: short stacking energy: -371.377 Base-Backbone interact. energy: -1.982 local terms energy: -367.551580 where: bonds (distance) C4'-P energy: -69.381 bonds (distance) P-C4' energy: -65.506 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -55.618 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: 3, replica: 7 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1223.457177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.457177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.457177 (E_RNA) where: Base-Base interactions energy: -874.727 where: short stacking energy: -341.117 Base-Backbone interact. energy: -1.496 local terms energy: -347.233798 where: bonds (distance) C4'-P energy: -64.380 bonds (distance) P-C4' energy: -70.968 flat angles C4'-P-C4' energy: -81.445 flat angles P-C4'-P energy: -44.553 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: 4, replica: 6 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1072.165518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.165518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.165518 (E_RNA) where: Base-Base interactions energy: -758.060 where: short stacking energy: -303.440 Base-Backbone interact. energy: 3.137 local terms energy: -317.242470 where: bonds (distance) C4'-P energy: -54.479 bonds (distance) P-C4' energy: -68.988 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -45.614 tors. eta vs tors. theta energy: -72.962 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: 193 Temperature: 1.100000 Total energy: -1065.977694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.977694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.977694 (E_RNA) where: Base-Base interactions energy: -746.499 where: short stacking energy: -302.859 Base-Backbone interact. energy: -0.324 local terms energy: -319.154005 where: bonds (distance) C4'-P energy: -66.979 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -70.849 flat angles P-C4'-P energy: -43.022 tors. eta vs tors. theta energy: -70.723 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: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -974.576754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.576754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.576754 (E_RNA) where: Base-Base interactions energy: -674.582 where: short stacking energy: -293.473 Base-Backbone interact. energy: -0.835 local terms energy: -299.159979 where: bonds (distance) C4'-P energy: -55.157 bonds (distance) P-C4' energy: -57.427 flat angles C4'-P-C4' energy: -58.066 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: -80.252 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: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -929.606702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.606702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.606702 (E_RNA) where: Base-Base interactions energy: -619.533 where: short stacking energy: -297.341 Base-Backbone interact. energy: -0.375 local terms energy: -309.699378 where: bonds (distance) C4'-P energy: -56.985 bonds (distance) P-C4' energy: -63.889 flat angles C4'-P-C4' energy: -72.840 flat angles P-C4'-P energy: -45.237 tors. eta vs tors. theta energy: -70.749 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: 10 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -812.836395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.836395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.836395 (E_RNA) where: Base-Base interactions energy: -559.496 where: short stacking energy: -246.614 Base-Backbone interact. energy: 4.351 local terms energy: -257.691623 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -49.298 flat angles P-C4'-P energy: -29.720 tors. eta vs tors. theta energy: -57.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -619.285325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.285325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.285325 (E_RNA) where: Base-Base interactions energy: -387.802 where: short stacking energy: -222.941 Base-Backbone interact. energy: 2.167 local terms energy: -233.650413 where: bonds (distance) C4'-P energy: -53.109 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -61.261 flat angles P-C4'-P energy: -23.071 tors. eta vs tors. theta energy: -36.381 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: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -509.251550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.251550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.251550 (E_RNA) where: Base-Base interactions energy: -299.902 where: short stacking energy: -164.845 Base-Backbone interact. energy: -1.212 local terms energy: -208.137559 where: bonds (distance) C4'-P energy: -51.595 bonds (distance) P-C4' energy: -56.712 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -26.970 tors. eta vs tors. theta energy: -15.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1313.966014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.966014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.966014 (E_RNA) where: Base-Base interactions energy: -918.507 where: short stacking energy: -399.993 Base-Backbone interact. energy: 0.748 local terms energy: -396.206744 where: bonds (distance) C4'-P energy: -71.004 bonds (distance) P-C4' energy: -77.128 flat angles C4'-P-C4' energy: -80.239 flat angles P-C4'-P energy: -53.716 tors. eta vs tors. theta energy: -114.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1260.724515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.724515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.724515 (E_RNA) where: Base-Base interactions energy: -919.002 where: short stacking energy: -368.966 Base-Backbone interact. energy: -0.866 local terms energy: -340.856760 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -55.900 flat angles C4'-P-C4' energy: -72.265 flat angles P-C4'-P energy: -47.289 tors. eta vs tors. theta energy: -95.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1245.230665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.230665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.230665 (E_RNA) where: Base-Base interactions energy: -883.319 where: short stacking energy: -361.039 Base-Backbone interact. energy: 0.829 local terms energy: -362.740590 where: bonds (distance) C4'-P energy: -67.422 bonds (distance) P-C4' energy: -76.250 flat angles C4'-P-C4' energy: -77.143 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -91.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1085.321228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.321228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.321228 (E_RNA) where: Base-Base interactions energy: -776.067 where: short stacking energy: -285.545 Base-Backbone interact. energy: 0.233 local terms energy: -309.486486 where: bonds (distance) C4'-P energy: -68.755 bonds (distance) P-C4' energy: -64.957 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -36.103 tors. eta vs tors. theta energy: -71.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1081.312990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.312990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.312990 (E_RNA) where: Base-Base interactions energy: -744.669 where: short stacking energy: -303.596 Base-Backbone interact. energy: -3.325 local terms energy: -333.319172 where: bonds (distance) C4'-P energy: -70.177 bonds (distance) P-C4' energy: -64.736 flat angles C4'-P-C4' energy: -69.860 flat angles P-C4'-P energy: -49.550 tors. eta vs tors. theta energy: -78.996 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: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -981.595607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.595607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.595607 (E_RNA) where: Base-Base interactions energy: -667.685 where: short stacking energy: -294.695 Base-Backbone interact. energy: 1.569 local terms energy: -315.479728 where: bonds (distance) C4'-P energy: -61.492 bonds (distance) P-C4' energy: -65.349 flat angles C4'-P-C4' energy: -73.020 flat angles P-C4'-P energy: -44.404 tors. eta vs tors. theta energy: -71.215 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: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -922.773662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.773662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.773662 (E_RNA) where: Base-Base interactions energy: -648.768 where: short stacking energy: -282.785 Base-Backbone interact. energy: 0.977 local terms energy: -274.983250 where: bonds (distance) C4'-P energy: -60.512 bonds (distance) P-C4' energy: -56.097 flat angles C4'-P-C4' energy: -57.654 flat angles P-C4'-P energy: -40.734 tors. eta vs tors. theta energy: -59.986 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: 10 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -838.062467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.062467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.062467 (E_RNA) where: Base-Base interactions energy: -571.423 where: short stacking energy: -246.651 Base-Backbone interact. energy: -0.866 local terms energy: -265.773715 where: bonds (distance) C4'-P energy: -54.426 bonds (distance) P-C4' energy: -61.514 flat angles C4'-P-C4' energy: -59.799 flat angles P-C4'-P energy: -35.247 tors. eta vs tors. theta energy: -54.788 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: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -577.116316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.116316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.116316 (E_RNA) where: Base-Base interactions energy: -347.575 where: short stacking energy: -187.446 Base-Backbone interact. energy: 0.494 local terms energy: -230.035002 where: bonds (distance) C4'-P energy: -50.282 bonds (distance) P-C4' energy: -59.922 flat angles C4'-P-C4' energy: -67.806 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -13.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -478.079041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.079041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.079041 (E_RNA) where: Base-Base interactions energy: -253.028 where: short stacking energy: -136.545 Base-Backbone interact. energy: -0.136 local terms energy: -224.915355 where: bonds (distance) C4'-P energy: -59.506 bonds (distance) P-C4' energy: -59.680 flat angles C4'-P-C4' energy: -61.271 flat angles P-C4'-P energy: -28.366 tors. eta vs tors. theta energy: -16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1296.344447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.344447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.344447 (E_RNA) where: Base-Base interactions energy: -909.618 where: short stacking energy: -380.829 Base-Backbone interact. energy: -1.323 local terms energy: -385.404328 where: bonds (distance) C4'-P energy: -65.012 bonds (distance) P-C4' energy: -69.181 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -56.703 tors. eta vs tors. theta energy: -112.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1262.573649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.573649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.573649 (E_RNA) where: Base-Base interactions energy: -919.609 where: short stacking energy: -365.164 Base-Backbone interact. energy: -2.191 local terms energy: -340.773692 where: bonds (distance) C4'-P energy: -66.526 bonds (distance) P-C4' energy: -61.781 flat angles C4'-P-C4' energy: -75.297 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: -97.781 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: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1242.194693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.194693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.194693 (E_RNA) where: Base-Base interactions energy: -898.342 where: short stacking energy: -370.132 Base-Backbone interact. energy: -0.641 local terms energy: -343.212008 where: bonds (distance) C4'-P energy: -64.897 bonds (distance) P-C4' energy: -58.315 flat angles C4'-P-C4' energy: -74.995 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -101.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1110.940677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.940677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.940677 (E_RNA) where: Base-Base interactions energy: -798.362 where: short stacking energy: -320.432 Base-Backbone interact. energy: 5.437 local terms energy: -318.015730 where: bonds (distance) C4'-P energy: -59.123 bonds (distance) P-C4' energy: -61.605 flat angles C4'-P-C4' energy: -76.764 flat angles P-C4'-P energy: -40.625 tors. eta vs tors. theta energy: -79.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1067.588291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.588291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.588291 (E_RNA) where: Base-Base interactions energy: -725.491 where: short stacking energy: -300.769 Base-Backbone interact. energy: 3.135 local terms energy: -345.231550 where: bonds (distance) C4'-P energy: -69.744 bonds (distance) P-C4' energy: -66.852 flat angles C4'-P-C4' energy: -80.609 flat angles P-C4'-P energy: -45.876 tors. eta vs tors. theta energy: -82.150 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: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -980.438219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.438219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.438219 (E_RNA) where: Base-Base interactions energy: -677.085 where: short stacking energy: -301.206 Base-Backbone interact. energy: -1.069 local terms energy: -302.283692 where: bonds (distance) C4'-P energy: -52.970 bonds (distance) P-C4' energy: -72.850 flat angles C4'-P-C4' energy: -65.653 flat angles P-C4'-P energy: -33.879 tors. eta vs tors. theta energy: -76.931 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: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -922.780259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.780259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.780259 (E_RNA) where: Base-Base interactions energy: -648.726 where: short stacking energy: -266.106 Base-Backbone interact. energy: -1.262 local terms energy: -272.792918 where: bonds (distance) C4'-P energy: -34.970 bonds (distance) P-C4' energy: -63.340 flat angles C4'-P-C4' energy: -70.632 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -59.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -861.239510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.239510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.239510 (E_RNA) where: Base-Base interactions energy: -569.250 where: short stacking energy: -252.286 Base-Backbone interact. energy: 2.725 local terms energy: -294.713978 where: bonds (distance) C4'-P energy: -59.193 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -69.475 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -63.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -576.263348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.263348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.263348 (E_RNA) where: Base-Base interactions energy: -342.392 where: short stacking energy: -198.954 Base-Backbone interact. energy: -1.673 local terms energy: -232.198386 where: bonds (distance) C4'-P energy: -61.359 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -44.193 flat angles P-C4'-P energy: -30.007 tors. eta vs tors. theta energy: -34.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -499.276597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.276597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.276597 (E_RNA) where: Base-Base interactions energy: -298.062 where: short stacking energy: -146.929 Base-Backbone interact. energy: -0.423 local terms energy: -200.790698 where: bonds (distance) C4'-P energy: -43.433 bonds (distance) P-C4' energy: -65.397 flat angles C4'-P-C4' energy: -53.755 flat angles P-C4'-P energy: -13.653 tors. eta vs tors. theta energy: -24.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1308.138807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.138807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.138807 (E_RNA) where: Base-Base interactions energy: -934.967 where: short stacking energy: -395.265 Base-Backbone interact. energy: -0.172 local terms energy: -372.999539 where: bonds (distance) C4'-P energy: -64.482 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -73.581 flat angles P-C4'-P energy: -56.730 tors. eta vs tors. theta energy: -111.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1275.413154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.413154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.413154 (E_RNA) where: Base-Base interactions energy: -914.088 where: short stacking energy: -363.845 Base-Backbone interact. energy: 0.140 local terms energy: -361.465116 where: bonds (distance) C4'-P energy: -69.379 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -74.436 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -100.609 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: 9 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1252.882832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.882832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.882832 (E_RNA) where: Base-Base interactions energy: -875.747 where: short stacking energy: -359.634 Base-Backbone interact. energy: 0.835 local terms energy: -377.970098 where: bonds (distance) C4'-P energy: -71.941 bonds (distance) P-C4' energy: -68.869 flat angles C4'-P-C4' energy: -83.660 flat angles P-C4'-P energy: -47.224 tors. eta vs tors. theta energy: -106.276 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: 6 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1108.550195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.550195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.550195 (E_RNA) where: Base-Base interactions energy: -772.063 where: short stacking energy: -324.681 Base-Backbone interact. energy: 1.239 local terms energy: -337.725498 where: bonds (distance) C4'-P energy: -54.210 bonds (distance) P-C4' energy: -67.564 flat angles C4'-P-C4' energy: -81.720 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -84.373 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: 8 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1102.753558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.753558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.753558 (E_RNA) where: Base-Base interactions energy: -770.509 where: short stacking energy: -327.955 Base-Backbone interact. energy: -0.973 local terms energy: -331.272199 where: bonds (distance) C4'-P energy: -54.693 bonds (distance) P-C4' energy: -77.206 flat angles C4'-P-C4' energy: -72.532 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: -81.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -935.730306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.730306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.730306 (E_RNA) where: Base-Base interactions energy: -650.112 where: short stacking energy: -274.707 Base-Backbone interact. energy: 2.181 local terms energy: -287.799931 where: bonds (distance) C4'-P energy: -55.168 bonds (distance) P-C4' energy: -68.563 flat angles C4'-P-C4' energy: -61.483 flat angles P-C4'-P energy: -40.890 tors. eta vs tors. theta energy: -61.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -934.619870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.619870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.619870 (E_RNA) where: Base-Base interactions energy: -651.581 where: short stacking energy: -270.200 Base-Backbone interact. energy: -1.771 local terms energy: -281.267787 where: bonds (distance) C4'-P energy: -52.054 bonds (distance) P-C4' energy: -61.895 flat angles C4'-P-C4' energy: -62.772 flat angles P-C4'-P energy: -29.778 tors. eta vs tors. theta energy: -74.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -824.803813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.803813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.803813 (E_RNA) where: Base-Base interactions energy: -547.668 where: short stacking energy: -241.865 Base-Backbone interact. energy: -1.131 local terms energy: -276.004611 where: bonds (distance) C4'-P energy: -50.068 bonds (distance) P-C4' energy: -61.091 flat angles C4'-P-C4' energy: -66.569 flat angles P-C4'-P energy: -40.229 tors. eta vs tors. theta energy: -58.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -538.186896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.186896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.186896 (E_RNA) where: Base-Base interactions energy: -314.159 where: short stacking energy: -177.911 Base-Backbone interact. energy: -1.339 local terms energy: -222.688993 where: bonds (distance) C4'-P energy: -44.323 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -55.137 flat angles P-C4'-P energy: -41.926 tors. eta vs tors. theta energy: -21.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -545.761366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.761366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.761366 (E_RNA) where: Base-Base interactions energy: -302.854 where: short stacking energy: -161.526 Base-Backbone interact. energy: -1.258 local terms energy: -241.648868 where: bonds (distance) C4'-P energy: -48.143 bonds (distance) P-C4' energy: -53.071 flat angles C4'-P-C4' energy: -70.871 flat angles P-C4'-P energy: -35.565 tors. eta vs tors. theta energy: -33.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1317.483165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.483165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.483165 (E_RNA) where: Base-Base interactions energy: -955.597 where: short stacking energy: -389.346 Base-Backbone interact. energy: -1.229 local terms energy: -360.657080 where: bonds (distance) C4'-P energy: -63.048 bonds (distance) P-C4' energy: -69.148 flat angles C4'-P-C4' energy: -75.101 flat angles P-C4'-P energy: -44.268 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: 2, replica: 7 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1284.904913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.904913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.904913 (E_RNA) where: Base-Base interactions energy: -918.879 where: short stacking energy: -381.700 Base-Backbone interact. energy: 0.273 local terms energy: -366.299356 where: bonds (distance) C4'-P energy: -59.024 bonds (distance) P-C4' energy: -78.435 flat angles C4'-P-C4' energy: -75.790 flat angles P-C4'-P energy: -57.755 tors. eta vs tors. theta energy: -95.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1248.303722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.303722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.303722 (E_RNA) where: Base-Base interactions energy: -885.957 where: short stacking energy: -376.480 Base-Backbone interact. energy: 0.402 local terms energy: -362.748906 where: bonds (distance) C4'-P energy: -62.162 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -80.330 flat angles P-C4'-P energy: -48.584 tors. eta vs tors. theta energy: -107.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1128.417567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.417567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.417567 (E_RNA) where: Base-Base interactions energy: -779.449 where: short stacking energy: -334.303 Base-Backbone interact. energy: -0.763 local terms energy: -348.205917 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -61.962 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -56.708 tors. eta vs tors. theta energy: -91.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1054.895476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.895476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.895476 (E_RNA) where: Base-Base interactions energy: -739.805 where: short stacking energy: -318.599 Base-Backbone interact. energy: -1.416 local terms energy: -313.674683 where: bonds (distance) C4'-P energy: -46.354 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -78.115 flat angles P-C4'-P energy: -41.925 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: 6, replica: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -990.628994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.628994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.628994 (E_RNA) where: Base-Base interactions energy: -697.111 where: short stacking energy: -284.455 Base-Backbone interact. energy: -1.084 local terms energy: -292.434137 where: bonds (distance) C4'-P energy: -65.856 bonds (distance) P-C4' energy: -59.150 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -27.304 tors. eta vs tors. theta energy: -65.845 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: 197 Temperature: 1.200000 Total energy: -909.738989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.738989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.738989 (E_RNA) where: Base-Base interactions energy: -609.302 where: short stacking energy: -274.617 Base-Backbone interact. energy: -0.482 local terms energy: -299.955174 where: bonds (distance) C4'-P energy: -58.250 bonds (distance) P-C4' energy: -63.982 flat angles C4'-P-C4' energy: -64.618 flat angles P-C4'-P energy: -44.548 tors. eta vs tors. theta energy: -68.558 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: 10 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -867.235264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.235264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.235264 (E_RNA) where: Base-Base interactions energy: -602.785 where: short stacking energy: -252.612 Base-Backbone interact. energy: 3.483 local terms energy: -267.934166 where: bonds (distance) C4'-P energy: -61.031 bonds (distance) P-C4' energy: -56.144 flat angles C4'-P-C4' energy: -56.011 flat angles P-C4'-P energy: -32.573 tors. eta vs tors. theta energy: -62.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -570.098973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.098973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.098973 (E_RNA) where: Base-Base interactions energy: -345.449 where: short stacking energy: -174.228 Base-Backbone interact. energy: -0.755 local terms energy: -223.894031 where: bonds (distance) C4'-P energy: -49.961 bonds (distance) P-C4' energy: -55.974 flat angles C4'-P-C4' energy: -53.910 flat angles P-C4'-P energy: -35.376 tors. eta vs tors. theta energy: -28.673 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: 2 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -459.559362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.559362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.559362 (E_RNA) where: Base-Base interactions energy: -252.261 where: short stacking energy: -110.636 Base-Backbone interact. energy: -1.259 local terms energy: -206.038745 where: bonds (distance) C4'-P energy: -54.995 bonds (distance) P-C4' energy: -45.044 flat angles C4'-P-C4' energy: -55.855 flat angles P-C4'-P energy: -35.448 tors. eta vs tors. theta energy: -14.697 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: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1293.892464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.892464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.892464 (E_RNA) where: Base-Base interactions energy: -933.070 where: short stacking energy: -374.141 Base-Backbone interact. energy: -1.118 local terms energy: -359.703875 where: bonds (distance) C4'-P energy: -67.373 bonds (distance) P-C4' energy: -65.478 flat angles C4'-P-C4' energy: -76.718 flat angles P-C4'-P energy: -53.473 tors. eta vs tors. theta energy: -96.662 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: 198 Temperature: 0.950000 Total energy: -1267.233422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.233422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.233422 (E_RNA) where: Base-Base interactions energy: -897.486 where: short stacking energy: -376.545 Base-Backbone interact. energy: -1.016 local terms energy: -368.731859 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -68.142 flat angles C4'-P-C4' energy: -74.283 flat angles P-C4'-P energy: -52.627 tors. eta vs tors. theta energy: -103.626 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: 9 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1221.155520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.155520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.155520 (E_RNA) where: Base-Base interactions energy: -872.349 where: short stacking energy: -348.587 Base-Backbone interact. energy: -3.105 local terms energy: -345.701408 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -64.901 flat angles P-C4'-P energy: -55.100 tors. eta vs tors. theta energy: -99.660 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: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1106.018588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.018588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.018588 (E_RNA) where: Base-Base interactions energy: -789.296 where: short stacking energy: -327.654 Base-Backbone interact. energy: -0.566 local terms energy: -316.156496 where: bonds (distance) C4'-P energy: -58.725 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -59.906 flat angles P-C4'-P energy: -50.874 tors. eta vs tors. theta energy: -86.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1049.672233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.672233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.672233 (E_RNA) where: Base-Base interactions energy: -744.761 where: short stacking energy: -294.648 Base-Backbone interact. energy: 2.499 local terms energy: -307.410480 where: bonds (distance) C4'-P energy: -50.801 bonds (distance) P-C4' energy: -69.455 flat angles C4'-P-C4' energy: -68.759 flat angles P-C4'-P energy: -40.332 tors. eta vs tors. theta energy: -78.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -985.127944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.127944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.127944 (E_RNA) where: Base-Base interactions energy: -668.989 where: short stacking energy: -280.540 Base-Backbone interact. energy: 0.539 local terms energy: -316.678699 where: bonds (distance) C4'-P energy: -64.416 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -60.976 flat angles P-C4'-P energy: -47.794 tors. eta vs tors. theta energy: -74.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -960.442741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.442741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.442741 (E_RNA) where: Base-Base interactions energy: -640.648 where: short stacking energy: -272.915 Base-Backbone interact. energy: -1.367 local terms energy: -318.427046 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -53.622 flat angles C4'-P-C4' energy: -77.005 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -82.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -873.967089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.967089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.967089 (E_RNA) where: Base-Base interactions energy: -608.094 where: short stacking energy: -271.061 Base-Backbone interact. energy: -1.340 local terms energy: -264.533433 where: bonds (distance) C4'-P energy: -47.378 bonds (distance) P-C4' energy: -58.329 flat angles C4'-P-C4' energy: -68.623 flat angles P-C4'-P energy: -38.735 tors. eta vs tors. theta energy: -51.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -629.731432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.731432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.731432 (E_RNA) where: Base-Base interactions energy: -403.318 where: short stacking energy: -201.707 Base-Backbone interact. energy: -0.894 local terms energy: -225.519823 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -47.465 flat angles C4'-P-C4' energy: -52.875 flat angles P-C4'-P energy: -34.190 tors. eta vs tors. theta energy: -34.426 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: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -421.809765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.809765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.809765 (E_RNA) where: Base-Base interactions energy: -217.375 where: short stacking energy: -139.799 Base-Backbone interact. energy: -0.311 local terms energy: -204.123536 where: bonds (distance) C4'-P energy: -54.391 bonds (distance) P-C4' energy: -57.627 flat angles C4'-P-C4' energy: -56.714 flat angles P-C4'-P energy: -35.667 tors. eta vs tors. theta energy: 0.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1292.643144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.643144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.643144 (E_RNA) where: Base-Base interactions energy: -939.035 where: short stacking energy: -371.291 Base-Backbone interact. energy: -1.972 local terms energy: -351.636809 where: bonds (distance) C4'-P energy: -63.390 bonds (distance) P-C4' energy: -74.285 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -89.050 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: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1291.752602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.752602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.752602 (E_RNA) where: Base-Base interactions energy: -905.483 where: short stacking energy: -378.763 Base-Backbone interact. energy: -0.136 local terms energy: -386.133485 where: bonds (distance) C4'-P energy: -66.013 bonds (distance) P-C4' energy: -62.912 flat angles C4'-P-C4' energy: -79.957 flat angles P-C4'-P energy: -66.738 tors. eta vs tors. theta energy: -110.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1218.509541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.509541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.509541 (E_RNA) where: Base-Base interactions energy: -859.635 where: short stacking energy: -360.621 Base-Backbone interact. energy: -0.560 local terms energy: -358.314721 where: bonds (distance) C4'-P energy: -61.668 bonds (distance) P-C4' energy: -69.146 flat angles C4'-P-C4' energy: -79.309 flat angles P-C4'-P energy: -46.448 tors. eta vs tors. theta energy: -101.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1115.871508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.871508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.871508 (E_RNA) where: Base-Base interactions energy: -785.568 where: short stacking energy: -321.679 Base-Backbone interact. energy: -2.396 local terms energy: -327.906779 where: bonds (distance) C4'-P energy: -53.729 bonds (distance) P-C4' energy: -70.491 flat angles C4'-P-C4' energy: -70.130 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -88.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1071.378606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.378606 (E_RNA) where: Base-Base interactions energy: -763.290 where: short stacking energy: -312.133 Base-Backbone interact. energy: 1.278 local terms energy: -309.366612 where: bonds (distance) C4'-P energy: -66.816 bonds (distance) P-C4' energy: -60.561 flat angles C4'-P-C4' energy: -64.557 flat angles P-C4'-P energy: -40.303 tors. eta vs tors. theta energy: -77.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -968.059061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.059061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.059061 (E_RNA) where: Base-Base interactions energy: -671.761 where: short stacking energy: -303.951 Base-Backbone interact. energy: 0.230 local terms energy: -296.528445 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -60.915 flat angles C4'-P-C4' energy: -65.304 flat angles P-C4'-P energy: -36.646 tors. eta vs tors. theta energy: -67.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -982.649129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.649129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.649129 (E_RNA) where: Base-Base interactions energy: -684.483 where: short stacking energy: -283.717 Base-Backbone interact. energy: -0.207 local terms energy: -297.959451 where: bonds (distance) C4'-P energy: -54.398 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -68.143 flat angles P-C4'-P energy: -42.213 tors. eta vs tors. theta energy: -69.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -843.370425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.370425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.370425 (E_RNA) where: Base-Base interactions energy: -596.366 where: short stacking energy: -251.801 Base-Backbone interact. energy: -1.539 local terms energy: -245.465684 where: bonds (distance) C4'-P energy: -49.475 bonds (distance) P-C4' energy: -37.468 flat angles C4'-P-C4' energy: -72.283 flat angles P-C4'-P energy: -39.911 tors. eta vs tors. theta energy: -46.329 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: 9, replica: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -577.011461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.011461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.011461 (E_RNA) where: Base-Base interactions energy: -332.130 where: short stacking energy: -180.512 Base-Backbone interact. energy: -1.574 local terms energy: -243.307292 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -55.864 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -35.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -407.730162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.730162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.730162 (E_RNA) where: Base-Base interactions energy: -214.471 where: short stacking energy: -115.102 Base-Backbone interact. energy: 2.401 local terms energy: -195.659947 where: bonds (distance) C4'-P energy: -61.962 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -41.228 flat angles P-C4'-P energy: -12.750 tors. eta vs tors. theta energy: -13.581 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: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1291.734310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.734310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.734310 (E_RNA) where: Base-Base interactions energy: -927.157 where: short stacking energy: -374.399 Base-Backbone interact. energy: -0.990 local terms energy: -363.587063 where: bonds (distance) C4'-P energy: -62.166 bonds (distance) P-C4' energy: -69.411 flat angles C4'-P-C4' energy: -75.480 flat angles P-C4'-P energy: -54.328 tors. eta vs tors. theta energy: -102.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1289.668577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.668577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.668577 (E_RNA) where: Base-Base interactions energy: -913.352 where: short stacking energy: -392.939 Base-Backbone interact. energy: -0.909 local terms energy: -375.408270 where: bonds (distance) C4'-P energy: -64.129 bonds (distance) P-C4' energy: -72.611 flat angles C4'-P-C4' energy: -75.462 flat angles P-C4'-P energy: -53.094 tors. eta vs tors. theta energy: -110.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1230.137370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.137370 (E_RNA) where: Base-Base interactions energy: -877.694 where: short stacking energy: -356.309 Base-Backbone interact. energy: 0.098 local terms energy: -352.540735 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -77.818 flat angles P-C4'-P energy: -48.787 tors. eta vs tors. theta energy: -101.554 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: 4, replica: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1104.343232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.343232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.343232 (E_RNA) where: Base-Base interactions energy: -755.457 where: short stacking energy: -312.466 Base-Backbone interact. energy: -2.200 local terms energy: -346.686550 where: bonds (distance) C4'-P energy: -68.723 bonds (distance) P-C4' energy: -72.513 flat angles C4'-P-C4' energy: -69.699 flat angles P-C4'-P energy: -51.252 tors. eta vs tors. theta energy: -84.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1065.239964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.239964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.239964 (E_RNA) where: Base-Base interactions energy: -759.061 where: short stacking energy: -294.739 Base-Backbone interact. energy: 4.199 local terms energy: -310.377502 where: bonds (distance) C4'-P energy: -68.822 bonds (distance) P-C4' energy: -55.456 flat angles C4'-P-C4' energy: -69.684 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -72.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -966.171765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.171765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.171765 (E_RNA) where: Base-Base interactions energy: -666.524 where: short stacking energy: -303.963 Base-Backbone interact. energy: 1.290 local terms energy: -300.937828 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -60.485 flat angles C4'-P-C4' energy: -70.073 flat angles P-C4'-P energy: -42.987 tors. eta vs tors. theta energy: -65.039 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: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -970.744860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.744860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.744860 (E_RNA) where: Base-Base interactions energy: -672.265 where: short stacking energy: -277.326 Base-Backbone interact. energy: -0.434 local terms energy: -298.046458 where: bonds (distance) C4'-P energy: -61.175 bonds (distance) P-C4' energy: -54.220 flat angles C4'-P-C4' energy: -67.286 flat angles P-C4'-P energy: -47.521 tors. eta vs tors. theta energy: -67.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -793.309441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.309441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.309441 (E_RNA) where: Base-Base interactions energy: -539.658 where: short stacking energy: -222.505 Base-Backbone interact. energy: 5.429 local terms energy: -259.080274 where: bonds (distance) C4'-P energy: -50.458 bonds (distance) P-C4' energy: -49.589 flat angles C4'-P-C4' energy: -61.178 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -45.716 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: 1 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -582.463055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.463055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.463055 (E_RNA) where: Base-Base interactions energy: -363.129 where: short stacking energy: -179.057 Base-Backbone interact. energy: 1.697 local terms energy: -221.031261 where: bonds (distance) C4'-P energy: -48.131 bonds (distance) P-C4' energy: -60.803 flat angles C4'-P-C4' energy: -55.610 flat angles P-C4'-P energy: -29.911 tors. eta vs tors. theta energy: -26.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -379.046095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.046095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.046095 (E_RNA) where: Base-Base interactions energy: -175.399 where: short stacking energy: -114.886 Base-Backbone interact. energy: 0.921 local terms energy: -204.567909 where: bonds (distance) C4'-P energy: -48.827 bonds (distance) P-C4' energy: -52.667 flat angles C4'-P-C4' energy: -57.876 flat angles P-C4'-P energy: -36.715 tors. eta vs tors. theta energy: -8.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1279.428257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.428257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.428257 (E_RNA) where: Base-Base interactions energy: -905.865 where: short stacking energy: -359.690 Base-Backbone interact. energy: 1.810 local terms energy: -375.373116 where: bonds (distance) C4'-P energy: -70.764 bonds (distance) P-C4' energy: -74.338 flat angles C4'-P-C4' energy: -82.673 flat angles P-C4'-P energy: -57.548 tors. eta vs tors. theta energy: -90.050 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: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1318.644093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.644093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.644093 (E_RNA) where: Base-Base interactions energy: -948.552 where: short stacking energy: -374.389 Base-Backbone interact. energy: -0.609 local terms energy: -369.483495 where: bonds (distance) C4'-P energy: -60.561 bonds (distance) P-C4' energy: -69.506 flat angles C4'-P-C4' energy: -77.205 flat angles P-C4'-P energy: -50.925 tors. eta vs tors. theta energy: -111.287 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: 201 Temperature: 1.000000 Total energy: -1217.745661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.745661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.745661 (E_RNA) where: Base-Base interactions energy: -867.071 where: short stacking energy: -370.297 Base-Backbone interact. energy: -0.287 local terms energy: -350.387939 where: bonds (distance) C4'-P energy: -68.663 bonds (distance) P-C4' energy: -61.649 flat angles C4'-P-C4' energy: -74.680 flat angles P-C4'-P energy: -40.482 tors. eta vs tors. theta energy: -104.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1098.364217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.364217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.364217 (E_RNA) where: Base-Base interactions energy: -766.040 where: short stacking energy: -313.868 Base-Backbone interact. energy: 1.203 local terms energy: -333.526700 where: bonds (distance) C4'-P energy: -60.150 bonds (distance) P-C4' energy: -66.719 flat angles C4'-P-C4' energy: -66.977 flat angles P-C4'-P energy: -52.756 tors. eta vs tors. theta energy: -86.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1070.671545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.671545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.671545 (E_RNA) where: Base-Base interactions energy: -745.587 where: short stacking energy: -303.617 Base-Backbone interact. energy: 0.008 local terms energy: -325.091828 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -68.019 flat angles P-C4'-P energy: -42.840 tors. eta vs tors. theta energy: -84.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -944.126164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.126164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.126164 (E_RNA) where: Base-Base interactions energy: -649.031 where: short stacking energy: -285.458 Base-Backbone interact. energy: -1.296 local terms energy: -293.799807 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -66.994 flat angles P-C4'-P energy: -32.961 tors. eta vs tors. theta energy: -76.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -935.796032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.796032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.796032 (E_RNA) where: Base-Base interactions energy: -644.811 where: short stacking energy: -262.353 Base-Backbone interact. energy: -0.760 local terms energy: -290.225168 where: bonds (distance) C4'-P energy: -54.083 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -63.967 flat angles P-C4'-P energy: -44.601 tors. eta vs tors. theta energy: -71.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -778.412888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.412888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.412888 (E_RNA) where: Base-Base interactions energy: -521.166 where: short stacking energy: -214.976 Base-Backbone interact. energy: -1.270 local terms energy: -255.977521 where: bonds (distance) C4'-P energy: -49.321 bonds (distance) P-C4' energy: -65.907 flat angles C4'-P-C4' energy: -68.429 flat angles P-C4'-P energy: -33.090 tors. eta vs tors. theta energy: -39.230 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: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -613.871939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.871939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.871939 (E_RNA) where: Base-Base interactions energy: -368.662 where: short stacking energy: -203.076 Base-Backbone interact. energy: -1.036 local terms energy: -244.174115 where: bonds (distance) C4'-P energy: -62.730 bonds (distance) P-C4' energy: -61.665 flat angles C4'-P-C4' energy: -53.212 flat angles P-C4'-P energy: -30.921 tors. eta vs tors. theta energy: -35.646 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: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -452.317510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.317510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.317510 (E_RNA) where: Base-Base interactions energy: -238.819 where: short stacking energy: -151.907 Base-Backbone interact. energy: -1.554 local terms energy: -211.945409 where: bonds (distance) C4'-P energy: -46.714 bonds (distance) P-C4' energy: -59.937 flat angles C4'-P-C4' energy: -50.247 flat angles P-C4'-P energy: -36.049 tors. eta vs tors. theta energy: -18.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1315.274206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.274206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.274206 (E_RNA) where: Base-Base interactions energy: -919.272 where: short stacking energy: -401.318 Base-Backbone interact. energy: -0.768 local terms energy: -395.234350 where: bonds (distance) C4'-P energy: -65.465 bonds (distance) P-C4' energy: -73.927 flat angles C4'-P-C4' energy: -86.310 flat angles P-C4'-P energy: -58.076 tors. eta vs tors. theta energy: -111.456 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: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1254.803005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.803005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.803005 (E_RNA) where: Base-Base interactions energy: -896.988 where: short stacking energy: -366.474 Base-Backbone interact. energy: -0.817 local terms energy: -356.998020 where: bonds (distance) C4'-P energy: -72.735 bonds (distance) P-C4' energy: -58.322 flat angles C4'-P-C4' energy: -74.639 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -95.339 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: 202 Temperature: 1.000000 Total energy: -1209.770003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.770003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.770003 (E_RNA) where: Base-Base interactions energy: -857.736 where: short stacking energy: -352.238 Base-Backbone interact. energy: -0.138 local terms energy: -351.896751 where: bonds (distance) C4'-P energy: -54.723 bonds (distance) P-C4' energy: -64.099 flat angles C4'-P-C4' energy: -76.104 flat angles P-C4'-P energy: -57.096 tors. eta vs tors. theta energy: -99.876 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: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1146.774263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.774263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.774263 (E_RNA) where: Base-Base interactions energy: -809.310 where: short stacking energy: -347.242 Base-Backbone interact. energy: 5.988 local terms energy: -343.452084 where: bonds (distance) C4'-P energy: -58.849 bonds (distance) P-C4' energy: -75.999 flat angles C4'-P-C4' energy: -77.909 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -86.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1088.619998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.619998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.619998 (E_RNA) where: Base-Base interactions energy: -769.923 where: short stacking energy: -306.102 Base-Backbone interact. energy: -1.406 local terms energy: -317.290444 where: bonds (distance) C4'-P energy: -65.553 bonds (distance) P-C4' energy: -63.389 flat angles C4'-P-C4' energy: -72.071 flat angles P-C4'-P energy: -37.527 tors. eta vs tors. theta energy: -78.751 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: 202 Temperature: 1.150000 Total energy: -985.623653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.623653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.623653 (E_RNA) where: Base-Base interactions energy: -684.825 where: short stacking energy: -320.644 Base-Backbone interact. energy: -0.511 local terms energy: -300.287386 where: bonds (distance) C4'-P energy: -52.801 bonds (distance) P-C4' energy: -58.032 flat angles C4'-P-C4' energy: -66.725 flat angles P-C4'-P energy: -41.796 tors. eta vs tors. theta energy: -80.934 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: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -906.532938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.532938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.532938 (E_RNA) where: Base-Base interactions energy: -647.086 where: short stacking energy: -260.267 Base-Backbone interact. energy: -1.094 local terms energy: -258.353604 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -59.887 flat angles C4'-P-C4' energy: -49.163 flat angles P-C4'-P energy: -33.186 tors. eta vs tors. theta energy: -59.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -828.508442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.508442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.508442 (E_RNA) where: Base-Base interactions energy: -547.541 where: short stacking energy: -241.529 Base-Backbone interact. energy: -1.588 local terms energy: -279.379282 where: bonds (distance) C4'-P energy: -62.160 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -66.605 flat angles P-C4'-P energy: -46.398 tors. eta vs tors. theta energy: -42.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -611.984152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.984152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.984152 (E_RNA) where: Base-Base interactions energy: -356.170 where: short stacking energy: -202.857 Base-Backbone interact. energy: -1.300 local terms energy: -254.514245 where: bonds (distance) C4'-P energy: -52.727 bonds (distance) P-C4' energy: -64.747 flat angles C4'-P-C4' energy: -63.732 flat angles P-C4'-P energy: -37.791 tors. eta vs tors. theta energy: -35.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -497.034397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.034397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.034397 (E_RNA) where: Base-Base interactions energy: -273.429 where: short stacking energy: -157.036 Base-Backbone interact. energy: -2.734 local terms energy: -220.870697 where: bonds (distance) C4'-P energy: -59.477 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -65.480 flat angles P-C4'-P energy: -27.583 tors. eta vs tors. theta energy: -9.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1328.071477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.071477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.071477 (E_RNA) where: Base-Base interactions energy: -941.052 where: short stacking energy: -398.009 Base-Backbone interact. energy: 0.565 local terms energy: -387.584992 where: bonds (distance) C4'-P energy: -64.168 bonds (distance) P-C4' energy: -75.245 flat angles C4'-P-C4' energy: -85.258 flat angles P-C4'-P energy: -56.678 tors. eta vs tors. theta energy: -106.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1275.643624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.643624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.643624 (E_RNA) where: Base-Base interactions energy: -910.537 where: short stacking energy: -368.107 Base-Backbone interact. energy: -0.759 local terms energy: -364.347883 where: bonds (distance) C4'-P energy: -67.197 bonds (distance) P-C4' energy: -65.130 flat angles C4'-P-C4' energy: -76.312 flat angles P-C4'-P energy: -60.301 tors. eta vs tors. theta energy: -95.407 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: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1220.240292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.240292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.240292 (E_RNA) where: Base-Base interactions energy: -860.413 where: short stacking energy: -360.866 Base-Backbone interact. energy: -1.043 local terms energy: -358.784170 where: bonds (distance) C4'-P energy: -62.699 bonds (distance) P-C4' energy: -65.728 flat angles C4'-P-C4' energy: -66.142 flat angles P-C4'-P energy: -64.925 tors. eta vs tors. theta energy: -99.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1122.955772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.955772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.955772 (E_RNA) where: Base-Base interactions energy: -790.129 where: short stacking energy: -325.864 Base-Backbone interact. energy: -2.608 local terms energy: -330.218749 where: bonds (distance) C4'-P energy: -63.672 bonds (distance) P-C4' energy: -49.360 flat angles C4'-P-C4' energy: -75.995 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -89.690 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: 203 Temperature: 1.100000 Total energy: -1087.697035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.697035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.697035 (E_RNA) where: Base-Base interactions energy: -781.689 where: short stacking energy: -312.418 Base-Backbone interact. energy: 1.027 local terms energy: -307.035180 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -69.304 flat angles C4'-P-C4' energy: -65.166 flat angles P-C4'-P energy: -39.042 tors. eta vs tors. theta energy: -80.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -932.643046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.643046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.643046 (E_RNA) where: Base-Base interactions energy: -632.757 where: short stacking energy: -264.579 Base-Backbone interact. energy: -0.455 local terms energy: -299.431174 where: bonds (distance) C4'-P energy: -60.545 bonds (distance) P-C4' energy: -64.203 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -55.068 tors. eta vs tors. theta energy: -51.593 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: 203 Temperature: 1.200000 Total energy: -921.918408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.918408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.918408 (E_RNA) where: Base-Base interactions energy: -628.165 where: short stacking energy: -276.816 Base-Backbone interact. energy: -0.623 local terms energy: -293.130509 where: bonds (distance) C4'-P energy: -53.036 bonds (distance) P-C4' energy: -52.771 flat angles C4'-P-C4' energy: -69.682 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -71.442 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: 10 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -851.487628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.487628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.487628 (E_RNA) where: Base-Base interactions energy: -564.401 where: short stacking energy: -255.372 Base-Backbone interact. energy: -1.227 local terms energy: -285.860001 where: bonds (distance) C4'-P energy: -60.041 bonds (distance) P-C4' energy: -58.686 flat angles C4'-P-C4' energy: -61.782 flat angles P-C4'-P energy: -40.595 tors. eta vs tors. theta energy: -64.757 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: 1 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -601.955689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.955689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.955689 (E_RNA) where: Base-Base interactions energy: -366.317 where: short stacking energy: -190.083 Base-Backbone interact. energy: -0.257 local terms energy: -235.381654 where: bonds (distance) C4'-P energy: -42.329 bonds (distance) P-C4' energy: -62.684 flat angles C4'-P-C4' energy: -53.162 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -33.644 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: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -458.151578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.151578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.151578 (E_RNA) where: Base-Base interactions energy: -250.515 where: short stacking energy: -127.156 Base-Backbone interact. energy: 0.137 local terms energy: -207.773760 where: bonds (distance) C4'-P energy: -53.308 bonds (distance) P-C4' energy: -70.295 flat angles C4'-P-C4' energy: -48.870 flat angles P-C4'-P energy: -42.078 tors. eta vs tors. theta energy: 6.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1321.843354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.843354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.843354 (E_RNA) where: Base-Base interactions energy: -928.600 where: short stacking energy: -399.189 Base-Backbone interact. energy: -0.828 local terms energy: -392.415675 where: bonds (distance) C4'-P energy: -68.135 bonds (distance) P-C4' energy: -79.443 flat angles C4'-P-C4' energy: -82.627 flat angles P-C4'-P energy: -51.405 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: 2, replica: 7 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1260.358337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.358337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.358337 (E_RNA) where: Base-Base interactions energy: -907.156 where: short stacking energy: -367.497 Base-Backbone interact. energy: 1.010 local terms energy: -354.212039 where: bonds (distance) C4'-P energy: -68.501 bonds (distance) P-C4' energy: -77.262 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: -93.427 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: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1231.067307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.067307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.067307 (E_RNA) where: Base-Base interactions energy: -897.780 where: short stacking energy: -350.097 Base-Backbone interact. energy: -0.763 local terms energy: -332.524244 where: bonds (distance) C4'-P energy: -58.385 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -78.865 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -97.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1123.707532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.707532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.707532 (E_RNA) where: Base-Base interactions energy: -783.634 where: short stacking energy: -316.181 Base-Backbone interact. energy: 0.166 local terms energy: -340.239125 where: bonds (distance) C4'-P energy: -70.405 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -77.485 flat angles P-C4'-P energy: -47.446 tors. eta vs tors. theta energy: -84.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1077.846562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.846562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.846562 (E_RNA) where: Base-Base interactions energy: -769.132 where: short stacking energy: -326.436 Base-Backbone interact. energy: 0.926 local terms energy: -309.640441 where: bonds (distance) C4'-P energy: -61.709 bonds (distance) P-C4' energy: -59.886 flat angles C4'-P-C4' energy: -63.982 flat angles P-C4'-P energy: -41.259 tors. eta vs tors. theta energy: -82.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -916.283540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.283540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.283540 (E_RNA) where: Base-Base interactions energy: -624.083 where: short stacking energy: -282.101 Base-Backbone interact. energy: 1.326 local terms energy: -293.526202 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -66.573 flat angles C4'-P-C4' energy: -69.851 flat angles P-C4'-P energy: -44.581 tors. eta vs tors. theta energy: -57.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -912.330918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.330918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.330918 (E_RNA) where: Base-Base interactions energy: -624.486 where: short stacking energy: -277.754 Base-Backbone interact. energy: -0.090 local terms energy: -287.755415 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -55.256 flat angles C4'-P-C4' energy: -76.083 flat angles P-C4'-P energy: -41.390 tors. eta vs tors. theta energy: -60.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -832.706550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.706550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.706550 (E_RNA) where: Base-Base interactions energy: -572.433 where: short stacking energy: -243.034 Base-Backbone interact. energy: 3.845 local terms energy: -264.118449 where: bonds (distance) C4'-P energy: -54.796 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -60.624 flat angles P-C4'-P energy: -41.578 tors. eta vs tors. theta energy: -46.566 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: 204 Temperature: 1.300000 Total energy: -592.325763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.325763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.325763 (E_RNA) where: Base-Base interactions energy: -358.809 where: short stacking energy: -193.250 Base-Backbone interact. energy: 4.337 local terms energy: -237.854142 where: bonds (distance) C4'-P energy: -64.274 bonds (distance) P-C4' energy: -67.685 flat angles C4'-P-C4' energy: -38.983 flat angles P-C4'-P energy: -37.815 tors. eta vs tors. theta energy: -29.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -485.910465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.910465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.910465 (E_RNA) where: Base-Base interactions energy: -276.024 where: short stacking energy: -129.729 Base-Backbone interact. energy: -1.985 local terms energy: -207.901361 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -59.144 flat angles C4'-P-C4' energy: -56.944 flat angles P-C4'-P energy: -19.852 tors. eta vs tors. theta energy: -11.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1341.813464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.813464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.813464 (E_RNA) where: Base-Base interactions energy: -958.829 where: short stacking energy: -395.596 Base-Backbone interact. energy: 0.719 local terms energy: -383.703403 where: bonds (distance) C4'-P energy: -68.315 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -80.341 flat angles P-C4'-P energy: -47.643 tors. eta vs tors. theta energy: -115.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1267.937842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.937842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.937842 (E_RNA) where: Base-Base interactions energy: -906.249 where: short stacking energy: -377.235 Base-Backbone interact. energy: 0.166 local terms energy: -361.855441 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -65.955 flat angles C4'-P-C4' energy: -81.226 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -97.493 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: 9 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1231.732415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.732415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.732415 (E_RNA) where: Base-Base interactions energy: -876.534 where: short stacking energy: -356.396 Base-Backbone interact. energy: -0.657 local terms energy: -354.541003 where: bonds (distance) C4'-P energy: -61.303 bonds (distance) P-C4' energy: -67.144 flat angles C4'-P-C4' energy: -75.610 flat angles P-C4'-P energy: -49.635 tors. eta vs tors. theta energy: -100.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1126.258634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.258634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.258634 (E_RNA) where: Base-Base interactions energy: -792.220 where: short stacking energy: -343.364 Base-Backbone interact. energy: -1.952 local terms energy: -332.086050 where: bonds (distance) C4'-P energy: -67.794 bonds (distance) P-C4' energy: -59.897 flat angles C4'-P-C4' energy: -79.122 flat angles P-C4'-P energy: -37.749 tors. eta vs tors. theta energy: -87.523 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: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1093.054107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.054107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.054107 (E_RNA) where: Base-Base interactions energy: -795.073 where: short stacking energy: -339.263 Base-Backbone interact. energy: 0.718 local terms energy: -298.699686 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -53.056 flat angles C4'-P-C4' energy: -72.500 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -81.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -966.634450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.634450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.634450 (E_RNA) where: Base-Base interactions energy: -670.749 where: short stacking energy: -302.474 Base-Backbone interact. energy: -0.981 local terms energy: -294.904332 where: bonds (distance) C4'-P energy: -60.606 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -65.425 flat angles P-C4'-P energy: -28.747 tors. eta vs tors. theta energy: -82.806 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: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -908.744830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.744830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.744830 (E_RNA) where: Base-Base interactions energy: -625.949 where: short stacking energy: -281.367 Base-Backbone interact. energy: 0.769 local terms energy: -283.565475 where: bonds (distance) C4'-P energy: -49.220 bonds (distance) P-C4' energy: -63.662 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -36.880 tors. eta vs tors. theta energy: -66.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -847.753263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.753263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.753263 (E_RNA) where: Base-Base interactions energy: -591.762 where: short stacking energy: -258.304 Base-Backbone interact. energy: 0.332 local terms energy: -256.323924 where: bonds (distance) C4'-P energy: -55.481 bonds (distance) P-C4' energy: -58.691 flat angles C4'-P-C4' energy: -53.995 flat angles P-C4'-P energy: -36.141 tors. eta vs tors. theta energy: -52.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -590.564450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.564450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.564450 (E_RNA) where: Base-Base interactions energy: -350.527 where: short stacking energy: -176.424 Base-Backbone interact. energy: -1.681 local terms energy: -238.356738 where: bonds (distance) C4'-P energy: -54.827 bonds (distance) P-C4' energy: -57.560 flat angles C4'-P-C4' energy: -56.605 flat angles P-C4'-P energy: -44.685 tors. eta vs tors. theta energy: -24.679 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: 10, replica: 2 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -460.265167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.265167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.265167 (E_RNA) where: Base-Base interactions energy: -278.068 where: short stacking energy: -137.930 Base-Backbone interact. energy: 1.697 local terms energy: -183.894405 where: bonds (distance) C4'-P energy: -56.845 bonds (distance) P-C4' energy: -51.131 flat angles C4'-P-C4' energy: -44.601 flat angles P-C4'-P energy: -17.250 tors. eta vs tors. theta energy: -14.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1334.270216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.270216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.270216 (E_RNA) where: Base-Base interactions energy: -940.818 where: short stacking energy: -382.834 Base-Backbone interact. energy: 0.838 local terms energy: -394.289956 where: bonds (distance) C4'-P energy: -74.739 bonds (distance) P-C4' energy: -71.982 flat angles C4'-P-C4' energy: -82.140 flat angles P-C4'-P energy: -54.137 tors. eta vs tors. theta energy: -111.292 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: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1266.108045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.108045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.108045 (E_RNA) where: Base-Base interactions energy: -915.376 where: short stacking energy: -387.995 Base-Backbone interact. energy: -1.938 local terms energy: -348.793780 where: bonds (distance) C4'-P energy: -62.810 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -48.990 tors. eta vs tors. theta energy: -99.148 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: 9 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1220.981478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.981478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.981478 (E_RNA) where: Base-Base interactions energy: -864.176 where: short stacking energy: -364.368 Base-Backbone interact. energy: 3.649 local terms energy: -360.454613 where: bonds (distance) C4'-P energy: -61.692 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -82.850 flat angles P-C4'-P energy: -50.856 tors. eta vs tors. theta energy: -101.591 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: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1124.687420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.687420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.687420 (E_RNA) where: Base-Base interactions energy: -788.955 where: short stacking energy: -318.984 Base-Backbone interact. energy: 5.891 local terms energy: -341.623812 where: bonds (distance) C4'-P energy: -69.903 bonds (distance) P-C4' energy: -67.008 flat angles C4'-P-C4' energy: -74.210 flat angles P-C4'-P energy: -50.849 tors. eta vs tors. theta energy: -79.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1120.199201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.199201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.199201 (E_RNA) where: Base-Base interactions energy: -795.743 where: short stacking energy: -317.669 Base-Backbone interact. energy: -1.934 local terms energy: -322.522079 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -55.873 flat angles C4'-P-C4' energy: -80.755 flat angles P-C4'-P energy: -45.959 tors. eta vs tors. theta energy: -83.049 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: 6, replica: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -955.116589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.116589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.116589 (E_RNA) where: Base-Base interactions energy: -635.207 where: short stacking energy: -278.292 Base-Backbone interact. energy: -1.624 local terms energy: -318.286060 where: bonds (distance) C4'-P energy: -63.842 bonds (distance) P-C4' energy: -75.371 flat angles C4'-P-C4' energy: -72.811 flat angles P-C4'-P energy: -39.041 tors. eta vs tors. theta energy: -67.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -914.118431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.118431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.118431 (E_RNA) where: Base-Base interactions energy: -633.046 where: short stacking energy: -284.124 Base-Backbone interact. energy: -0.676 local terms energy: -280.396438 where: bonds (distance) C4'-P energy: -57.456 bonds (distance) P-C4' energy: -42.986 flat angles C4'-P-C4' energy: -68.240 flat angles P-C4'-P energy: -31.710 tors. eta vs tors. theta energy: -80.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -876.375608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.375608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.375608 (E_RNA) where: Base-Base interactions energy: -608.852 where: short stacking energy: -251.583 Base-Backbone interact. energy: -0.430 local terms energy: -267.093330 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -52.422 flat angles C4'-P-C4' energy: -57.026 flat angles P-C4'-P energy: -41.789 tors. eta vs tors. theta energy: -57.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -546.238434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.238434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.238434 (E_RNA) where: Base-Base interactions energy: -303.957 where: short stacking energy: -152.425 Base-Backbone interact. energy: -0.628 local terms energy: -241.653954 where: bonds (distance) C4'-P energy: -64.268 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -64.640 flat angles P-C4'-P energy: -36.657 tors. eta vs tors. theta energy: -18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -488.634845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.634845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.634845 (E_RNA) where: Base-Base interactions energy: -304.969 where: short stacking energy: -138.547 Base-Backbone interact. energy: -1.281 local terms energy: -182.385522 where: bonds (distance) C4'-P energy: -52.730 bonds (distance) P-C4' energy: -44.714 flat angles C4'-P-C4' energy: -46.224 flat angles P-C4'-P energy: -25.958 tors. eta vs tors. theta energy: -12.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1333.244815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.244815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.244815 (E_RNA) where: Base-Base interactions energy: -956.499 where: short stacking energy: -413.424 Base-Backbone interact. energy: -1.095 local terms energy: -375.650428 where: bonds (distance) C4'-P energy: -69.130 bonds (distance) P-C4' energy: -60.134 flat angles C4'-P-C4' energy: -82.302 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -109.850 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: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1264.185330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.185330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.185330 (E_RNA) where: Base-Base interactions energy: -903.568 where: short stacking energy: -370.150 Base-Backbone interact. energy: -4.321 local terms energy: -356.296540 where: bonds (distance) C4'-P energy: -58.425 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -78.853 flat angles P-C4'-P energy: -52.338 tors. eta vs tors. theta energy: -102.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1210.709821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.709821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.709821 (E_RNA) where: Base-Base interactions energy: -864.421 where: short stacking energy: -355.352 Base-Backbone interact. energy: -1.038 local terms energy: -345.250662 where: bonds (distance) C4'-P energy: -64.641 bonds (distance) P-C4' energy: -66.117 flat angles C4'-P-C4' energy: -66.156 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -96.374 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: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1169.665151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.665151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.665151 (E_RNA) where: Base-Base interactions energy: -834.940 where: short stacking energy: -348.528 Base-Backbone interact. energy: -1.574 local terms energy: -333.151086 where: bonds (distance) C4'-P energy: -53.941 bonds (distance) P-C4' energy: -63.461 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -43.504 tors. eta vs tors. theta energy: -97.919 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: 207 Temperature: 1.100000 Total energy: -1109.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.977127 (E_RNA) where: Base-Base interactions energy: -788.655 where: short stacking energy: -310.514 Base-Backbone interact. energy: -1.103 local terms energy: -320.218743 where: bonds (distance) C4'-P energy: -61.335 bonds (distance) P-C4' energy: -56.557 flat angles C4'-P-C4' energy: -74.336 flat angles P-C4'-P energy: -47.417 tors. eta vs tors. theta energy: -80.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -933.794051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.794051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.794051 (E_RNA) where: Base-Base interactions energy: -633.520 where: short stacking energy: -265.161 Base-Backbone interact. energy: 0.597 local terms energy: -300.870772 where: bonds (distance) C4'-P energy: -59.523 bonds (distance) P-C4' energy: -64.270 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -47.731 tors. eta vs tors. theta energy: -68.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -910.526157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.526157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.526157 (E_RNA) where: Base-Base interactions energy: -618.224 where: short stacking energy: -272.320 Base-Backbone interact. energy: -0.308 local terms energy: -291.994397 where: bonds (distance) C4'-P energy: -56.329 bonds (distance) P-C4' energy: -68.164 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -40.438 tors. eta vs tors. theta energy: -63.177 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: 207 Temperature: 1.250000 Total energy: -838.632293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.632293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.632293 (E_RNA) where: Base-Base interactions energy: -563.035 where: short stacking energy: -247.745 Base-Backbone interact. energy: -3.156 local terms energy: -272.441279 where: bonds (distance) C4'-P energy: -51.492 bonds (distance) P-C4' energy: -67.512 flat angles C4'-P-C4' energy: -63.824 flat angles P-C4'-P energy: -36.822 tors. eta vs tors. theta energy: -52.791 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: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -540.737484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.737484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.737484 (E_RNA) where: Base-Base interactions energy: -308.253 where: short stacking energy: -155.004 Base-Backbone interact. energy: 2.142 local terms energy: -234.626489 where: bonds (distance) C4'-P energy: -55.268 bonds (distance) P-C4' energy: -57.477 flat angles C4'-P-C4' energy: -63.146 flat angles P-C4'-P energy: -40.400 tors. eta vs tors. theta energy: -18.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -439.217378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.217378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.217378 (E_RNA) where: Base-Base interactions energy: -253.086 where: short stacking energy: -131.666 Base-Backbone interact. energy: 4.868 local terms energy: -191.000222 where: bonds (distance) C4'-P energy: -56.327 bonds (distance) P-C4' energy: -50.749 flat angles C4'-P-C4' energy: -54.466 flat angles P-C4'-P energy: -22.020 tors. eta vs tors. theta energy: -7.439 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: 208 Temperature: 0.900000 Total energy: -1330.327221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.327221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.327221 (E_RNA) where: Base-Base interactions energy: -941.297 where: short stacking energy: -421.024 Base-Backbone interact. energy: 0.241 local terms energy: -389.270960 where: bonds (distance) C4'-P energy: -66.578 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -81.651 flat angles P-C4'-P energy: -56.101 tors. eta vs tors. theta energy: -114.730 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: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1279.535259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.535259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.535259 (E_RNA) where: Base-Base interactions energy: -907.485 where: short stacking energy: -384.066 Base-Backbone interact. energy: -0.781 local terms energy: -371.268621 where: bonds (distance) C4'-P energy: -60.159 bonds (distance) P-C4' energy: -75.609 flat angles C4'-P-C4' energy: -84.962 flat angles P-C4'-P energy: -53.506 tors. eta vs tors. theta energy: -97.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1190.717362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.717362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.717362 (E_RNA) where: Base-Base interactions energy: -841.541 where: short stacking energy: -338.732 Base-Backbone interact. energy: -1.267 local terms energy: -347.910012 where: bonds (distance) C4'-P energy: -67.098 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -74.325 flat angles P-C4'-P energy: -48.161 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: 4, replica: 8 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1150.584499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.584499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.584499 (E_RNA) where: Base-Base interactions energy: -819.972 where: short stacking energy: -354.861 Base-Backbone interact. energy: -0.946 local terms energy: -329.666996 where: bonds (distance) C4'-P energy: -68.895 bonds (distance) P-C4' energy: -56.052 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -45.366 tors. eta vs tors. theta energy: -92.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1083.945680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.945680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.945680 (E_RNA) where: Base-Base interactions energy: -753.051 where: short stacking energy: -307.042 Base-Backbone interact. energy: -1.638 local terms energy: -329.256766 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -69.903 flat angles C4'-P-C4' energy: -60.522 flat angles P-C4'-P energy: -50.603 tors. eta vs tors. theta energy: -81.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -937.035151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.035151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.035151 (E_RNA) where: Base-Base interactions energy: -642.277 where: short stacking energy: -270.037 Base-Backbone interact. energy: 0.221 local terms energy: -294.979270 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -59.223 flat angles C4'-P-C4' energy: -63.218 flat angles P-C4'-P energy: -41.741 tors. eta vs tors. theta energy: -69.490 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: 10 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -906.529043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.529043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.529043 (E_RNA) where: Base-Base interactions energy: -616.073 where: short stacking energy: -265.010 Base-Backbone interact. energy: -3.048 local terms energy: -287.407651 where: bonds (distance) C4'-P energy: -66.794 bonds (distance) P-C4' energy: -54.499 flat angles C4'-P-C4' energy: -69.149 flat angles P-C4'-P energy: -35.943 tors. eta vs tors. theta energy: -61.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -806.812084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.812084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.812084 (E_RNA) where: Base-Base interactions energy: -541.547 where: short stacking energy: -231.622 Base-Backbone interact. energy: -0.038 local terms energy: -265.227702 where: bonds (distance) C4'-P energy: -58.384 bonds (distance) P-C4' energy: -67.627 flat angles C4'-P-C4' energy: -56.093 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -36.716 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: 1 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -570.553653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.553653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.553653 (E_RNA) where: Base-Base interactions energy: -334.538 where: short stacking energy: -167.812 Base-Backbone interact. energy: -1.172 local terms energy: -234.843638 where: bonds (distance) C4'-P energy: -49.835 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -59.851 flat angles P-C4'-P energy: -27.076 tors. eta vs tors. theta energy: -37.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -449.558991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.558991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.558991 (E_RNA) where: Base-Base interactions energy: -258.252 where: short stacking energy: -134.877 Base-Backbone interact. energy: 3.535 local terms energy: -194.841789 where: bonds (distance) C4'-P energy: -59.236 bonds (distance) P-C4' energy: -45.206 flat angles C4'-P-C4' energy: -60.392 flat angles P-C4'-P energy: -27.425 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1332.955460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.955460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.955460 (E_RNA) where: Base-Base interactions energy: -945.748 where: short stacking energy: -397.158 Base-Backbone interact. energy: -0.504 local terms energy: -386.703610 where: bonds (distance) C4'-P energy: -67.721 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -83.405 flat angles P-C4'-P energy: -51.265 tors. eta vs tors. theta energy: -111.462 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: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1273.986846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.986846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.986846 (E_RNA) where: Base-Base interactions energy: -930.559 where: short stacking energy: -387.578 Base-Backbone interact. energy: 0.292 local terms energy: -343.720173 where: bonds (distance) C4'-P energy: -57.694 bonds (distance) P-C4' energy: -55.846 flat angles C4'-P-C4' energy: -80.971 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1213.469004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.469004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.469004 (E_RNA) where: Base-Base interactions energy: -842.860 where: short stacking energy: -357.970 Base-Backbone interact. energy: -0.596 local terms energy: -370.013428 where: bonds (distance) C4'-P energy: -70.340 bonds (distance) P-C4' energy: -75.006 flat angles C4'-P-C4' energy: -71.016 flat angles P-C4'-P energy: -50.438 tors. eta vs tors. theta energy: -103.213 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: 8 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1163.005449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.005449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.005449 (E_RNA) where: Base-Base interactions energy: -811.007 where: short stacking energy: -335.505 Base-Backbone interact. energy: -0.964 local terms energy: -351.033909 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -71.913 flat angles C4'-P-C4' energy: -71.826 flat angles P-C4'-P energy: -48.127 tors. eta vs tors. theta energy: -89.677 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: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1079.642907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.642907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.642907 (E_RNA) where: Base-Base interactions energy: -779.141 where: short stacking energy: -319.777 Base-Backbone interact. energy: 1.051 local terms energy: -301.552343 where: bonds (distance) C4'-P energy: -54.068 bonds (distance) P-C4' energy: -60.950 flat angles C4'-P-C4' energy: -71.307 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -70.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -996.199701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.199701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.199701 (E_RNA) where: Base-Base interactions energy: -696.611 where: short stacking energy: -298.029 Base-Backbone interact. energy: -0.365 local terms energy: -299.223084 where: bonds (distance) C4'-P energy: -56.038 bonds (distance) P-C4' energy: -60.601 flat angles C4'-P-C4' energy: -69.914 flat angles P-C4'-P energy: -35.413 tors. eta vs tors. theta energy: -77.256 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: 7, replica: 10 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -923.192555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.192555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.192555 (E_RNA) where: Base-Base interactions energy: -615.213 where: short stacking energy: -263.601 Base-Backbone interact. energy: -1.140 local terms energy: -306.840129 where: bonds (distance) C4'-P energy: -59.365 bonds (distance) P-C4' energy: -69.804 flat angles C4'-P-C4' energy: -70.336 flat angles P-C4'-P energy: -39.332 tors. eta vs tors. theta energy: -68.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -836.512213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.512213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.512213 (E_RNA) where: Base-Base interactions energy: -556.862 where: short stacking energy: -251.785 Base-Backbone interact. energy: -0.379 local terms energy: -279.271296 where: bonds (distance) C4'-P energy: -55.941 bonds (distance) P-C4' energy: -66.052 flat angles C4'-P-C4' energy: -59.432 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -58.091 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: 1 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -578.738060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.738060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.738060 (E_RNA) where: Base-Base interactions energy: -339.633 where: short stacking energy: -186.347 Base-Backbone interact. energy: 1.677 local terms energy: -240.782639 where: bonds (distance) C4'-P energy: -50.042 bonds (distance) P-C4' energy: -56.129 flat angles C4'-P-C4' energy: -64.457 flat angles P-C4'-P energy: -35.252 tors. eta vs tors. theta energy: -34.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -478.223148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.223148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.223148 (E_RNA) where: Base-Base interactions energy: -273.596 where: short stacking energy: -148.237 Base-Backbone interact. energy: 1.661 local terms energy: -206.288366 where: bonds (distance) C4'-P energy: -48.175 bonds (distance) P-C4' energy: -62.479 flat angles C4'-P-C4' energy: -50.109 flat angles P-C4'-P energy: -31.568 tors. eta vs tors. theta energy: -13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1340.332432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.332432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.332432 (E_RNA) where: Base-Base interactions energy: -953.062 where: short stacking energy: -399.028 Base-Backbone interact. energy: -0.972 local terms energy: -386.298064 where: bonds (distance) C4'-P energy: -65.900 bonds (distance) P-C4' energy: -70.952 flat angles C4'-P-C4' energy: -81.233 flat angles P-C4'-P energy: -53.494 tors. eta vs tors. theta energy: -114.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1266.034851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.034851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.034851 (E_RNA) where: Base-Base interactions energy: -897.203 where: short stacking energy: -369.923 Base-Backbone interact. energy: -1.346 local terms energy: -367.485829 where: bonds (distance) C4'-P energy: -72.243 bonds (distance) P-C4' energy: -74.983 flat angles C4'-P-C4' energy: -72.898 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -94.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1209.370696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.370696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.370696 (E_RNA) where: Base-Base interactions energy: -837.751 where: short stacking energy: -361.888 Base-Backbone interact. energy: -0.980 local terms energy: -370.639948 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -75.567 flat angles P-C4'-P energy: -57.009 tors. eta vs tors. theta energy: -102.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1156.433286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.433286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.433286 (E_RNA) where: Base-Base interactions energy: -812.454 where: short stacking energy: -345.461 Base-Backbone interact. energy: 3.364 local terms energy: -347.343007 where: bonds (distance) C4'-P energy: -57.283 bonds (distance) P-C4' energy: -67.119 flat angles C4'-P-C4' energy: -75.278 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -90.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1076.006624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.006624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.006624 (E_RNA) where: Base-Base interactions energy: -756.947 where: short stacking energy: -311.515 Base-Backbone interact. energy: -1.219 local terms energy: -317.839885 where: bonds (distance) C4'-P energy: -63.069 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -60.741 flat angles P-C4'-P energy: -42.388 tors. eta vs tors. theta energy: -84.144 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: 3 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -966.869779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.869779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.869779 (E_RNA) where: Base-Base interactions energy: -659.210 where: short stacking energy: -300.024 Base-Backbone interact. energy: -0.497 local terms energy: -307.163024 where: bonds (distance) C4'-P energy: -54.267 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -74.135 flat angles P-C4'-P energy: -35.670 tors. eta vs tors. theta energy: -80.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -900.949300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.949300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.949300 (E_RNA) where: Base-Base interactions energy: -600.866 where: short stacking energy: -270.747 Base-Backbone interact. energy: -0.573 local terms energy: -299.510681 where: bonds (distance) C4'-P energy: -59.238 bonds (distance) P-C4' energy: -62.944 flat angles C4'-P-C4' energy: -65.520 flat angles P-C4'-P energy: -44.438 tors. eta vs tors. theta energy: -67.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -832.774994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.774994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.774994 (E_RNA) where: Base-Base interactions energy: -549.510 where: short stacking energy: -248.318 Base-Backbone interact. energy: -0.673 local terms energy: -282.591734 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -51.127 flat angles P-C4'-P energy: -52.488 tors. eta vs tors. theta energy: -50.979 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: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -563.797578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.797578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.797578 (E_RNA) where: Base-Base interactions energy: -331.580 where: short stacking energy: -168.387 Base-Backbone interact. energy: 2.530 local terms energy: -234.748058 where: bonds (distance) C4'-P energy: -38.914 bonds (distance) P-C4' energy: -72.108 flat angles C4'-P-C4' energy: -54.777 flat angles P-C4'-P energy: -36.786 tors. eta vs tors. theta energy: -32.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -523.300796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.300796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.300796 (E_RNA) where: Base-Base interactions energy: -312.065 where: short stacking energy: -162.171 Base-Backbone interact. energy: -2.778 local terms energy: -208.458004 where: bonds (distance) C4'-P energy: -63.843 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -46.162 flat angles P-C4'-P energy: -22.750 tors. eta vs tors. theta energy: -21.931 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: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1357.167775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.167775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.167775 (E_RNA) where: Base-Base interactions energy: -980.882 where: short stacking energy: -416.216 Base-Backbone interact. energy: -0.345 local terms energy: -375.940915 where: bonds (distance) C4'-P energy: -68.436 bonds (distance) P-C4' energy: -67.446 flat angles C4'-P-C4' energy: -81.210 flat angles P-C4'-P energy: -44.144 tors. eta vs tors. theta energy: -114.706 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: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1264.502531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.502531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.502531 (E_RNA) where: Base-Base interactions energy: -895.592 where: short stacking energy: -370.548 Base-Backbone interact. energy: -1.739 local terms energy: -367.171575 where: bonds (distance) C4'-P energy: -67.581 bonds (distance) P-C4' energy: -77.693 flat angles C4'-P-C4' energy: -79.006 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -98.180 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: 211 Temperature: 1.000000 Total energy: -1208.609679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.609679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.609679 (E_RNA) where: Base-Base interactions energy: -848.620 where: short stacking energy: -350.500 Base-Backbone interact. energy: 1.869 local terms energy: -361.859128 where: bonds (distance) C4'-P energy: -61.388 bonds (distance) P-C4' energy: -65.153 flat angles C4'-P-C4' energy: -85.883 flat angles P-C4'-P energy: -53.421 tors. eta vs tors. theta energy: -96.013 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1119.357186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.357186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.357186 (E_RNA) where: Base-Base interactions energy: -776.771 where: short stacking energy: -337.136 Base-Backbone interact. energy: -0.794 local terms energy: -341.792012 where: bonds (distance) C4'-P energy: -53.674 bonds (distance) P-C4' energy: -73.871 flat angles C4'-P-C4' energy: -74.338 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -84.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1077.294181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.294181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.294181 (E_RNA) where: Base-Base interactions energy: -756.571 where: short stacking energy: -305.338 Base-Backbone interact. energy: -0.793 local terms energy: -319.929948 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -55.051 flat angles C4'-P-C4' energy: -69.951 flat angles P-C4'-P energy: -43.173 tors. eta vs tors. theta energy: -84.005 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: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -949.441233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.441233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.441233 (E_RNA) where: Base-Base interactions energy: -633.794 where: short stacking energy: -265.173 Base-Backbone interact. energy: -1.381 local terms energy: -314.265624 where: bonds (distance) C4'-P energy: -59.245 bonds (distance) P-C4' energy: -60.772 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -49.047 tors. eta vs tors. theta energy: -70.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -891.996602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.996602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.996602 (E_RNA) where: Base-Base interactions energy: -602.282 where: short stacking energy: -278.230 Base-Backbone interact. energy: -0.716 local terms energy: -288.998145 where: bonds (distance) C4'-P energy: -47.748 bonds (distance) P-C4' energy: -58.373 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -47.274 tors. eta vs tors. theta energy: -71.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -811.794674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.794674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.794674 (E_RNA) where: Base-Base interactions energy: -535.496 where: short stacking energy: -251.328 Base-Backbone interact. energy: 1.733 local terms energy: -278.032218 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -62.638 flat angles C4'-P-C4' energy: -57.204 flat angles P-C4'-P energy: -40.641 tors. eta vs tors. theta energy: -57.654 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: 1 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -587.110807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.110807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.110807 (E_RNA) where: Base-Base interactions energy: -381.111 where: short stacking energy: -201.514 Base-Backbone interact. energy: 2.765 local terms energy: -208.764924 where: bonds (distance) C4'-P energy: -50.707 bonds (distance) P-C4' energy: -55.927 flat angles C4'-P-C4' energy: -49.408 flat angles P-C4'-P energy: -23.139 tors. eta vs tors. theta energy: -29.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -533.918657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.918657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.918657 (E_RNA) where: Base-Base interactions energy: -311.959 where: short stacking energy: -150.654 Base-Backbone interact. energy: 2.746 local terms energy: -224.705862 where: bonds (distance) C4'-P energy: -60.614 bonds (distance) P-C4' energy: -68.580 flat angles C4'-P-C4' energy: -47.517 flat angles P-C4'-P energy: -26.030 tors. eta vs tors. theta energy: -21.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1339.074759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.074759 (E_RNA) where: Base-Base interactions energy: -941.115 where: short stacking energy: -403.257 Base-Backbone interact. energy: 1.696 local terms energy: -399.656176 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -70.098 flat angles C4'-P-C4' energy: -84.244 flat angles P-C4'-P energy: -61.260 tors. eta vs tors. theta energy: -110.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1259.644119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.644119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.644119 (E_RNA) where: Base-Base interactions energy: -905.820 where: short stacking energy: -371.287 Base-Backbone interact. energy: -2.597 local terms energy: -351.227535 where: bonds (distance) C4'-P energy: -62.277 bonds (distance) P-C4' energy: -73.942 flat angles C4'-P-C4' energy: -75.514 flat angles P-C4'-P energy: -49.654 tors. eta vs tors. theta energy: -89.842 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: 212 Temperature: 1.000000 Total energy: -1212.809128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.809128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.809128 (E_RNA) where: Base-Base interactions energy: -862.983 where: short stacking energy: -348.984 Base-Backbone interact. energy: 0.515 local terms energy: -350.341582 where: bonds (distance) C4'-P energy: -72.774 bonds (distance) P-C4' energy: -65.740 flat angles C4'-P-C4' energy: -60.988 flat angles P-C4'-P energy: -45.282 tors. eta vs tors. theta energy: -105.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1126.045311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.045311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.045311 (E_RNA) where: Base-Base interactions energy: -786.981 where: short stacking energy: -327.676 Base-Backbone interact. energy: -2.802 local terms energy: -336.261500 where: bonds (distance) C4'-P energy: -55.692 bonds (distance) P-C4' energy: -60.776 flat angles C4'-P-C4' energy: -78.031 flat angles P-C4'-P energy: -53.947 tors. eta vs tors. theta energy: -87.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1132.659923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.659923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.659923 (E_RNA) where: Base-Base interactions energy: -789.105 where: short stacking energy: -326.558 Base-Backbone interact. energy: 0.756 local terms energy: -344.310574 where: bonds (distance) C4'-P energy: -64.956 bonds (distance) P-C4' energy: -69.332 flat angles C4'-P-C4' energy: -76.331 flat angles P-C4'-P energy: -46.514 tors. eta vs tors. theta energy: -87.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -937.752451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.752451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.752451 (E_RNA) where: Base-Base interactions energy: -625.342 where: short stacking energy: -279.991 Base-Backbone interact. energy: -2.051 local terms energy: -310.359237 where: bonds (distance) C4'-P energy: -63.882 bonds (distance) P-C4' energy: -65.912 flat angles C4'-P-C4' energy: -65.110 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -75.920 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: 10 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -869.508902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.508902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.508902 (E_RNA) where: Base-Base interactions energy: -580.082 where: short stacking energy: -261.130 Base-Backbone interact. energy: -0.861 local terms energy: -288.566257 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -68.898 flat angles C4'-P-C4' energy: -62.558 flat angles P-C4'-P energy: -45.703 tors. eta vs tors. theta energy: -55.724 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: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -782.165738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.165738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.165738 (E_RNA) where: Base-Base interactions energy: -514.773 where: short stacking energy: -236.926 Base-Backbone interact. energy: -1.726 local terms energy: -265.666987 where: bonds (distance) C4'-P energy: -60.675 bonds (distance) P-C4' energy: -60.393 flat angles C4'-P-C4' energy: -56.806 flat angles P-C4'-P energy: -42.206 tors. eta vs tors. theta energy: -45.588 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -513.009284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.009284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.009284 (E_RNA) where: Base-Base interactions energy: -291.169 where: short stacking energy: -167.980 Base-Backbone interact. energy: -1.123 local terms energy: -220.716957 where: bonds (distance) C4'-P energy: -45.612 bonds (distance) P-C4' energy: -62.738 flat angles C4'-P-C4' energy: -52.014 flat angles P-C4'-P energy: -39.733 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: 10, replica: 1 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -578.557060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.557060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.557060 (E_RNA) where: Base-Base interactions energy: -344.317 where: short stacking energy: -171.741 Base-Backbone interact. energy: -1.839 local terms energy: -232.401018 where: bonds (distance) C4'-P energy: -55.807 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -57.636 flat angles P-C4'-P energy: -27.338 tors. eta vs tors. theta energy: -32.763 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: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1320.628446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.628446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.628446 (E_RNA) where: Base-Base interactions energy: -938.610 where: short stacking energy: -383.916 Base-Backbone interact. energy: -1.400 local terms energy: -380.617900 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -71.193 flat angles C4'-P-C4' energy: -74.434 flat angles P-C4'-P energy: -60.171 tors. eta vs tors. theta energy: -109.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1268.847641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.847641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.847641 (E_RNA) where: Base-Base interactions energy: -877.431 where: short stacking energy: -358.908 Base-Backbone interact. energy: -2.925 local terms energy: -388.491629 where: bonds (distance) C4'-P energy: -74.244 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -80.953 flat angles P-C4'-P energy: -48.184 tors. eta vs tors. theta energy: -106.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1249.985985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.985985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.985985 (E_RNA) where: Base-Base interactions energy: -899.080 where: short stacking energy: -380.347 Base-Backbone interact. energy: -0.248 local terms energy: -350.657960 where: bonds (distance) C4'-P energy: -70.944 bonds (distance) P-C4' energy: -68.861 flat angles C4'-P-C4' energy: -77.476 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -90.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1092.428525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.428525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.428525 (E_RNA) where: Base-Base interactions energy: -761.657 where: short stacking energy: -312.787 Base-Backbone interact. energy: -0.848 local terms energy: -329.923311 where: bonds (distance) C4'-P energy: -62.996 bonds (distance) P-C4' energy: -73.526 flat angles C4'-P-C4' energy: -66.253 flat angles P-C4'-P energy: -49.871 tors. eta vs tors. theta energy: -77.277 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1116.424451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.424451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.424451 (E_RNA) where: Base-Base interactions energy: -799.287 where: short stacking energy: -325.542 Base-Backbone interact. energy: -1.394 local terms energy: -315.743565 where: bonds (distance) C4'-P energy: -57.825 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -73.432 flat angles P-C4'-P energy: -41.555 tors. eta vs tors. theta energy: -80.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -933.561800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.561800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.561800 (E_RNA) where: Base-Base interactions energy: -616.987 where: short stacking energy: -286.588 Base-Backbone interact. energy: -0.469 local terms energy: -316.106443 where: bonds (distance) C4'-P energy: -67.083 bonds (distance) P-C4' energy: -71.554 flat angles C4'-P-C4' energy: -67.320 flat angles P-C4'-P energy: -42.458 tors. eta vs tors. theta energy: -67.691 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: 213 Temperature: 1.200000 Total energy: -939.791883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.791883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.791883 (E_RNA) where: Base-Base interactions energy: -618.062 where: short stacking energy: -279.178 Base-Backbone interact. energy: 1.460 local terms energy: -323.190089 where: bonds (distance) C4'-P energy: -58.728 bonds (distance) P-C4' energy: -68.034 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -51.575 tors. eta vs tors. theta energy: -78.314 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: 213 Temperature: 1.250000 Total energy: -753.521817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.521817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.521817 (E_RNA) where: Base-Base interactions energy: -474.137 where: short stacking energy: -225.240 Base-Backbone interact. energy: -0.324 local terms energy: -279.061552 where: bonds (distance) C4'-P energy: -54.916 bonds (distance) P-C4' energy: -66.513 flat angles C4'-P-C4' energy: -61.307 flat angles P-C4'-P energy: -43.425 tors. eta vs tors. theta energy: -52.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -524.600267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.600267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.600267 (E_RNA) where: Base-Base interactions energy: -313.554 where: short stacking energy: -151.385 Base-Backbone interact. energy: -0.324 local terms energy: -210.722880 where: bonds (distance) C4'-P energy: -51.999 bonds (distance) P-C4' energy: -52.632 flat angles C4'-P-C4' energy: -49.794 flat angles P-C4'-P energy: -28.835 tors. eta vs tors. theta energy: -27.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -582.512337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.512337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.512337 (E_RNA) where: Base-Base interactions energy: -337.667 where: short stacking energy: -167.901 Base-Backbone interact. energy: -1.403 local terms energy: -243.442453 where: bonds (distance) C4'-P energy: -60.969 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -47.261 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -26.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1337.697315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.697315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.697315 (E_RNA) where: Base-Base interactions energy: -950.711 where: short stacking energy: -389.230 Base-Backbone interact. energy: -1.425 local terms energy: -385.561401 where: bonds (distance) C4'-P energy: -80.135 bonds (distance) P-C4' energy: -59.414 flat angles C4'-P-C4' energy: -79.429 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -112.175 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: 214 Temperature: 0.950000 Total energy: -1253.962642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.962642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.962642 (E_RNA) where: Base-Base interactions energy: -885.183 where: short stacking energy: -380.758 Base-Backbone interact. energy: -0.564 local terms energy: -368.215571 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -78.688 flat angles P-C4'-P energy: -52.654 tors. eta vs tors. theta energy: -105.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1256.145215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.145215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.145215 (E_RNA) where: Base-Base interactions energy: -897.643 where: short stacking energy: -368.312 Base-Backbone interact. energy: -2.458 local terms energy: -356.044117 where: bonds (distance) C4'-P energy: -56.561 bonds (distance) P-C4' energy: -73.231 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -92.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1107.355167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.355167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.355167 (E_RNA) where: Base-Base interactions energy: -780.200 where: short stacking energy: -322.318 Base-Backbone interact. energy: -3.856 local terms energy: -323.299540 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -70.737 flat angles C4'-P-C4' energy: -71.582 flat angles P-C4'-P energy: -44.096 tors. eta vs tors. theta energy: -77.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1103.939484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.939484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.939484 (E_RNA) where: Base-Base interactions energy: -766.733 where: short stacking energy: -305.091 Base-Backbone interact. energy: -1.844 local terms energy: -335.362569 where: bonds (distance) C4'-P energy: -63.600 bonds (distance) P-C4' energy: -67.223 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -81.156 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: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -965.681934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.681934 (E_RNA) where: Base-Base interactions energy: -657.092 where: short stacking energy: -301.402 Base-Backbone interact. energy: -1.015 local terms energy: -307.574945 where: bonds (distance) C4'-P energy: -54.061 bonds (distance) P-C4' energy: -63.335 flat angles C4'-P-C4' energy: -72.810 flat angles P-C4'-P energy: -39.441 tors. eta vs tors. theta energy: -77.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -913.736335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.736335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.736335 (E_RNA) where: Base-Base interactions energy: -609.125 where: short stacking energy: -277.887 Base-Backbone interact. energy: -0.603 local terms energy: -304.007828 where: bonds (distance) C4'-P energy: -57.379 bonds (distance) P-C4' energy: -64.689 flat angles C4'-P-C4' energy: -74.439 flat angles P-C4'-P energy: -36.862 tors. eta vs tors. theta energy: -70.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -739.544340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.544340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.544340 (E_RNA) where: Base-Base interactions energy: -492.492 where: short stacking energy: -225.502 Base-Backbone interact. energy: 3.227 local terms energy: -250.279736 where: bonds (distance) C4'-P energy: -55.824 bonds (distance) P-C4' energy: -51.945 flat angles C4'-P-C4' energy: -57.935 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -47.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -560.174118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.174118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.174118 (E_RNA) where: Base-Base interactions energy: -330.501 where: short stacking energy: -185.528 Base-Backbone interact. energy: -2.301 local terms energy: -227.371878 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -56.023 flat angles C4'-P-C4' energy: -57.080 flat angles P-C4'-P energy: -33.343 tors. eta vs tors. theta energy: -29.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -448.424413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.424413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.424413 (E_RNA) where: Base-Base interactions energy: -237.270 where: short stacking energy: -119.792 Base-Backbone interact. energy: 8.594 local terms energy: -219.747573 where: bonds (distance) C4'-P energy: -56.920 bonds (distance) P-C4' energy: -57.896 flat angles C4'-P-C4' energy: -53.699 flat angles P-C4'-P energy: -38.727 tors. eta vs tors. theta energy: -12.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1343.693397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.693397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.693397 (E_RNA) where: Base-Base interactions energy: -955.692 where: short stacking energy: -396.928 Base-Backbone interact. energy: 0.072 local terms energy: -388.073863 where: bonds (distance) C4'-P energy: -63.498 bonds (distance) P-C4' energy: -71.362 flat angles C4'-P-C4' energy: -81.388 flat angles P-C4'-P energy: -54.730 tors. eta vs tors. theta energy: -117.095 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: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1263.142216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.142216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.142216 (E_RNA) where: Base-Base interactions energy: -924.459 where: short stacking energy: -370.615 Base-Backbone interact. energy: -0.626 local terms energy: -338.057129 where: bonds (distance) C4'-P energy: -59.516 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -77.979 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -89.552 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: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1226.448457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.448457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.448457 (E_RNA) where: Base-Base interactions energy: -849.189 where: short stacking energy: -362.741 Base-Backbone interact. energy: -1.112 local terms energy: -376.147134 where: bonds (distance) C4'-P energy: -69.908 bonds (distance) P-C4' energy: -71.944 flat angles C4'-P-C4' energy: -77.621 flat angles P-C4'-P energy: -50.552 tors. eta vs tors. theta energy: -106.122 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: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1133.568055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.568055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.568055 (E_RNA) where: Base-Base interactions energy: -800.547 where: short stacking energy: -313.038 Base-Backbone interact. energy: 1.772 local terms energy: -334.793772 where: bonds (distance) C4'-P energy: -57.164 bonds (distance) P-C4' energy: -75.295 flat angles C4'-P-C4' energy: -77.398 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: -76.914 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: 215 Temperature: 1.100000 Total energy: -1111.786922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.786922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.786922 (E_RNA) where: Base-Base interactions energy: -795.929 where: short stacking energy: -329.662 Base-Backbone interact. energy: 1.645 local terms energy: -317.502889 where: bonds (distance) C4'-P energy: -53.553 bonds (distance) P-C4' energy: -62.210 flat angles C4'-P-C4' energy: -71.389 flat angles P-C4'-P energy: -40.476 tors. eta vs tors. theta energy: -89.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -962.053413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.053413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.053413 (E_RNA) where: Base-Base interactions energy: -663.062 where: short stacking energy: -304.186 Base-Backbone interact. energy: -0.999 local terms energy: -297.992614 where: bonds (distance) C4'-P energy: -66.645 bonds (distance) P-C4' energy: -63.331 flat angles C4'-P-C4' energy: -68.637 flat angles P-C4'-P energy: -28.146 tors. eta vs tors. theta energy: -71.233 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: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -936.547746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.547746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.547746 (E_RNA) where: Base-Base interactions energy: -637.135 where: short stacking energy: -302.300 Base-Backbone interact. energy: -0.474 local terms energy: -298.939092 where: bonds (distance) C4'-P energy: -63.239 bonds (distance) P-C4' energy: -51.062 flat angles C4'-P-C4' energy: -73.697 flat angles P-C4'-P energy: -33.775 tors. eta vs tors. theta energy: -77.165 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: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -735.401447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.401447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.401447 (E_RNA) where: Base-Base interactions energy: -468.065 where: short stacking energy: -202.289 Base-Backbone interact. energy: -0.400 local terms energy: -266.936376 where: bonds (distance) C4'-P energy: -58.688 bonds (distance) P-C4' energy: -61.634 flat angles C4'-P-C4' energy: -63.820 flat angles P-C4'-P energy: -46.472 tors. eta vs tors. theta energy: -36.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -557.076406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.076406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.076406 (E_RNA) where: Base-Base interactions energy: -321.970 where: short stacking energy: -185.003 Base-Backbone interact. energy: 1.426 local terms energy: -236.533005 where: bonds (distance) C4'-P energy: -57.838 bonds (distance) P-C4' energy: -62.900 flat angles C4'-P-C4' energy: -52.719 flat angles P-C4'-P energy: -28.048 tors. eta vs tors. theta energy: -35.028 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: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -464.396245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.396245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.396245 (E_RNA) where: Base-Base interactions energy: -251.011 where: short stacking energy: -133.798 Base-Backbone interact. energy: 2.858 local terms energy: -216.243423 where: bonds (distance) C4'-P energy: -47.187 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -68.885 flat angles P-C4'-P energy: -29.248 tors. eta vs tors. theta energy: -10.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1324.821726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.821726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.821726 (E_RNA) where: Base-Base interactions energy: -942.187 where: short stacking energy: -400.856 Base-Backbone interact. energy: -1.234 local terms energy: -381.399919 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -65.864 flat angles C4'-P-C4' energy: -79.247 flat angles P-C4'-P energy: -54.708 tors. eta vs tors. theta energy: -110.174 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1254.946077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.946077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.946077 (E_RNA) where: Base-Base interactions energy: -893.147 where: short stacking energy: -357.285 Base-Backbone interact. energy: 2.029 local terms energy: -363.827490 where: bonds (distance) C4'-P energy: -72.153 bonds (distance) P-C4' energy: -68.560 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: -90.155 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: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1184.579258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.579258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.579258 (E_RNA) where: Base-Base interactions energy: -832.902 where: short stacking energy: -365.343 Base-Backbone interact. energy: -0.702 local terms energy: -350.975478 where: bonds (distance) C4'-P energy: -57.865 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -75.580 flat angles P-C4'-P energy: -46.771 tors. eta vs tors. theta energy: -110.064 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: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1133.748351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.748351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.748351 (E_RNA) where: Base-Base interactions energy: -800.872 where: short stacking energy: -335.105 Base-Backbone interact. energy: 0.627 local terms energy: -333.503094 where: bonds (distance) C4'-P energy: -63.547 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -66.592 flat angles P-C4'-P energy: -46.198 tors. eta vs tors. theta energy: -82.253 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: 216 Temperature: 1.100000 Total energy: -1105.392130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.392130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.392130 (E_RNA) where: Base-Base interactions energy: -790.765 where: short stacking energy: -313.302 Base-Backbone interact. energy: -0.548 local terms energy: -314.079434 where: bonds (distance) C4'-P energy: -60.955 bonds (distance) P-C4' energy: -63.558 flat angles C4'-P-C4' energy: -72.135 flat angles P-C4'-P energy: -37.703 tors. eta vs tors. theta energy: -79.728 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: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -947.095255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.095255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.095255 (E_RNA) where: Base-Base interactions energy: -654.685 where: short stacking energy: -291.573 Base-Backbone interact. energy: 2.179 local terms energy: -294.589806 where: bonds (distance) C4'-P energy: -43.826 bonds (distance) P-C4' energy: -62.346 flat angles C4'-P-C4' energy: -75.111 flat angles P-C4'-P energy: -46.669 tors. eta vs tors. theta energy: -66.637 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: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -929.747506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.747506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.747506 (E_RNA) where: Base-Base interactions energy: -651.157 where: short stacking energy: -281.831 Base-Backbone interact. energy: -1.749 local terms energy: -276.841668 where: bonds (distance) C4'-P energy: -45.411 bonds (distance) P-C4' energy: -61.872 flat angles C4'-P-C4' energy: -68.361 flat angles P-C4'-P energy: -29.485 tors. eta vs tors. theta energy: -71.712 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: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -738.627003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.627003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.627003 (E_RNA) where: Base-Base interactions energy: -478.504 where: short stacking energy: -226.799 Base-Backbone interact. energy: -1.553 local terms energy: -258.569485 where: bonds (distance) C4'-P energy: -54.133 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -32.213 tors. eta vs tors. theta energy: -42.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -577.851245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.851245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.851245 (E_RNA) where: Base-Base interactions energy: -331.201 where: short stacking energy: -181.843 Base-Backbone interact. energy: -0.718 local terms energy: -245.932635 where: bonds (distance) C4'-P energy: -61.456 bonds (distance) P-C4' energy: -49.166 flat angles C4'-P-C4' energy: -51.667 flat angles P-C4'-P energy: -51.075 tors. eta vs tors. theta energy: -32.569 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: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -469.732060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.732060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.732060 (E_RNA) where: Base-Base interactions energy: -289.743 where: short stacking energy: -154.117 Base-Backbone interact. energy: 0.966 local terms energy: -180.954757 where: bonds (distance) C4'-P energy: -36.505 bonds (distance) P-C4' energy: -48.618 flat angles C4'-P-C4' energy: -52.721 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -10.921 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: 217 Temperature: 0.900000 Total energy: -1323.911490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.911490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.911490 (E_RNA) where: Base-Base interactions energy: -946.801 where: short stacking energy: -391.879 Base-Backbone interact. energy: -0.705 local terms energy: -376.404830 where: bonds (distance) C4'-P energy: -66.682 bonds (distance) P-C4' energy: -73.862 flat angles C4'-P-C4' energy: -76.364 flat angles P-C4'-P energy: -47.666 tors. eta vs tors. theta energy: -111.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1282.134601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.134601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.134601 (E_RNA) where: Base-Base interactions energy: -923.018 where: short stacking energy: -374.350 Base-Backbone interact. energy: 0.695 local terms energy: -359.811722 where: bonds (distance) C4'-P energy: -77.555 bonds (distance) P-C4' energy: -72.488 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -46.493 tors. eta vs tors. theta energy: -92.554 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: 9 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1190.021086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.021086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.021086 (E_RNA) where: Base-Base interactions energy: -828.658 where: short stacking energy: -357.592 Base-Backbone interact. energy: 0.344 local terms energy: -361.707056 where: bonds (distance) C4'-P energy: -63.315 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -82.483 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -101.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1125.654945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.654945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.654945 (E_RNA) where: Base-Base interactions energy: -804.667 where: short stacking energy: -327.944 Base-Backbone interact. energy: -0.579 local terms energy: -320.409086 where: bonds (distance) C4'-P energy: -54.989 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -64.081 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -77.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1099.902926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.902926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.902926 (E_RNA) where: Base-Base interactions energy: -797.540 where: short stacking energy: -314.360 Base-Backbone interact. energy: -0.792 local terms energy: -301.570529 where: bonds (distance) C4'-P energy: -50.503 bonds (distance) P-C4' energy: -55.117 flat angles C4'-P-C4' energy: -76.952 flat angles P-C4'-P energy: -37.353 tors. eta vs tors. theta energy: -81.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -924.894953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.894953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.894953 (E_RNA) where: Base-Base interactions energy: -610.767 where: short stacking energy: -283.053 Base-Backbone interact. energy: 0.697 local terms energy: -314.824735 where: bonds (distance) C4'-P energy: -67.604 bonds (distance) P-C4' energy: -70.575 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -40.884 tors. eta vs tors. theta energy: -66.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -873.609551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.609551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.609551 (E_RNA) where: Base-Base interactions energy: -588.751 where: short stacking energy: -257.998 Base-Backbone interact. energy: -0.982 local terms energy: -283.876646 where: bonds (distance) C4'-P energy: -64.098 bonds (distance) P-C4' energy: -51.957 flat angles C4'-P-C4' energy: -67.109 flat angles P-C4'-P energy: -34.018 tors. eta vs tors. theta energy: -66.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -741.025120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.025120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.025120 (E_RNA) where: Base-Base interactions energy: -488.229 where: short stacking energy: -228.016 Base-Backbone interact. energy: -2.213 local terms energy: -250.583258 where: bonds (distance) C4'-P energy: -52.184 bonds (distance) P-C4' energy: -57.445 flat angles C4'-P-C4' energy: -55.190 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -46.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -564.597678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.597678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.597678 (E_RNA) where: Base-Base interactions energy: -336.304 where: short stacking energy: -189.274 Base-Backbone interact. energy: 0.725 local terms energy: -229.018902 where: bonds (distance) C4'-P energy: -52.934 bonds (distance) P-C4' energy: -52.866 flat angles C4'-P-C4' energy: -46.484 flat angles P-C4'-P energy: -19.211 tors. eta vs tors. theta energy: -57.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -462.347790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.347790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.347790 (E_RNA) where: Base-Base interactions energy: -246.170 where: short stacking energy: -152.636 Base-Backbone interact. energy: 4.315 local terms energy: -220.492839 where: bonds (distance) C4'-P energy: -47.840 bonds (distance) P-C4' energy: -59.636 flat angles C4'-P-C4' energy: -60.403 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1354.539907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.539907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.539907 (E_RNA) where: Base-Base interactions energy: -960.960 where: short stacking energy: -385.498 Base-Backbone interact. energy: -0.083 local terms energy: -393.497161 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -77.839 flat angles C4'-P-C4' energy: -79.604 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -114.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1264.822825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.822825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.822825 (E_RNA) where: Base-Base interactions energy: -903.688 where: short stacking energy: -369.400 Base-Backbone interact. energy: -2.954 local terms energy: -358.180478 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -69.711 flat angles C4'-P-C4' energy: -75.008 flat angles P-C4'-P energy: -53.074 tors. eta vs tors. theta energy: -97.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1189.647848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.647848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.647848 (E_RNA) where: Base-Base interactions energy: -828.409 where: short stacking energy: -345.894 Base-Backbone interact. energy: 0.605 local terms energy: -361.844257 where: bonds (distance) C4'-P energy: -66.006 bonds (distance) P-C4' energy: -65.383 flat angles C4'-P-C4' energy: -78.360 flat angles P-C4'-P energy: -54.260 tors. eta vs tors. theta energy: -97.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1112.178003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.178003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.178003 (E_RNA) where: Base-Base interactions energy: -787.329 where: short stacking energy: -331.715 Base-Backbone interact. energy: -1.933 local terms energy: -322.915998 where: bonds (distance) C4'-P energy: -67.088 bonds (distance) P-C4' energy: -69.406 flat angles C4'-P-C4' energy: -69.234 flat angles P-C4'-P energy: -37.845 tors. eta vs tors. theta energy: -79.343 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: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1090.566308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.566308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.566308 (E_RNA) where: Base-Base interactions energy: -761.090 where: short stacking energy: -306.146 Base-Backbone interact. energy: 0.018 local terms energy: -329.494638 where: bonds (distance) C4'-P energy: -66.816 bonds (distance) P-C4' energy: -68.655 flat angles C4'-P-C4' energy: -76.888 flat angles P-C4'-P energy: -33.720 tors. eta vs tors. theta energy: -83.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -908.158759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.158759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.158759 (E_RNA) where: Base-Base interactions energy: -600.812 where: short stacking energy: -260.340 Base-Backbone interact. energy: 1.823 local terms energy: -309.169920 where: bonds (distance) C4'-P energy: -56.433 bonds (distance) P-C4' energy: -67.267 flat angles C4'-P-C4' energy: -81.056 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -58.649 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: 218 Temperature: 1.200000 Total energy: -903.865884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.865884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.865884 (E_RNA) where: Base-Base interactions energy: -610.473 where: short stacking energy: -280.223 Base-Backbone interact. energy: 2.865 local terms energy: -296.258123 where: bonds (distance) C4'-P energy: -66.505 bonds (distance) P-C4' energy: -69.703 flat angles C4'-P-C4' energy: -60.140 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -61.126 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: 218 Temperature: 1.250000 Total energy: -764.210352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.210352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.210352 (E_RNA) where: Base-Base interactions energy: -479.394 where: short stacking energy: -221.866 Base-Backbone interact. energy: -2.252 local terms energy: -282.564514 where: bonds (distance) C4'-P energy: -67.766 bonds (distance) P-C4' energy: -59.638 flat angles C4'-P-C4' energy: -65.600 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: -48.021 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: 1 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -573.992332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.992332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.992332 (E_RNA) where: Base-Base interactions energy: -360.607 where: short stacking energy: -171.876 Base-Backbone interact. energy: 1.699 local terms energy: -215.084572 where: bonds (distance) C4'-P energy: -48.690 bonds (distance) P-C4' energy: -51.349 flat angles C4'-P-C4' energy: -57.324 flat angles P-C4'-P energy: -28.626 tors. eta vs tors. theta energy: -29.095 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: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -452.133299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.133299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.133299 (E_RNA) where: Base-Base interactions energy: -248.540 where: short stacking energy: -147.081 Base-Backbone interact. energy: 0.223 local terms energy: -203.815989 where: bonds (distance) C4'-P energy: -53.317 bonds (distance) P-C4' energy: -54.381 flat angles C4'-P-C4' energy: -45.082 flat angles P-C4'-P energy: -30.004 tors. eta vs tors. theta energy: -21.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1337.658947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.658947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.658947 (E_RNA) where: Base-Base interactions energy: -959.449 where: short stacking energy: -405.232 Base-Backbone interact. energy: -0.204 local terms energy: -378.005867 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -74.412 flat angles C4'-P-C4' energy: -76.798 flat angles P-C4'-P energy: -51.733 tors. eta vs tors. theta energy: -114.966 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: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1259.951396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.951396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.951396 (E_RNA) where: Base-Base interactions energy: -903.412 where: short stacking energy: -362.466 Base-Backbone interact. energy: 5.109 local terms energy: -361.648928 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -73.178 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -56.029 tors. eta vs tors. theta energy: -91.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1197.968526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.968526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.968526 (E_RNA) where: Base-Base interactions energy: -840.850 where: short stacking energy: -359.228 Base-Backbone interact. energy: -1.705 local terms energy: -355.414303 where: bonds (distance) C4'-P energy: -63.931 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -55.054 tors. eta vs tors. theta energy: -105.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1109.518383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.518383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.518383 (E_RNA) where: Base-Base interactions energy: -777.037 where: short stacking energy: -330.993 Base-Backbone interact. energy: 1.191 local terms energy: -333.671423 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -63.654 flat angles C4'-P-C4' energy: -78.583 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -84.290 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: 219 Temperature: 1.100000 Total energy: -1092.788896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.788896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.788896 (E_RNA) where: Base-Base interactions energy: -777.343 where: short stacking energy: -310.165 Base-Backbone interact. energy: -0.679 local terms energy: -314.767714 where: bonds (distance) C4'-P energy: -64.083 bonds (distance) P-C4' energy: -70.856 flat angles C4'-P-C4' energy: -70.202 flat angles P-C4'-P energy: -33.577 tors. eta vs tors. theta energy: -76.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -926.764701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.764701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.764701 (E_RNA) where: Base-Base interactions energy: -611.434 where: short stacking energy: -294.506 Base-Backbone interact. energy: -2.017 local terms energy: -313.313241 where: bonds (distance) C4'-P energy: -58.023 bonds (distance) P-C4' energy: -63.064 flat angles C4'-P-C4' energy: -67.808 flat angles P-C4'-P energy: -46.664 tors. eta vs tors. theta energy: -77.755 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: 10 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -899.325299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.325299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.325299 (E_RNA) where: Base-Base interactions energy: -592.988 where: short stacking energy: -274.002 Base-Backbone interact. energy: -1.576 local terms energy: -304.761706 where: bonds (distance) C4'-P energy: -54.372 bonds (distance) P-C4' energy: -68.008 flat angles C4'-P-C4' energy: -67.727 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -73.576 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: 8, replica: 5 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -741.274370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.274370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.274370 (E_RNA) where: Base-Base interactions energy: -497.173 where: short stacking energy: -222.517 Base-Backbone interact. energy: 1.733 local terms energy: -245.834487 where: bonds (distance) C4'-P energy: -57.704 bonds (distance) P-C4' energy: -58.435 flat angles C4'-P-C4' energy: -49.455 flat angles P-C4'-P energy: -39.252 tors. eta vs tors. theta energy: -40.989 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: 1 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -566.906002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.906002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.906002 (E_RNA) where: Base-Base interactions energy: -320.191 where: short stacking energy: -157.448 Base-Backbone interact. energy: -1.327 local terms energy: -245.387393 where: bonds (distance) C4'-P energy: -52.400 bonds (distance) P-C4' energy: -64.546 flat angles C4'-P-C4' energy: -67.317 flat angles P-C4'-P energy: -39.751 tors. eta vs tors. theta energy: -21.373 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: 10, replica: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -472.676884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.676884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.676884 (E_RNA) where: Base-Base interactions energy: -275.581 where: short stacking energy: -148.283 Base-Backbone interact. energy: -1.360 local terms energy: -195.735718 where: bonds (distance) C4'-P energy: -64.261 bonds (distance) P-C4' energy: -36.235 flat angles C4'-P-C4' energy: -50.585 flat angles P-C4'-P energy: -42.399 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1291.347711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.347711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.347711 (E_RNA) where: Base-Base interactions energy: -921.526 where: short stacking energy: -375.626 Base-Backbone interact. energy: -0.929 local terms energy: -368.892709 where: bonds (distance) C4'-P energy: -73.237 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -50.708 tors. eta vs tors. theta energy: -101.007 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: 220 Temperature: 0.950000 Total energy: -1318.723081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.723081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.723081 (E_RNA) where: Base-Base interactions energy: -949.343 where: short stacking energy: -393.686 Base-Backbone interact. energy: -1.137 local terms energy: -368.242299 where: bonds (distance) C4'-P energy: -68.569 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -116.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1200.543556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.543556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.543556 (E_RNA) where: Base-Base interactions energy: -830.138 where: short stacking energy: -360.076 Base-Backbone interact. energy: -1.167 local terms energy: -369.238630 where: bonds (distance) C4'-P energy: -74.421 bonds (distance) P-C4' energy: -63.357 flat angles C4'-P-C4' energy: -71.190 flat angles P-C4'-P energy: -54.770 tors. eta vs tors. theta energy: -105.501 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: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1142.169017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.169017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.169017 (E_RNA) where: Base-Base interactions energy: -800.269 where: short stacking energy: -308.855 Base-Backbone interact. energy: -3.030 local terms energy: -338.870801 where: bonds (distance) C4'-P energy: -69.132 bonds (distance) P-C4' energy: -69.381 flat angles C4'-P-C4' energy: -78.354 flat angles P-C4'-P energy: -45.099 tors. eta vs tors. theta energy: -76.904 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: 220 Temperature: 1.100000 Total energy: -1081.942854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.942854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.942854 (E_RNA) where: Base-Base interactions energy: -765.431 where: short stacking energy: -320.832 Base-Backbone interact. energy: -1.051 local terms energy: -315.460899 where: bonds (distance) C4'-P energy: -67.894 bonds (distance) P-C4' energy: -52.895 flat angles C4'-P-C4' energy: -64.005 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: -82.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -931.534205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.534205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.534205 (E_RNA) where: Base-Base interactions energy: -612.339 where: short stacking energy: -267.832 Base-Backbone interact. energy: -1.231 local terms energy: -317.964065 where: bonds (distance) C4'-P energy: -67.780 bonds (distance) P-C4' energy: -60.337 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -49.625 tors. eta vs tors. theta energy: -68.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -913.890840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.890840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.890840 (E_RNA) where: Base-Base interactions energy: -616.260 where: short stacking energy: -281.949 Base-Backbone interact. energy: -1.111 local terms energy: -296.519991 where: bonds (distance) C4'-P energy: -62.158 bonds (distance) P-C4' energy: -59.225 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -43.801 tors. eta vs tors. theta energy: -68.562 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: 5 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -749.269041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.269041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.269041 (E_RNA) where: Base-Base interactions energy: -496.668 where: short stacking energy: -222.271 Base-Backbone interact. energy: -0.528 local terms energy: -252.072634 where: bonds (distance) C4'-P energy: -55.622 bonds (distance) P-C4' energy: -63.387 flat angles C4'-P-C4' energy: -61.042 flat angles P-C4'-P energy: -39.711 tors. eta vs tors. theta energy: -32.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -598.682712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.682712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.682712 (E_RNA) where: Base-Base interactions energy: -356.411 where: short stacking energy: -204.946 Base-Backbone interact. energy: -1.922 local terms energy: -240.348982 where: bonds (distance) C4'-P energy: -55.439 bonds (distance) P-C4' energy: -58.614 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -27.945 tors. eta vs tors. theta energy: -35.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -445.437305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.437305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.437305 (E_RNA) where: Base-Base interactions energy: -220.687 where: short stacking energy: -125.689 Base-Backbone interact. energy: 0.651 local terms energy: -225.401553 where: bonds (distance) C4'-P energy: -51.840 bonds (distance) P-C4' energy: -61.941 flat angles C4'-P-C4' energy: -54.316 flat angles P-C4'-P energy: -33.775 tors. eta vs tors. theta energy: -23.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1280.350956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.350956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.350956 (E_RNA) where: Base-Base interactions energy: -914.710 where: short stacking energy: -372.576 Base-Backbone interact. energy: -0.760 local terms energy: -364.880822 where: bonds (distance) C4'-P energy: -71.925 bonds (distance) P-C4' energy: -72.541 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -52.139 tors. eta vs tors. theta energy: -94.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1317.870286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.870286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.870286 (E_RNA) where: Base-Base interactions energy: -936.540 where: short stacking energy: -392.225 Base-Backbone interact. energy: -1.034 local terms energy: -380.296943 where: bonds (distance) C4'-P energy: -71.310 bonds (distance) P-C4' energy: -65.345 flat angles C4'-P-C4' energy: -76.108 flat angles P-C4'-P energy: -54.927 tors. eta vs tors. theta energy: -112.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1225.682840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.682840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.682840 (E_RNA) where: Base-Base interactions energy: -851.432 where: short stacking energy: -354.969 Base-Backbone interact. energy: -1.228 local terms energy: -373.022703 where: bonds (distance) C4'-P energy: -70.388 bonds (distance) P-C4' energy: -68.206 flat angles C4'-P-C4' energy: -72.645 flat angles P-C4'-P energy: -56.615 tors. eta vs tors. theta energy: -105.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1134.682817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.682817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.682817 (E_RNA) where: Base-Base interactions energy: -800.161 where: short stacking energy: -315.434 Base-Backbone interact. energy: -2.684 local terms energy: -331.837548 where: bonds (distance) C4'-P energy: -62.434 bonds (distance) P-C4' energy: -70.874 flat angles C4'-P-C4' energy: -73.834 flat angles P-C4'-P energy: -43.795 tors. eta vs tors. theta energy: -80.901 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: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1100.018835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.018835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.018835 (E_RNA) where: Base-Base interactions energy: -770.616 where: short stacking energy: -299.519 Base-Backbone interact. energy: 0.199 local terms energy: -329.601702 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -71.985 flat angles C4'-P-C4' energy: -72.710 flat angles P-C4'-P energy: -50.068 tors. eta vs tors. theta energy: -77.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -938.164603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.164603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.164603 (E_RNA) where: Base-Base interactions energy: -646.229 where: short stacking energy: -287.387 Base-Backbone interact. energy: -2.258 local terms energy: -289.677749 where: bonds (distance) C4'-P energy: -56.017 bonds (distance) P-C4' energy: -61.732 flat angles C4'-P-C4' energy: -55.839 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -68.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -843.319718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.319718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.319718 (E_RNA) where: Base-Base interactions energy: -571.791 where: short stacking energy: -249.991 Base-Backbone interact. energy: -1.508 local terms energy: -270.020752 where: bonds (distance) C4'-P energy: -55.396 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -60.062 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -62.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -773.481617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.481617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.481617 (E_RNA) where: Base-Base interactions energy: -508.377 where: short stacking energy: -235.601 Base-Backbone interact. energy: -1.413 local terms energy: -263.691584 where: bonds (distance) C4'-P energy: -55.670 bonds (distance) P-C4' energy: -60.435 flat angles C4'-P-C4' energy: -57.411 flat angles P-C4'-P energy: -38.103 tors. eta vs tors. theta energy: -52.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -575.661526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.661526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.661526 (E_RNA) where: Base-Base interactions energy: -327.283 where: short stacking energy: -181.055 Base-Backbone interact. energy: -1.612 local terms energy: -246.766901 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -63.043 flat angles C4'-P-C4' energy: -48.929 flat angles P-C4'-P energy: -35.227 tors. eta vs tors. theta energy: -33.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -406.891430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.891430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.891430 (E_RNA) where: Base-Base interactions energy: -202.489 where: short stacking energy: -111.099 Base-Backbone interact. energy: 4.016 local terms energy: -208.418454 where: bonds (distance) C4'-P energy: -50.939 bonds (distance) P-C4' energy: -67.416 flat angles C4'-P-C4' energy: -47.228 flat angles P-C4'-P energy: -39.456 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1352.115195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.115195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.115195 (E_RNA) where: Base-Base interactions energy: -967.457 where: short stacking energy: -406.279 Base-Backbone interact. energy: -0.796 local terms energy: -383.862038 where: bonds (distance) C4'-P energy: -75.153 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -78.797 flat angles P-C4'-P energy: -47.679 tors. eta vs tors. theta energy: -112.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1263.541303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.541303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.541303 (E_RNA) where: Base-Base interactions energy: -899.951 where: short stacking energy: -366.389 Base-Backbone interact. energy: 6.360 local terms energy: -369.950334 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -66.249 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -55.996 tors. eta vs tors. theta energy: -97.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1223.370422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.370422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.370422 (E_RNA) where: Base-Base interactions energy: -867.918 where: short stacking energy: -375.476 Base-Backbone interact. energy: -0.053 local terms energy: -355.399521 where: bonds (distance) C4'-P energy: -63.175 bonds (distance) P-C4' energy: -60.942 flat angles C4'-P-C4' energy: -75.997 flat angles P-C4'-P energy: -44.490 tors. eta vs tors. theta energy: -110.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1111.759003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.759003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.759003 (E_RNA) where: Base-Base interactions energy: -773.168 where: short stacking energy: -323.339 Base-Backbone interact. energy: -5.709 local terms energy: -332.882126 where: bonds (distance) C4'-P energy: -64.575 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -66.711 flat angles P-C4'-P energy: -42.018 tors. eta vs tors. theta energy: -87.894 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: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1113.063562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.063562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.063562 (E_RNA) where: Base-Base interactions energy: -788.392 where: short stacking energy: -323.635 Base-Backbone interact. energy: 3.915 local terms energy: -328.586868 where: bonds (distance) C4'-P energy: -59.004 bonds (distance) P-C4' energy: -65.895 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -50.561 tors. eta vs tors. theta energy: -83.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -951.420749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.420749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.420749 (E_RNA) where: Base-Base interactions energy: -671.815 where: short stacking energy: -280.048 Base-Backbone interact. energy: -1.919 local terms energy: -277.687120 where: bonds (distance) C4'-P energy: -51.111 bonds (distance) P-C4' energy: -49.943 flat angles C4'-P-C4' energy: -68.006 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -71.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -837.533914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.533914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.533914 (E_RNA) where: Base-Base interactions energy: -549.241 where: short stacking energy: -231.478 Base-Backbone interact. energy: -2.024 local terms energy: -286.269054 where: bonds (distance) C4'-P energy: -52.078 bonds (distance) P-C4' energy: -67.569 flat angles C4'-P-C4' energy: -56.752 flat angles P-C4'-P energy: -50.130 tors. eta vs tors. theta energy: -59.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -748.543218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.543218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.543218 (E_RNA) where: Base-Base interactions energy: -493.279 where: short stacking energy: -217.212 Base-Backbone interact. energy: 1.219 local terms energy: -256.483791 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -68.593 flat angles C4'-P-C4' energy: -64.281 flat angles P-C4'-P energy: -15.668 tors. eta vs tors. theta energy: -38.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -607.344231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.344231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.344231 (E_RNA) where: Base-Base interactions energy: -388.534 where: short stacking energy: -218.125 Base-Backbone interact. energy: -0.126 local terms energy: -218.683907 where: bonds (distance) C4'-P energy: -52.274 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -51.240 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -38.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -398.563559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.563559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.563559 (E_RNA) where: Base-Base interactions energy: -203.647 where: short stacking energy: -116.572 Base-Backbone interact. energy: -2.373 local terms energy: -192.543216 where: bonds (distance) C4'-P energy: -43.097 bonds (distance) P-C4' energy: -61.417 flat angles C4'-P-C4' energy: -58.878 flat angles P-C4'-P energy: -19.694 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1343.540777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.540777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.540777 (E_RNA) where: Base-Base interactions energy: -952.444 where: short stacking energy: -397.207 Base-Backbone interact. energy: -0.404 local terms energy: -390.692323 where: bonds (distance) C4'-P energy: -68.063 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -82.691 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -111.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1282.225921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.225921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.225921 (E_RNA) where: Base-Base interactions energy: -919.327 where: short stacking energy: -381.882 Base-Backbone interact. energy: -2.522 local terms energy: -360.376916 where: bonds (distance) C4'-P energy: -74.890 bonds (distance) P-C4' energy: -63.771 flat angles C4'-P-C4' energy: -79.396 flat angles P-C4'-P energy: -44.448 tors. eta vs tors. theta energy: -97.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1203.778876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.778876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.778876 (E_RNA) where: Base-Base interactions energy: -843.961 where: short stacking energy: -355.484 Base-Backbone interact. energy: -1.338 local terms energy: -358.479818 where: bonds (distance) C4'-P energy: -64.213 bonds (distance) P-C4' energy: -64.796 flat angles C4'-P-C4' energy: -74.350 flat angles P-C4'-P energy: -52.609 tors. eta vs tors. theta energy: -102.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1162.478857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.478857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.478857 (E_RNA) where: Base-Base interactions energy: -815.432 where: short stacking energy: -334.635 Base-Backbone interact. energy: -1.864 local terms energy: -345.183409 where: bonds (distance) C4'-P energy: -64.971 bonds (distance) P-C4' energy: -61.451 flat angles C4'-P-C4' energy: -77.390 flat angles P-C4'-P energy: -52.547 tors. eta vs tors. theta energy: -88.825 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: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1089.737742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.737742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.737742 (E_RNA) where: Base-Base interactions energy: -784.029 where: short stacking energy: -299.274 Base-Backbone interact. energy: 0.795 local terms energy: -306.503568 where: bonds (distance) C4'-P energy: -63.495 bonds (distance) P-C4' energy: -59.264 flat angles C4'-P-C4' energy: -71.240 flat angles P-C4'-P energy: -30.888 tors. eta vs tors. theta energy: -81.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -977.321825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.321825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.321825 (E_RNA) where: Base-Base interactions energy: -671.538 where: short stacking energy: -302.950 Base-Backbone interact. energy: 0.481 local terms energy: -306.264298 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -59.535 flat angles C4'-P-C4' energy: -67.104 flat angles P-C4'-P energy: -38.055 tors. eta vs tors. theta energy: -82.018 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: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -899.246323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.246323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.246323 (E_RNA) where: Base-Base interactions energy: -618.633 where: short stacking energy: -260.838 Base-Backbone interact. energy: -1.816 local terms energy: -278.797476 where: bonds (distance) C4'-P energy: -37.543 bonds (distance) P-C4' energy: -69.849 flat angles C4'-P-C4' energy: -66.633 flat angles P-C4'-P energy: -37.491 tors. eta vs tors. theta energy: -67.280 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: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -746.937138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.937138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.937138 (E_RNA) where: Base-Base interactions energy: -464.751 where: short stacking energy: -226.174 Base-Backbone interact. energy: -2.193 local terms energy: -279.993493 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -64.537 flat angles C4'-P-C4' energy: -62.273 flat angles P-C4'-P energy: -44.913 tors. eta vs tors. theta energy: -49.366 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: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -601.593246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.593246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.593246 (E_RNA) where: Base-Base interactions energy: -352.105 where: short stacking energy: -198.370 Base-Backbone interact. energy: 0.107 local terms energy: -249.595640 where: bonds (distance) C4'-P energy: -55.833 bonds (distance) P-C4' energy: -65.097 flat angles C4'-P-C4' energy: -53.185 flat angles P-C4'-P energy: -39.141 tors. eta vs tors. theta energy: -36.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -393.681068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.681068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.681068 (E_RNA) where: Base-Base interactions energy: -178.918 where: short stacking energy: -113.832 Base-Backbone interact. energy: 0.437 local terms energy: -215.200037 where: bonds (distance) C4'-P energy: -62.819 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -52.856 flat angles P-C4'-P energy: -30.037 tors. eta vs tors. theta energy: -1.017 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: 1, replica: 4 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1344.598272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.598272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.598272 (E_RNA) where: Base-Base interactions energy: -946.795 where: short stacking energy: -393.666 Base-Backbone interact. energy: -0.669 local terms energy: -397.133798 where: bonds (distance) C4'-P energy: -68.297 bonds (distance) P-C4' energy: -77.905 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -55.074 tors. eta vs tors. theta energy: -119.158 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: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1291.004178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.004178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.004178 (E_RNA) where: Base-Base interactions energy: -930.895 where: short stacking energy: -374.790 Base-Backbone interact. energy: -0.255 local terms energy: -359.854382 where: bonds (distance) C4'-P energy: -74.045 bonds (distance) P-C4' energy: -65.189 flat angles C4'-P-C4' energy: -72.794 flat angles P-C4'-P energy: -41.815 tors. eta vs tors. theta energy: -106.011 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: 9 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1220.701818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.701818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.701818 (E_RNA) where: Base-Base interactions energy: -856.813 where: short stacking energy: -364.779 Base-Backbone interact. energy: -0.271 local terms energy: -363.617915 where: bonds (distance) C4'-P energy: -65.933 bonds (distance) P-C4' energy: -72.116 flat angles C4'-P-C4' energy: -76.405 flat angles P-C4'-P energy: -42.993 tors. eta vs tors. theta energy: -106.171 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: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1147.876460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.876460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.876460 (E_RNA) where: Base-Base interactions energy: -820.304 where: short stacking energy: -345.368 Base-Backbone interact. energy: -2.567 local terms energy: -325.006039 where: bonds (distance) C4'-P energy: -63.678 bonds (distance) P-C4' energy: -65.052 flat angles C4'-P-C4' energy: -72.820 flat angles P-C4'-P energy: -41.859 tors. eta vs tors. theta energy: -81.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1091.381244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.381244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.381244 (E_RNA) where: Base-Base interactions energy: -772.047 where: short stacking energy: -298.856 Base-Backbone interact. energy: -1.993 local terms energy: -317.341699 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -76.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -987.082687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.082687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.082687 (E_RNA) where: Base-Base interactions energy: -672.989 where: short stacking energy: -303.202 Base-Backbone interact. energy: -1.733 local terms energy: -312.361076 where: bonds (distance) C4'-P energy: -63.245 bonds (distance) P-C4' energy: -59.339 flat angles C4'-P-C4' energy: -72.631 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -74.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -959.941001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.941001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.941001 (E_RNA) where: Base-Base interactions energy: -639.228 where: short stacking energy: -278.193 Base-Backbone interact. energy: -1.139 local terms energy: -319.574120 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -67.449 flat angles C4'-P-C4' energy: -79.213 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -63.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -740.845773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.845773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.845773 (E_RNA) where: Base-Base interactions energy: -480.766 where: short stacking energy: -224.841 Base-Backbone interact. energy: 0.527 local terms energy: -260.607159 where: bonds (distance) C4'-P energy: -51.350 bonds (distance) P-C4' energy: -63.475 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -40.622 tors. eta vs tors. theta energy: -45.068 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: 224 Temperature: 1.300000 Total energy: -608.397227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.397227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.397227 (E_RNA) where: Base-Base interactions energy: -357.090 where: short stacking energy: -184.072 Base-Backbone interact. energy: 0.254 local terms energy: -251.561054 where: bonds (distance) C4'-P energy: -54.674 bonds (distance) P-C4' energy: -60.070 flat angles C4'-P-C4' energy: -60.216 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -30.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -411.058277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.058277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.058277 (E_RNA) where: Base-Base interactions energy: -228.797 where: short stacking energy: -128.978 Base-Backbone interact. energy: -1.341 local terms energy: -180.920537 where: bonds (distance) C4'-P energy: -47.073 bonds (distance) P-C4' energy: -57.986 flat angles C4'-P-C4' energy: -56.449 flat angles P-C4'-P energy: -22.500 tors. eta vs tors. theta energy: 3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1349.880481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.880481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.880481 (E_RNA) where: Base-Base interactions energy: -966.895 where: short stacking energy: -408.427 Base-Backbone interact. energy: -0.531 local terms energy: -382.453617 where: bonds (distance) C4'-P energy: -68.702 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -74.640 flat angles P-C4'-P energy: -51.045 tors. eta vs tors. theta energy: -122.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1278.526209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.526209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.526209 (E_RNA) where: Base-Base interactions energy: -929.442 where: short stacking energy: -370.381 Base-Backbone interact. energy: -1.076 local terms energy: -348.007754 where: bonds (distance) C4'-P energy: -61.899 bonds (distance) P-C4' energy: -64.192 flat angles C4'-P-C4' energy: -75.097 flat angles P-C4'-P energy: -52.568 tors. eta vs tors. theta energy: -94.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1232.460129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.460129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.460129 (E_RNA) where: Base-Base interactions energy: -854.227 where: short stacking energy: -367.169 Base-Backbone interact. energy: 0.880 local terms energy: -379.113367 where: bonds (distance) C4'-P energy: -71.739 bonds (distance) P-C4' energy: -73.721 flat angles C4'-P-C4' energy: -71.756 flat angles P-C4'-P energy: -53.251 tors. eta vs tors. theta energy: -108.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1136.007027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.007027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.007027 (E_RNA) where: Base-Base interactions energy: -818.876 where: short stacking energy: -322.688 Base-Backbone interact. energy: -2.128 local terms energy: -315.003150 where: bonds (distance) C4'-P energy: -59.330 bonds (distance) P-C4' energy: -60.404 flat angles C4'-P-C4' energy: -74.866 flat angles P-C4'-P energy: -40.033 tors. eta vs tors. theta energy: -80.369 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: 5, replica: 6 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1069.689309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.689309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.689309 (E_RNA) where: Base-Base interactions energy: -755.211 where: short stacking energy: -307.290 Base-Backbone interact. energy: 5.301 local terms energy: -319.779812 where: bonds (distance) C4'-P energy: -59.214 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -36.986 tors. eta vs tors. theta energy: -87.070 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: 225 Temperature: 1.150000 Total energy: -991.128937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.128937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.128937 (E_RNA) where: Base-Base interactions energy: -679.090 where: short stacking energy: -314.104 Base-Backbone interact. energy: -0.386 local terms energy: -311.652966 where: bonds (distance) C4'-P energy: -57.944 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -63.584 flat angles P-C4'-P energy: -46.759 tors. eta vs tors. theta energy: -80.252 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: 7, replica: 10 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -877.816412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.816412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.816412 (E_RNA) where: Base-Base interactions energy: -618.846 where: short stacking energy: -243.485 Base-Backbone interact. energy: -0.246 local terms energy: -258.724449 where: bonds (distance) C4'-P energy: -58.759 bonds (distance) P-C4' energy: -66.587 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -29.490 tors. eta vs tors. theta energy: -48.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -752.636170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.636170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.636170 (E_RNA) where: Base-Base interactions energy: -485.406 where: short stacking energy: -228.458 Base-Backbone interact. energy: -0.289 local terms energy: -266.941350 where: bonds (distance) C4'-P energy: -61.358 bonds (distance) P-C4' energy: -48.585 flat angles C4'-P-C4' energy: -70.855 flat angles P-C4'-P energy: -38.868 tors. eta vs tors. theta energy: -47.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -612.153669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.153669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.153669 (E_RNA) where: Base-Base interactions energy: -356.984 where: short stacking energy: -179.196 Base-Backbone interact. energy: -2.984 local terms energy: -252.185600 where: bonds (distance) C4'-P energy: -59.139 bonds (distance) P-C4' energy: -67.458 flat angles C4'-P-C4' energy: -52.368 flat angles P-C4'-P energy: -43.811 tors. eta vs tors. theta energy: -29.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -409.138959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.138959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.138959 (E_RNA) where: Base-Base interactions energy: -194.862 where: short stacking energy: -110.491 Base-Backbone interact. energy: -1.116 local terms energy: -213.160906 where: bonds (distance) C4'-P energy: -48.918 bonds (distance) P-C4' energy: -62.054 flat angles C4'-P-C4' energy: -65.302 flat angles P-C4'-P energy: -29.945 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1355.361851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.361851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.361851 (E_RNA) where: Base-Base interactions energy: -956.148 where: short stacking energy: -410.558 Base-Backbone interact. energy: -0.700 local terms energy: -398.513840 where: bonds (distance) C4'-P energy: -73.022 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -84.528 flat angles P-C4'-P energy: -58.675 tors. eta vs tors. theta energy: -115.296 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: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1263.853747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.853747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.853747 (E_RNA) where: Base-Base interactions energy: -913.421 where: short stacking energy: -381.373 Base-Backbone interact. energy: -0.067 local terms energy: -350.365704 where: bonds (distance) C4'-P energy: -69.653 bonds (distance) P-C4' energy: -58.395 flat angles C4'-P-C4' energy: -78.901 flat angles P-C4'-P energy: -40.244 tors. eta vs tors. theta energy: -103.173 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: 226 Temperature: 1.000000 Total energy: -1199.531881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.531881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.531881 (E_RNA) where: Base-Base interactions energy: -834.097 where: short stacking energy: -353.997 Base-Backbone interact. energy: -0.830 local terms energy: -364.604583 where: bonds (distance) C4'-P energy: -68.436 bonds (distance) P-C4' energy: -65.775 flat angles C4'-P-C4' energy: -84.775 flat angles P-C4'-P energy: -49.772 tors. eta vs tors. theta energy: -95.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1128.158719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.158719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.158719 (E_RNA) where: Base-Base interactions energy: -794.176 where: short stacking energy: -332.013 Base-Backbone interact. energy: -0.500 local terms energy: -333.482717 where: bonds (distance) C4'-P energy: -65.869 bonds (distance) P-C4' energy: -61.096 flat angles C4'-P-C4' energy: -70.653 flat angles P-C4'-P energy: -50.550 tors. eta vs tors. theta energy: -85.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1086.085250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.085250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.085250 (E_RNA) where: Base-Base interactions energy: -778.321 where: short stacking energy: -323.547 Base-Backbone interact. energy: -2.248 local terms energy: -305.516287 where: bonds (distance) C4'-P energy: -63.150 bonds (distance) P-C4' energy: -61.575 flat angles C4'-P-C4' energy: -69.686 flat angles P-C4'-P energy: -36.125 tors. eta vs tors. theta energy: -74.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1000.687778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.687778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.687778 (E_RNA) where: Base-Base interactions energy: -692.248 where: short stacking energy: -300.294 Base-Backbone interact. energy: 0.699 local terms energy: -309.138548 where: bonds (distance) C4'-P energy: -58.119 bonds (distance) P-C4' energy: -57.648 flat angles C4'-P-C4' energy: -64.215 flat angles P-C4'-P energy: -46.650 tors. eta vs tors. theta energy: -82.506 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: 10 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -924.301415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.301415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.301415 (E_RNA) where: Base-Base interactions energy: -643.819 where: short stacking energy: -266.418 Base-Backbone interact. energy: -0.239 local terms energy: -280.242848 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -69.697 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -30.585 tors. eta vs tors. theta energy: -52.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -799.660903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.660903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.660903 (E_RNA) where: Base-Base interactions energy: -541.608 where: short stacking energy: -229.090 Base-Backbone interact. energy: -1.932 local terms energy: -256.121616 where: bonds (distance) C4'-P energy: -49.404 bonds (distance) P-C4' energy: -51.742 flat angles C4'-P-C4' energy: -64.520 flat angles P-C4'-P energy: -34.277 tors. eta vs tors. theta energy: -56.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -620.231211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.231211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.231211 (E_RNA) where: Base-Base interactions energy: -389.858 where: short stacking energy: -201.859 Base-Backbone interact. energy: 13.843 local terms energy: -244.216029 where: bonds (distance) C4'-P energy: -51.120 bonds (distance) P-C4' energy: -72.375 flat angles C4'-P-C4' energy: -59.764 flat angles P-C4'-P energy: -40.465 tors. eta vs tors. theta energy: -20.492 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: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -429.777794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.777794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.777794 (E_RNA) where: Base-Base interactions energy: -226.299 where: short stacking energy: -131.167 Base-Backbone interact. energy: 3.486 local terms energy: -206.965348 where: bonds (distance) C4'-P energy: -64.674 bonds (distance) P-C4' energy: -61.130 flat angles C4'-P-C4' energy: -42.407 flat angles P-C4'-P energy: -29.990 tors. eta vs tors. theta energy: -8.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1348.123842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.123842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.123842 (E_RNA) where: Base-Base interactions energy: -956.748 where: short stacking energy: -389.651 Base-Backbone interact. energy: -1.914 local terms energy: -389.461249 where: bonds (distance) C4'-P energy: -72.513 bonds (distance) P-C4' energy: -67.871 flat angles C4'-P-C4' energy: -76.920 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -114.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1287.619579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.619579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.619579 (E_RNA) where: Base-Base interactions energy: -912.878 where: short stacking energy: -372.817 Base-Backbone interact. energy: -2.146 local terms energy: -372.595225 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -73.310 flat angles C4'-P-C4' energy: -77.435 flat angles P-C4'-P energy: -53.625 tors. eta vs tors. theta energy: -99.480 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: 227 Temperature: 1.000000 Total energy: -1197.840843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.840843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.840843 (E_RNA) where: Base-Base interactions energy: -838.245 where: short stacking energy: -372.908 Base-Backbone interact. energy: -0.332 local terms energy: -359.263948 where: bonds (distance) C4'-P energy: -52.563 bonds (distance) P-C4' energy: -66.397 flat angles C4'-P-C4' energy: -81.750 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -107.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1133.122907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.122907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.122907 (E_RNA) where: Base-Base interactions energy: -831.187 where: short stacking energy: -323.538 Base-Backbone interact. energy: 0.174 local terms energy: -302.109068 where: bonds (distance) C4'-P energy: -48.393 bonds (distance) P-C4' energy: -56.217 flat angles C4'-P-C4' energy: -66.432 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -89.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1060.385340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.385340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.385340 (E_RNA) where: Base-Base interactions energy: -737.022 where: short stacking energy: -318.622 Base-Backbone interact. energy: 1.947 local terms energy: -325.309937 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -49.353 flat angles C4'-P-C4' energy: -77.236 flat angles P-C4'-P energy: -53.985 tors. eta vs tors. theta energy: -81.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1012.005328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.005328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.005328 (E_RNA) where: Base-Base interactions energy: -683.573 where: short stacking energy: -315.086 Base-Backbone interact. energy: -0.329 local terms energy: -328.103425 where: bonds (distance) C4'-P energy: -61.568 bonds (distance) P-C4' energy: -61.224 flat angles C4'-P-C4' energy: -68.042 flat angles P-C4'-P energy: -45.165 tors. eta vs tors. theta energy: -92.105 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: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -921.748763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.748763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.748763 (E_RNA) where: Base-Base interactions energy: -644.011 where: short stacking energy: -266.758 Base-Backbone interact. energy: 3.011 local terms energy: -280.748341 where: bonds (distance) C4'-P energy: -48.893 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -62.609 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -62.421 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: 5 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -824.722595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.722595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.722595 (E_RNA) where: Base-Base interactions energy: -569.726 where: short stacking energy: -242.726 Base-Backbone interact. energy: -1.462 local terms energy: -253.534050 where: bonds (distance) C4'-P energy: -52.403 bonds (distance) P-C4' energy: -57.987 flat angles C4'-P-C4' energy: -65.322 flat angles P-C4'-P energy: -35.448 tors. eta vs tors. theta energy: -42.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -622.592034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.592034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.592034 (E_RNA) where: Base-Base interactions energy: -379.668 where: short stacking energy: -186.800 Base-Backbone interact. energy: -0.449 local terms energy: -242.474410 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -60.226 flat angles C4'-P-C4' energy: -61.130 flat angles P-C4'-P energy: -33.586 tors. eta vs tors. theta energy: -28.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -410.595046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.595046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.595046 (E_RNA) where: Base-Base interactions energy: -195.720 where: short stacking energy: -107.645 Base-Backbone interact. energy: -1.369 local terms energy: -213.506037 where: bonds (distance) C4'-P energy: -74.504 bonds (distance) P-C4' energy: -57.260 flat angles C4'-P-C4' energy: -54.841 flat angles P-C4'-P energy: -21.642 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1339.643282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.643282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.643282 (E_RNA) where: Base-Base interactions energy: -955.629 where: short stacking energy: -408.770 Base-Backbone interact. energy: -1.326 local terms energy: -382.688518 where: bonds (distance) C4'-P energy: -67.751 bonds (distance) P-C4' energy: -63.350 flat angles C4'-P-C4' energy: -76.514 flat angles P-C4'-P energy: -59.870 tors. eta vs tors. theta energy: -115.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1263.116102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.116102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.116102 (E_RNA) where: Base-Base interactions energy: -911.105 where: short stacking energy: -368.689 Base-Backbone interact. energy: -0.813 local terms energy: -351.197953 where: bonds (distance) C4'-P energy: -58.640 bonds (distance) P-C4' energy: -73.024 flat angles C4'-P-C4' energy: -77.746 flat angles P-C4'-P energy: -40.076 tors. eta vs tors. theta energy: -101.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1202.122490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.122490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.122490 (E_RNA) where: Base-Base interactions energy: -844.771 where: short stacking energy: -355.904 Base-Backbone interact. energy: 1.423 local terms energy: -358.773939 where: bonds (distance) C4'-P energy: -73.704 bonds (distance) P-C4' energy: -57.515 flat angles C4'-P-C4' energy: -73.713 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -100.892 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: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1141.942152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.942152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.942152 (E_RNA) where: Base-Base interactions energy: -798.180 where: short stacking energy: -330.463 Base-Backbone interact. energy: 0.262 local terms energy: -344.023688 where: bonds (distance) C4'-P energy: -71.799 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -71.179 flat angles P-C4'-P energy: -52.069 tors. eta vs tors. theta energy: -84.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1066.346383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.346383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.346383 (E_RNA) where: Base-Base interactions energy: -739.883 where: short stacking energy: -307.319 Base-Backbone interact. energy: 2.047 local terms energy: -328.510258 where: bonds (distance) C4'-P energy: -72.631 bonds (distance) P-C4' energy: -68.000 flat angles C4'-P-C4' energy: -69.823 flat angles P-C4'-P energy: -44.368 tors. eta vs tors. theta energy: -73.688 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: 3 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -995.418685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.418685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.418685 (E_RNA) where: Base-Base interactions energy: -665.746 where: short stacking energy: -320.854 Base-Backbone interact. energy: 1.592 local terms energy: -331.265331 where: bonds (distance) C4'-P energy: -69.112 bonds (distance) P-C4' energy: -58.448 flat angles C4'-P-C4' energy: -68.848 flat angles P-C4'-P energy: -41.498 tors. eta vs tors. theta energy: -93.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -921.481325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.481325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.481325 (E_RNA) where: Base-Base interactions energy: -629.749 where: short stacking energy: -246.554 Base-Backbone interact. energy: -0.357 local terms energy: -291.374548 where: bonds (distance) C4'-P energy: -52.240 bonds (distance) P-C4' energy: -75.407 flat angles C4'-P-C4' energy: -61.343 flat angles P-C4'-P energy: -39.833 tors. eta vs tors. theta energy: -62.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -852.681029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.681029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.681029 (E_RNA) where: Base-Base interactions energy: -570.014 where: short stacking energy: -252.233 Base-Backbone interact. energy: -2.602 local terms energy: -280.064326 where: bonds (distance) C4'-P energy: -55.890 bonds (distance) P-C4' energy: -63.860 flat angles C4'-P-C4' energy: -68.759 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -55.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -637.550988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.550988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.550988 (E_RNA) where: Base-Base interactions energy: -379.026 where: short stacking energy: -180.293 Base-Backbone interact. energy: 8.418 local terms energy: -266.943055 where: bonds (distance) C4'-P energy: -64.480 bonds (distance) P-C4' energy: -58.639 flat angles C4'-P-C4' energy: -67.763 flat angles P-C4'-P energy: -41.265 tors. eta vs tors. theta energy: -34.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -425.620322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.620322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.620322 (E_RNA) where: Base-Base interactions energy: -224.203 where: short stacking energy: -116.047 Base-Backbone interact. energy: 1.188 local terms energy: -202.604482 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -66.213 flat angles C4'-P-C4' energy: -39.906 flat angles P-C4'-P energy: -33.213 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1347.901683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.901683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.901683 (E_RNA) where: Base-Base interactions energy: -962.691 where: short stacking energy: -408.444 Base-Backbone interact. energy: -0.871 local terms energy: -384.339475 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -62.489 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -53.895 tors. eta vs tors. theta energy: -114.027 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: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1267.522291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.522291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.522291 (E_RNA) where: Base-Base interactions energy: -898.520 where: short stacking energy: -374.483 Base-Backbone interact. energy: -0.852 local terms energy: -368.150528 where: bonds (distance) C4'-P energy: -72.190 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -82.693 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: -91.611 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: 229 Temperature: 1.000000 Total energy: -1187.339842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.339842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.339842 (E_RNA) where: Base-Base interactions energy: -836.918 where: short stacking energy: -353.647 Base-Backbone interact. energy: -0.214 local terms energy: -350.207484 where: bonds (distance) C4'-P energy: -59.635 bonds (distance) P-C4' energy: -76.372 flat angles C4'-P-C4' energy: -81.811 flat angles P-C4'-P energy: -34.809 tors. eta vs tors. theta energy: -97.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1141.300589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.300589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.300589 (E_RNA) where: Base-Base interactions energy: -810.432 where: short stacking energy: -324.197 Base-Backbone interact. energy: -2.801 local terms energy: -328.068252 where: bonds (distance) C4'-P energy: -68.381 bonds (distance) P-C4' energy: -63.094 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -49.876 tors. eta vs tors. theta energy: -81.207 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: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1062.210762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.210762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.210762 (E_RNA) where: Base-Base interactions energy: -740.565 where: short stacking energy: -311.647 Base-Backbone interact. energy: 3.823 local terms energy: -325.468687 where: bonds (distance) C4'-P energy: -59.323 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -73.261 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -81.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1005.339082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.339082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.339082 (E_RNA) where: Base-Base interactions energy: -668.763 where: short stacking energy: -301.075 Base-Backbone interact. energy: -1.198 local terms energy: -335.378718 where: bonds (distance) C4'-P energy: -58.356 bonds (distance) P-C4' energy: -71.371 flat angles C4'-P-C4' energy: -75.831 flat angles P-C4'-P energy: -45.353 tors. eta vs tors. theta energy: -84.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -874.423110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.423110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.423110 (E_RNA) where: Base-Base interactions energy: -569.995 where: short stacking energy: -254.689 Base-Backbone interact. energy: -0.093 local terms energy: -304.335570 where: bonds (distance) C4'-P energy: -68.451 bonds (distance) P-C4' energy: -69.529 flat angles C4'-P-C4' energy: -62.517 flat angles P-C4'-P energy: -47.126 tors. eta vs tors. theta energy: -56.713 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: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -852.077439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.077439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.077439 (E_RNA) where: Base-Base interactions energy: -585.478 where: short stacking energy: -253.199 Base-Backbone interact. energy: -0.821 local terms energy: -265.777835 where: bonds (distance) C4'-P energy: -50.822 bonds (distance) P-C4' energy: -62.028 flat angles C4'-P-C4' energy: -67.797 flat angles P-C4'-P energy: -33.018 tors. eta vs tors. theta energy: -52.112 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: 1 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -590.601883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.601883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.601883 (E_RNA) where: Base-Base interactions energy: -351.893 where: short stacking energy: -176.194 Base-Backbone interact. energy: -0.813 local terms energy: -237.895365 where: bonds (distance) C4'-P energy: -59.266 bonds (distance) P-C4' energy: -57.517 flat angles C4'-P-C4' energy: -58.520 flat angles P-C4'-P energy: -41.464 tors. eta vs tors. theta energy: -21.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -440.860784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.860784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.860784 (E_RNA) where: Base-Base interactions energy: -241.756 where: short stacking energy: -120.085 Base-Backbone interact. energy: 6.447 local terms energy: -205.551805 where: bonds (distance) C4'-P energy: -51.523 bonds (distance) P-C4' energy: -56.051 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -40.577 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1367.010981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.010981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.010981 (E_RNA) where: Base-Base interactions energy: -971.999 where: short stacking energy: -415.834 Base-Backbone interact. energy: -0.958 local terms energy: -394.053772 where: bonds (distance) C4'-P energy: -75.870 bonds (distance) P-C4' energy: -63.091 flat angles C4'-P-C4' energy: -81.988 flat angles P-C4'-P energy: -57.167 tors. eta vs tors. theta energy: -115.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1253.541010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.541010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.541010 (E_RNA) where: Base-Base interactions energy: -900.970 where: short stacking energy: -385.465 Base-Backbone interact. energy: -0.752 local terms energy: -351.818539 where: bonds (distance) C4'-P energy: -74.594 bonds (distance) P-C4' energy: -63.686 flat angles C4'-P-C4' energy: -80.897 flat angles P-C4'-P energy: -39.534 tors. eta vs tors. theta energy: -93.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1198.536631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.536631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.536631 (E_RNA) where: Base-Base interactions energy: -832.928 where: short stacking energy: -346.315 Base-Backbone interact. energy: -1.438 local terms energy: -364.170599 where: bonds (distance) C4'-P energy: -72.390 bonds (distance) P-C4' energy: -62.029 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -59.171 tors. eta vs tors. theta energy: -96.096 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1141.373959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.373959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.373959 (E_RNA) where: Base-Base interactions energy: -805.664 where: short stacking energy: -320.747 Base-Backbone interact. energy: -0.647 local terms energy: -335.062588 where: bonds (distance) C4'-P energy: -61.208 bonds (distance) P-C4' energy: -65.539 flat angles C4'-P-C4' energy: -80.507 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -86.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1006.515223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.515223 (E_RNA) where: Base-Base interactions energy: -682.465 where: short stacking energy: -297.663 Base-Backbone interact. energy: -0.350 local terms energy: -323.700653 where: bonds (distance) C4'-P energy: -64.032 bonds (distance) P-C4' energy: -67.526 flat angles C4'-P-C4' energy: -73.621 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -73.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1058.655129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.655129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.655129 (E_RNA) where: Base-Base interactions energy: -759.340 where: short stacking energy: -302.811 Base-Backbone interact. energy: 0.669 local terms energy: -299.984371 where: bonds (distance) C4'-P energy: -64.855 bonds (distance) P-C4' energy: -52.070 flat angles C4'-P-C4' energy: -70.336 flat angles P-C4'-P energy: -44.565 tors. eta vs tors. theta energy: -68.159 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: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -884.282331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.282331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.282331 (E_RNA) where: Base-Base interactions energy: -591.950 where: short stacking energy: -263.593 Base-Backbone interact. energy: -0.921 local terms energy: -291.411842 where: bonds (distance) C4'-P energy: -59.793 bonds (distance) P-C4' energy: -63.995 flat angles C4'-P-C4' energy: -69.347 flat angles P-C4'-P energy: -44.721 tors. eta vs tors. theta energy: -53.556 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: 10 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -838.955139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.955139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.955139 (E_RNA) where: Base-Base interactions energy: -552.158 where: short stacking energy: -236.146 Base-Backbone interact. energy: 1.229 local terms energy: -288.025674 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -62.227 flat angles C4'-P-C4' energy: -54.184 flat angles P-C4'-P energy: -52.999 tors. eta vs tors. theta energy: -58.160 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: 230 Temperature: 1.300000 Total energy: -604.637142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.637142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.637142 (E_RNA) where: Base-Base interactions energy: -362.464 where: short stacking energy: -188.119 Base-Backbone interact. energy: -0.874 local terms energy: -241.299364 where: bonds (distance) C4'-P energy: -54.254 bonds (distance) P-C4' energy: -64.840 flat angles C4'-P-C4' energy: -54.590 flat angles P-C4'-P energy: -39.408 tors. eta vs tors. theta energy: -28.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -430.980575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.980575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.980575 (E_RNA) where: Base-Base interactions energy: -211.586 where: short stacking energy: -135.544 Base-Backbone interact. energy: -1.263 local terms energy: -218.131651 where: bonds (distance) C4'-P energy: -54.819 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -56.936 flat angles P-C4'-P energy: -39.957 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1348.528001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.528001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.528001 (E_RNA) where: Base-Base interactions energy: -957.005 where: short stacking energy: -415.049 Base-Backbone interact. energy: -1.227 local terms energy: -390.296061 where: bonds (distance) C4'-P energy: -68.008 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -83.552 flat angles P-C4'-P energy: -55.954 tors. eta vs tors. theta energy: -117.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1273.733504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.733504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.733504 (E_RNA) where: Base-Base interactions energy: -932.344 where: short stacking energy: -377.772 Base-Backbone interact. energy: 0.721 local terms energy: -342.110088 where: bonds (distance) C4'-P energy: -53.822 bonds (distance) P-C4' energy: -74.775 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -35.834 tors. eta vs tors. theta energy: -104.153 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: 9 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1206.819338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.819338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.819338 (E_RNA) where: Base-Base interactions energy: -844.495 where: short stacking energy: -364.501 Base-Backbone interact. energy: -0.070 local terms energy: -362.254456 where: bonds (distance) C4'-P energy: -58.149 bonds (distance) P-C4' energy: -68.135 flat angles C4'-P-C4' energy: -72.292 flat angles P-C4'-P energy: -61.638 tors. eta vs tors. theta energy: -102.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1141.676635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.676635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.676635 (E_RNA) where: Base-Base interactions energy: -800.317 where: short stacking energy: -312.242 Base-Backbone interact. energy: 2.011 local terms energy: -343.370450 where: bonds (distance) C4'-P energy: -66.725 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -80.236 flat angles P-C4'-P energy: -42.490 tors. eta vs tors. theta energy: -83.361 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: 231 Temperature: 1.100000 Total energy: -1020.146880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.146880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.146880 (E_RNA) where: Base-Base interactions energy: -695.206 where: short stacking energy: -305.236 Base-Backbone interact. energy: -0.666 local terms energy: -324.274169 where: bonds (distance) C4'-P energy: -57.730 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -47.016 tors. eta vs tors. theta energy: -75.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1050.141339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.141339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.141339 (E_RNA) where: Base-Base interactions energy: -731.420 where: short stacking energy: -302.559 Base-Backbone interact. energy: 0.533 local terms energy: -319.253795 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -61.493 flat angles C4'-P-C4' energy: -74.653 flat angles P-C4'-P energy: -36.299 tors. eta vs tors. theta energy: -79.440 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -899.059655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.059655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.059655 (E_RNA) where: Base-Base interactions energy: -623.990 where: short stacking energy: -255.047 Base-Backbone interact. energy: -1.013 local terms energy: -274.056746 where: bonds (distance) C4'-P energy: -46.733 bonds (distance) P-C4' energy: -55.588 flat angles C4'-P-C4' energy: -65.386 flat angles P-C4'-P energy: -49.415 tors. eta vs tors. theta energy: -56.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -807.389230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.389230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.389230 (E_RNA) where: Base-Base interactions energy: -536.694 where: short stacking energy: -251.853 Base-Backbone interact. energy: -1.097 local terms energy: -269.598018 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -56.242 flat angles C4'-P-C4' energy: -57.653 flat angles P-C4'-P energy: -37.789 tors. eta vs tors. theta energy: -56.033 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: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -624.826380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.826380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.826380 (E_RNA) where: Base-Base interactions energy: -402.215 where: short stacking energy: -203.489 Base-Backbone interact. energy: -0.485 local terms energy: -222.126181 where: bonds (distance) C4'-P energy: -50.101 bonds (distance) P-C4' energy: -54.699 flat angles C4'-P-C4' energy: -41.504 flat angles P-C4'-P energy: -39.811 tors. eta vs tors. theta energy: -36.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -392.614335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.614335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.614335 (E_RNA) where: Base-Base interactions energy: -192.061 where: short stacking energy: -119.884 Base-Backbone interact. energy: -2.999 local terms energy: -197.554990 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -57.150 flat angles C4'-P-C4' energy: -52.871 flat angles P-C4'-P energy: -21.637 tors. eta vs tors. theta energy: -6.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1340.404089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.404089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.404089 (E_RNA) where: Base-Base interactions energy: -952.989 where: short stacking energy: -399.398 Base-Backbone interact. energy: -1.950 local terms energy: -385.465237 where: bonds (distance) C4'-P energy: -51.534 bonds (distance) P-C4' energy: -76.786 flat angles C4'-P-C4' energy: -78.523 flat angles P-C4'-P energy: -56.132 tors. eta vs tors. theta energy: -122.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1262.203032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.203032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.203032 (E_RNA) where: Base-Base interactions energy: -903.099 where: short stacking energy: -347.434 Base-Backbone interact. energy: -1.906 local terms energy: -357.198301 where: bonds (distance) C4'-P energy: -69.619 bonds (distance) P-C4' energy: -71.365 flat angles C4'-P-C4' energy: -76.082 flat angles P-C4'-P energy: -48.439 tors. eta vs tors. theta energy: -91.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1193.563239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.563239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.563239 (E_RNA) where: Base-Base interactions energy: -830.124 where: short stacking energy: -344.540 Base-Backbone interact. energy: 0.938 local terms energy: -364.377128 where: bonds (distance) C4'-P energy: -64.767 bonds (distance) P-C4' energy: -64.435 flat angles C4'-P-C4' energy: -78.084 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -106.456 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: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1154.200935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.200935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.200935 (E_RNA) where: Base-Base interactions energy: -810.191 where: short stacking energy: -333.491 Base-Backbone interact. energy: -0.767 local terms energy: -343.243116 where: bonds (distance) C4'-P energy: -71.494 bonds (distance) P-C4' energy: -71.314 flat angles C4'-P-C4' energy: -69.735 flat angles P-C4'-P energy: -48.221 tors. eta vs tors. theta energy: -82.479 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: 3 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1024.326584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.326584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.326584 (E_RNA) where: Base-Base interactions energy: -688.032 where: short stacking energy: -321.162 Base-Backbone interact. energy: -0.705 local terms energy: -335.590194 where: bonds (distance) C4'-P energy: -67.195 bonds (distance) P-C4' energy: -67.909 flat angles C4'-P-C4' energy: -72.270 flat angles P-C4'-P energy: -41.082 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: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1035.881044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.881044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.881044 (E_RNA) where: Base-Base interactions energy: -717.971 where: short stacking energy: -288.998 Base-Backbone interact. energy: 1.556 local terms energy: -319.465755 where: bonds (distance) C4'-P energy: -69.290 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -62.382 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -62.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -938.769573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.769573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.769573 (E_RNA) where: Base-Base interactions energy: -654.540 where: short stacking energy: -289.882 Base-Backbone interact. energy: -2.313 local terms energy: -281.917089 where: bonds (distance) C4'-P energy: -57.308 bonds (distance) P-C4' energy: -55.713 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -41.607 tors. eta vs tors. theta energy: -67.550 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: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -823.167546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.167546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.167546 (E_RNA) where: Base-Base interactions energy: -554.780 where: short stacking energy: -244.773 Base-Backbone interact. energy: -0.601 local terms energy: -267.786698 where: bonds (distance) C4'-P energy: -66.103 bonds (distance) P-C4' energy: -55.913 flat angles C4'-P-C4' energy: -58.293 flat angles P-C4'-P energy: -41.086 tors. eta vs tors. theta energy: -46.392 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: 1 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -641.039028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.039028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.039028 (E_RNA) where: Base-Base interactions energy: -396.339 where: short stacking energy: -205.144 Base-Backbone interact. energy: 0.544 local terms energy: -245.244025 where: bonds (distance) C4'-P energy: -48.460 bonds (distance) P-C4' energy: -54.830 flat angles C4'-P-C4' energy: -61.170 flat angles P-C4'-P energy: -35.604 tors. eta vs tors. theta energy: -45.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -418.527222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.527222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.527222 (E_RNA) where: Base-Base interactions energy: -200.960 where: short stacking energy: -118.760 Base-Backbone interact. energy: -4.208 local terms energy: -213.359802 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -65.681 flat angles C4'-P-C4' energy: -57.938 flat angles P-C4'-P energy: -30.670 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1334.222193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.222193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.222193 (E_RNA) where: Base-Base interactions energy: -945.233 where: short stacking energy: -392.377 Base-Backbone interact. energy: -1.806 local terms energy: -387.182958 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -83.122 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -110.378 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: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1266.749500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.749500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.749500 (E_RNA) where: Base-Base interactions energy: -900.431 where: short stacking energy: -364.856 Base-Backbone interact. energy: -0.687 local terms energy: -365.631927 where: bonds (distance) C4'-P energy: -69.278 bonds (distance) P-C4' energy: -71.163 flat angles C4'-P-C4' energy: -80.674 flat angles P-C4'-P energy: -44.242 tors. eta vs tors. theta energy: -100.275 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: 233 Temperature: 1.000000 Total energy: -1185.538822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.538822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.538822 (E_RNA) where: Base-Base interactions energy: -827.095 where: short stacking energy: -359.929 Base-Backbone interact. energy: 1.140 local terms energy: -359.583744 where: bonds (distance) C4'-P energy: -70.567 bonds (distance) P-C4' energy: -62.791 flat angles C4'-P-C4' energy: -81.781 flat angles P-C4'-P energy: -42.983 tors. eta vs tors. theta energy: -101.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1151.963730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.963730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.963730 (E_RNA) where: Base-Base interactions energy: -825.471 where: short stacking energy: -342.531 Base-Backbone interact. energy: -0.499 local terms energy: -325.993502 where: bonds (distance) C4'-P energy: -59.833 bonds (distance) P-C4' energy: -50.517 flat angles C4'-P-C4' energy: -77.911 flat angles P-C4'-P energy: -50.449 tors. eta vs tors. theta energy: -87.284 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: 3 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1040.156687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.156687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.156687 (E_RNA) where: Base-Base interactions energy: -704.984 where: short stacking energy: -326.206 Base-Backbone interact. energy: 0.537 local terms energy: -335.710202 where: bonds (distance) C4'-P energy: -65.348 bonds (distance) P-C4' energy: -68.799 flat angles C4'-P-C4' energy: -77.736 flat angles P-C4'-P energy: -36.458 tors. eta vs tors. theta energy: -87.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1038.205413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.205413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.205413 (E_RNA) where: Base-Base interactions energy: -750.006 where: short stacking energy: -304.045 Base-Backbone interact. energy: -0.674 local terms energy: -287.525930 where: bonds (distance) C4'-P energy: -49.705 bonds (distance) P-C4' energy: -67.140 flat angles C4'-P-C4' energy: -66.093 flat angles P-C4'-P energy: -34.649 tors. eta vs tors. theta energy: -69.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -926.757037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.757037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.757037 (E_RNA) where: Base-Base interactions energy: -635.618 where: short stacking energy: -264.662 Base-Backbone interact. energy: -0.260 local terms energy: -290.879430 where: bonds (distance) C4'-P energy: -52.038 bonds (distance) P-C4' energy: -62.779 flat angles C4'-P-C4' energy: -72.632 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -67.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -812.945992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.945992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.945992 (E_RNA) where: Base-Base interactions energy: -544.846 where: short stacking energy: -247.212 Base-Backbone interact. energy: 0.291 local terms energy: -268.390089 where: bonds (distance) C4'-P energy: -58.101 bonds (distance) P-C4' energy: -55.765 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -46.265 tors. eta vs tors. theta energy: -55.730 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: 1 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -654.589653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.589653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.589653 (E_RNA) where: Base-Base interactions energy: -423.302 where: short stacking energy: -211.850 Base-Backbone interact. energy: -0.618 local terms energy: -230.669512 where: bonds (distance) C4'-P energy: -69.344 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -47.992 flat angles P-C4'-P energy: -15.239 tors. eta vs tors. theta energy: -40.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -452.132233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.132233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.132233 (E_RNA) where: Base-Base interactions energy: -258.500 where: short stacking energy: -151.903 Base-Backbone interact. energy: -1.643 local terms energy: -191.988925 where: bonds (distance) C4'-P energy: -42.588 bonds (distance) P-C4' energy: -56.537 flat angles C4'-P-C4' energy: -40.134 flat angles P-C4'-P energy: -39.136 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1334.810623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.810623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.810623 (E_RNA) where: Base-Base interactions energy: -942.588 where: short stacking energy: -397.090 Base-Backbone interact. energy: -1.716 local terms energy: -390.506097 where: bonds (distance) C4'-P energy: -70.872 bonds (distance) P-C4' energy: -68.588 flat angles C4'-P-C4' energy: -79.117 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -113.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1255.330535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.330535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.330535 (E_RNA) where: Base-Base interactions energy: -915.028 where: short stacking energy: -370.212 Base-Backbone interact. energy: 2.949 local terms energy: -343.251583 where: bonds (distance) C4'-P energy: -49.451 bonds (distance) P-C4' energy: -68.473 flat angles C4'-P-C4' energy: -78.231 flat angles P-C4'-P energy: -50.124 tors. eta vs tors. theta energy: -96.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1202.282617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.282617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.282617 (E_RNA) where: Base-Base interactions energy: -834.144 where: short stacking energy: -363.969 Base-Backbone interact. energy: -0.938 local terms energy: -367.200475 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -69.528 flat angles P-C4'-P energy: -60.506 tors. eta vs tors. theta energy: -98.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1124.510675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.510675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.510675 (E_RNA) where: Base-Base interactions energy: -788.414 where: short stacking energy: -312.285 Base-Backbone interact. energy: 1.002 local terms energy: -337.098346 where: bonds (distance) C4'-P energy: -69.121 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -53.080 tors. eta vs tors. theta energy: -81.034 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: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1098.605015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.605015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.605015 (E_RNA) where: Base-Base interactions energy: -765.050 where: short stacking energy: -310.517 Base-Backbone interact. energy: -2.749 local terms energy: -330.805636 where: bonds (distance) C4'-P energy: -56.319 bonds (distance) P-C4' energy: -70.064 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -46.176 tors. eta vs tors. theta energy: -85.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -978.188923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.188923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.188923 (E_RNA) where: Base-Base interactions energy: -664.907 where: short stacking energy: -298.683 Base-Backbone interact. energy: -2.370 local terms energy: -310.911071 where: bonds (distance) C4'-P energy: -54.901 bonds (distance) P-C4' energy: -52.579 flat angles C4'-P-C4' energy: -79.460 flat angles P-C4'-P energy: -44.108 tors. eta vs tors. theta energy: -79.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -860.206257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.206257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.206257 (E_RNA) where: Base-Base interactions energy: -587.913 where: short stacking energy: -273.543 Base-Backbone interact. energy: -1.278 local terms energy: -271.015774 where: bonds (distance) C4'-P energy: -71.424 bonds (distance) P-C4' energy: -38.999 flat angles C4'-P-C4' energy: -60.060 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -57.967 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: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -904.736833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.736833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.736833 (E_RNA) where: Base-Base interactions energy: -634.890 where: short stacking energy: -289.474 Base-Backbone interact. energy: -0.781 local terms energy: -269.065237 where: bonds (distance) C4'-P energy: -56.436 bonds (distance) P-C4' energy: -49.592 flat angles C4'-P-C4' energy: -54.869 flat angles P-C4'-P energy: -36.354 tors. eta vs tors. theta energy: -71.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -653.737901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.737901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.737901 (E_RNA) where: Base-Base interactions energy: -405.479 where: short stacking energy: -204.043 Base-Backbone interact. energy: -0.354 local terms energy: -247.904679 where: bonds (distance) C4'-P energy: -48.133 bonds (distance) P-C4' energy: -59.209 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -35.643 tors. eta vs tors. theta energy: -39.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -438.063464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.063464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.063464 (E_RNA) where: Base-Base interactions energy: -242.269 where: short stacking energy: -124.756 Base-Backbone interact. energy: 0.753 local terms energy: -196.548224 where: bonds (distance) C4'-P energy: -49.474 bonds (distance) P-C4' energy: -59.790 flat angles C4'-P-C4' energy: -38.939 flat angles P-C4'-P energy: -32.968 tors. eta vs tors. theta energy: -15.377 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: 235 Temperature: 0.900000 Total energy: -1333.663663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.663663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.663663 (E_RNA) where: Base-Base interactions energy: -968.803 where: short stacking energy: -409.661 Base-Backbone interact. energy: -1.550 local terms energy: -363.310686 where: bonds (distance) C4'-P energy: -57.441 bonds (distance) P-C4' energy: -62.572 flat angles C4'-P-C4' energy: -74.756 flat angles P-C4'-P energy: -56.766 tors. eta vs tors. theta energy: -111.776 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: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1262.474121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.474121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.474121 (E_RNA) where: Base-Base interactions energy: -924.266 where: short stacking energy: -380.264 Base-Backbone interact. energy: -1.531 local terms energy: -336.676992 where: bonds (distance) C4'-P energy: -58.545 bonds (distance) P-C4' energy: -60.555 flat angles C4'-P-C4' energy: -78.250 flat angles P-C4'-P energy: -42.408 tors. eta vs tors. theta energy: -96.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1212.890717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.890717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.890717 (E_RNA) where: Base-Base interactions energy: -858.060 where: short stacking energy: -379.809 Base-Backbone interact. energy: -0.676 local terms energy: -354.154431 where: bonds (distance) C4'-P energy: -67.948 bonds (distance) P-C4' energy: -53.387 flat angles C4'-P-C4' energy: -75.674 flat angles P-C4'-P energy: -48.296 tors. eta vs tors. theta energy: -108.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1118.926471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.926471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.926471 (E_RNA) where: Base-Base interactions energy: -779.370 where: short stacking energy: -332.593 Base-Backbone interact. energy: -3.629 local terms energy: -335.926857 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -73.277 flat angles C4'-P-C4' energy: -75.818 flat angles P-C4'-P energy: -44.566 tors. eta vs tors. theta energy: -81.515 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: 235 Temperature: 1.100000 Total energy: -1099.478980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.478980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.478980 (E_RNA) where: Base-Base interactions energy: -772.103 where: short stacking energy: -332.952 Base-Backbone interact. energy: -3.845 local terms energy: -323.530984 where: bonds (distance) C4'-P energy: -64.961 bonds (distance) P-C4' energy: -57.340 flat angles C4'-P-C4' energy: -70.923 flat angles P-C4'-P energy: -43.728 tors. eta vs tors. theta energy: -86.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -978.730369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.730369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.730369 (E_RNA) where: Base-Base interactions energy: -663.320 where: short stacking energy: -301.649 Base-Backbone interact. energy: -2.348 local terms energy: -313.062863 where: bonds (distance) C4'-P energy: -56.874 bonds (distance) P-C4' energy: -65.775 flat angles C4'-P-C4' energy: -62.159 flat angles P-C4'-P energy: -45.454 tors. eta vs tors. theta energy: -82.801 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: 10 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -872.488425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.488425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.488425 (E_RNA) where: Base-Base interactions energy: -578.135 where: short stacking energy: -267.093 Base-Backbone interact. energy: 0.386 local terms energy: -294.738534 where: bonds (distance) C4'-P energy: -65.514 bonds (distance) P-C4' energy: -58.119 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -41.101 tors. eta vs tors. theta energy: -63.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -876.634190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.634190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.634190 (E_RNA) where: Base-Base interactions energy: -608.742 where: short stacking energy: -264.810 Base-Backbone interact. energy: -1.564 local terms energy: -266.329005 where: bonds (distance) C4'-P energy: -45.853 bonds (distance) P-C4' energy: -56.433 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: -57.494 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: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -629.741750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.741750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.741750 (E_RNA) where: Base-Base interactions energy: -382.896 where: short stacking energy: -188.361 Base-Backbone interact. energy: -0.209 local terms energy: -246.636718 where: bonds (distance) C4'-P energy: -61.836 bonds (distance) P-C4' energy: -72.799 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -20.087 tors. eta vs tors. theta energy: -31.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -493.362700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.362700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.362700 (E_RNA) where: Base-Base interactions energy: -269.096 where: short stacking energy: -156.827 Base-Backbone interact. energy: -2.123 local terms energy: -222.143384 where: bonds (distance) C4'-P energy: -54.082 bonds (distance) P-C4' energy: -61.194 flat angles C4'-P-C4' energy: -56.054 flat angles P-C4'-P energy: -33.748 tors. eta vs tors. theta energy: -17.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1341.867165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.867165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.867165 (E_RNA) where: Base-Base interactions energy: -940.901 where: short stacking energy: -384.091 Base-Backbone interact. energy: -1.375 local terms energy: -399.591409 where: bonds (distance) C4'-P energy: -71.989 bonds (distance) P-C4' energy: -71.274 flat angles C4'-P-C4' energy: -85.160 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1258.333536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.333536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.333536 (E_RNA) where: Base-Base interactions energy: -918.349 where: short stacking energy: -376.481 Base-Backbone interact. energy: -0.089 local terms energy: -339.895346 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -63.013 flat angles C4'-P-C4' energy: -72.325 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -92.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1214.096388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.096388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.096388 (E_RNA) where: Base-Base interactions energy: -862.054 where: short stacking energy: -368.741 Base-Backbone interact. energy: -0.443 local terms energy: -351.599982 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -61.996 flat angles C4'-P-C4' energy: -82.935 flat angles P-C4'-P energy: -51.246 tors. eta vs tors. theta energy: -101.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1116.218904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.218904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.218904 (E_RNA) where: Base-Base interactions energy: -787.000 where: short stacking energy: -327.421 Base-Backbone interact. energy: -1.591 local terms energy: -327.627058 where: bonds (distance) C4'-P energy: -68.892 bonds (distance) P-C4' energy: -62.720 flat angles C4'-P-C4' energy: -74.341 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -83.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1083.965625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.965625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.965625 (E_RNA) where: Base-Base interactions energy: -769.173 where: short stacking energy: -315.192 Base-Backbone interact. energy: 2.959 local terms energy: -317.751266 where: bonds (distance) C4'-P energy: -51.854 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -73.446 flat angles P-C4'-P energy: -42.599 tors. eta vs tors. theta energy: -84.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -971.005020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.005020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.005020 (E_RNA) where: Base-Base interactions energy: -640.258 where: short stacking energy: -295.687 Base-Backbone interact. energy: -0.744 local terms energy: -330.003257 where: bonds (distance) C4'-P energy: -64.063 bonds (distance) P-C4' energy: -68.427 flat angles C4'-P-C4' energy: -68.359 flat angles P-C4'-P energy: -51.908 tors. eta vs tors. theta energy: -77.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -832.564138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.564138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.564138 (E_RNA) where: Base-Base interactions energy: -564.550 where: short stacking energy: -268.301 Base-Backbone interact. energy: -1.355 local terms energy: -266.658435 where: bonds (distance) C4'-P energy: -54.350 bonds (distance) P-C4' energy: -46.415 flat angles C4'-P-C4' energy: -67.161 flat angles P-C4'-P energy: -40.391 tors. eta vs tors. theta energy: -58.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -874.434236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.434236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.434236 (E_RNA) where: Base-Base interactions energy: -595.861 where: short stacking energy: -231.938 Base-Backbone interact. energy: -2.338 local terms energy: -276.235601 where: bonds (distance) C4'-P energy: -60.182 bonds (distance) P-C4' energy: -60.692 flat angles C4'-P-C4' energy: -65.447 flat angles P-C4'-P energy: -42.349 tors. eta vs tors. theta energy: -47.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -607.572390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.572390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.572390 (E_RNA) where: Base-Base interactions energy: -381.286 where: short stacking energy: -211.237 Base-Backbone interact. energy: -1.207 local terms energy: -225.079420 where: bonds (distance) C4'-P energy: -56.634 bonds (distance) P-C4' energy: -41.839 flat angles C4'-P-C4' energy: -52.885 flat angles P-C4'-P energy: -31.427 tors. eta vs tors. theta energy: -42.295 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: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -489.958081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.958081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.958081 (E_RNA) where: Base-Base interactions energy: -275.398 where: short stacking energy: -138.673 Base-Backbone interact. energy: -1.901 local terms energy: -212.659114 where: bonds (distance) C4'-P energy: -62.849 bonds (distance) P-C4' energy: -54.487 flat angles C4'-P-C4' energy: -51.187 flat angles P-C4'-P energy: -24.403 tors. eta vs tors. theta energy: -19.733 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: 1, replica: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1336.419437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.419437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.419437 (E_RNA) where: Base-Base interactions energy: -939.446 where: short stacking energy: -386.522 Base-Backbone interact. energy: -1.548 local terms energy: -395.424935 where: bonds (distance) C4'-P energy: -68.684 bonds (distance) P-C4' energy: -69.346 flat angles C4'-P-C4' energy: -83.813 flat angles P-C4'-P energy: -60.629 tors. eta vs tors. theta energy: -112.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1264.062747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.062747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.062747 (E_RNA) where: Base-Base interactions energy: -904.163 where: short stacking energy: -366.536 Base-Backbone interact. energy: 0.724 local terms energy: -360.623530 where: bonds (distance) C4'-P energy: -69.489 bonds (distance) P-C4' energy: -69.831 flat angles C4'-P-C4' energy: -74.894 flat angles P-C4'-P energy: -51.992 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1213.992794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.992794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.992794 (E_RNA) where: Base-Base interactions energy: -859.709 where: short stacking energy: -360.138 Base-Backbone interact. energy: -3.720 local terms energy: -350.563570 where: bonds (distance) C4'-P energy: -55.258 bonds (distance) P-C4' energy: -72.217 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -47.355 tors. eta vs tors. theta energy: -109.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1092.171115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.171115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.171115 (E_RNA) where: Base-Base interactions energy: -761.200 where: short stacking energy: -325.210 Base-Backbone interact. energy: -0.511 local terms energy: -330.459566 where: bonds (distance) C4'-P energy: -55.191 bonds (distance) P-C4' energy: -67.585 flat angles C4'-P-C4' energy: -78.725 flat angles P-C4'-P energy: -46.195 tors. eta vs tors. theta energy: -82.765 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: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1088.451425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.451425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.451425 (E_RNA) where: Base-Base interactions energy: -790.307 where: short stacking energy: -300.553 Base-Backbone interact. energy: -2.405 local terms energy: -295.739508 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -59.976 flat angles C4'-P-C4' energy: -72.132 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -65.324 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: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -989.585709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.585709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.585709 (E_RNA) where: Base-Base interactions energy: -679.565 where: short stacking energy: -314.209 Base-Backbone interact. energy: 4.749 local terms energy: -314.769887 where: bonds (distance) C4'-P energy: -62.223 bonds (distance) P-C4' energy: -62.208 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -82.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -858.526966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.526966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.526966 (E_RNA) where: Base-Base interactions energy: -590.835 where: short stacking energy: -245.827 Base-Backbone interact. energy: -0.373 local terms energy: -267.318934 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -68.747 flat angles C4'-P-C4' energy: -67.205 flat angles P-C4'-P energy: -19.875 tors. eta vs tors. theta energy: -55.612 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: 5 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -849.483431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.483431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.483431 (E_RNA) where: Base-Base interactions energy: -568.081 where: short stacking energy: -245.694 Base-Backbone interact. energy: -1.729 local terms energy: -279.672868 where: bonds (distance) C4'-P energy: -56.833 bonds (distance) P-C4' energy: -68.916 flat angles C4'-P-C4' energy: -57.145 flat angles P-C4'-P energy: -46.053 tors. eta vs tors. theta energy: -50.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -595.948603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.948603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.948603 (E_RNA) where: Base-Base interactions energy: -359.906 where: short stacking energy: -179.097 Base-Backbone interact. energy: 1.865 local terms energy: -237.907385 where: bonds (distance) C4'-P energy: -59.960 bonds (distance) P-C4' energy: -53.309 flat angles C4'-P-C4' energy: -62.214 flat angles P-C4'-P energy: -36.319 tors. eta vs tors. theta energy: -26.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -413.763795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.763795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.763795 (E_RNA) where: Base-Base interactions energy: -200.776 where: short stacking energy: -117.989 Base-Backbone interact. energy: 2.634 local terms energy: -215.622066 where: bonds (distance) C4'-P energy: -57.740 bonds (distance) P-C4' energy: -60.540 flat angles C4'-P-C4' energy: -53.246 flat angles P-C4'-P energy: -34.011 tors. eta vs tors. theta energy: -10.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1335.203706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.203706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.203706 (E_RNA) where: Base-Base interactions energy: -950.650 where: short stacking energy: -400.705 Base-Backbone interact. energy: 1.367 local terms energy: -385.920585 where: bonds (distance) C4'-P energy: -58.317 bonds (distance) P-C4' energy: -62.835 flat angles C4'-P-C4' energy: -85.465 flat angles P-C4'-P energy: -59.329 tors. eta vs tors. theta energy: -119.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1260.423906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.423906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.423906 (E_RNA) where: Base-Base interactions energy: -909.390 where: short stacking energy: -361.807 Base-Backbone interact. energy: 1.875 local terms energy: -352.908517 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -66.809 flat angles C4'-P-C4' energy: -75.598 flat angles P-C4'-P energy: -55.945 tors. eta vs tors. theta energy: -93.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1205.057178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.057178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.057178 (E_RNA) where: Base-Base interactions energy: -850.211 where: short stacking energy: -364.729 Base-Backbone interact. energy: -1.926 local terms energy: -352.919528 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -64.155 flat angles C4'-P-C4' energy: -82.624 flat angles P-C4'-P energy: -48.378 tors. eta vs tors. theta energy: -93.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1110.755295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.755295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.755295 (E_RNA) where: Base-Base interactions energy: -773.808 where: short stacking energy: -325.950 Base-Backbone interact. energy: 1.061 local terms energy: -338.008902 where: bonds (distance) C4'-P energy: -52.654 bonds (distance) P-C4' energy: -67.067 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -55.441 tors. eta vs tors. theta energy: -86.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1083.492024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.492024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.492024 (E_RNA) where: Base-Base interactions energy: -777.791 where: short stacking energy: -290.077 Base-Backbone interact. energy: -0.749 local terms energy: -304.952337 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -57.610 flat angles P-C4'-P energy: -42.372 tors. eta vs tors. theta energy: -76.442 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: 3 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1028.837627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.837627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.837627 (E_RNA) where: Base-Base interactions energy: -719.075 where: short stacking energy: -312.700 Base-Backbone interact. energy: -1.366 local terms energy: -308.396547 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -63.547 flat angles P-C4'-P energy: -43.028 tors. eta vs tors. theta energy: -85.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -907.457538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.457538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.457538 (E_RNA) where: Base-Base interactions energy: -617.691 where: short stacking energy: -269.051 Base-Backbone interact. energy: -0.423 local terms energy: -289.343179 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -64.757 flat angles C4'-P-C4' energy: -59.472 flat angles P-C4'-P energy: -44.246 tors. eta vs tors. theta energy: -50.777 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: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -781.965887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.965887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.965887 (E_RNA) where: Base-Base interactions energy: -507.779 where: short stacking energy: -227.935 Base-Backbone interact. energy: -0.256 local terms energy: -273.930812 where: bonds (distance) C4'-P energy: -61.922 bonds (distance) P-C4' energy: -65.173 flat angles C4'-P-C4' energy: -55.341 flat angles P-C4'-P energy: -41.296 tors. eta vs tors. theta energy: -50.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -653.848698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.848698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.848698 (E_RNA) where: Base-Base interactions energy: -406.761 where: short stacking energy: -191.257 Base-Backbone interact. energy: -1.474 local terms energy: -245.613070 where: bonds (distance) C4'-P energy: -58.019 bonds (distance) P-C4' energy: -56.229 flat angles C4'-P-C4' energy: -71.716 flat angles P-C4'-P energy: -26.187 tors. eta vs tors. theta energy: -33.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -404.075633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.075633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.075633 (E_RNA) where: Base-Base interactions energy: -193.199 where: short stacking energy: -99.720 Base-Backbone interact. energy: -0.183 local terms energy: -210.693908 where: bonds (distance) C4'-P energy: -50.491 bonds (distance) P-C4' energy: -60.389 flat angles C4'-P-C4' energy: -55.857 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: 2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1336.176211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.176211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.176211 (E_RNA) where: Base-Base interactions energy: -939.293 where: short stacking energy: -392.237 Base-Backbone interact. energy: 0.859 local terms energy: -397.741906 where: bonds (distance) C4'-P energy: -73.437 bonds (distance) P-C4' energy: -75.116 flat angles C4'-P-C4' energy: -82.846 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -115.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1265.094696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.094696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.094696 (E_RNA) where: Base-Base interactions energy: -912.094 where: short stacking energy: -378.236 Base-Backbone interact. energy: -1.480 local terms energy: -351.520701 where: bonds (distance) C4'-P energy: -66.296 bonds (distance) P-C4' energy: -59.634 flat angles C4'-P-C4' energy: -76.522 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -94.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1241.795558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.795558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.795558 (E_RNA) where: Base-Base interactions energy: -863.888 where: short stacking energy: -383.084 Base-Backbone interact. energy: 1.314 local terms energy: -379.221554 where: bonds (distance) C4'-P energy: -65.758 bonds (distance) P-C4' energy: -75.582 flat angles C4'-P-C4' energy: -77.260 flat angles P-C4'-P energy: -53.741 tors. eta vs tors. theta energy: -106.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1084.626657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.626657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.626657 (E_RNA) where: Base-Base interactions energy: -748.147 where: short stacking energy: -311.867 Base-Backbone interact. energy: -2.625 local terms energy: -333.854714 where: bonds (distance) C4'-P energy: -67.734 bonds (distance) P-C4' energy: -72.818 flat angles C4'-P-C4' energy: -75.950 flat angles P-C4'-P energy: -40.812 tors. eta vs tors. theta energy: -76.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1116.666653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.666653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.666653 (E_RNA) where: Base-Base interactions energy: -784.975 where: short stacking energy: -313.814 Base-Backbone interact. energy: -2.885 local terms energy: -328.806952 where: bonds (distance) C4'-P energy: -60.044 bonds (distance) P-C4' energy: -67.001 flat angles C4'-P-C4' energy: -75.136 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: -73.446 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: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -942.323625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.323625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.323625 (E_RNA) where: Base-Base interactions energy: -639.617 where: short stacking energy: -285.542 Base-Backbone interact. energy: -0.610 local terms energy: -302.096437 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -61.234 flat angles C4'-P-C4' energy: -69.464 flat angles P-C4'-P energy: -41.131 tors. eta vs tors. theta energy: -64.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -961.673098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.673098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.673098 (E_RNA) where: Base-Base interactions energy: -687.409 where: short stacking energy: -276.299 Base-Backbone interact. energy: -1.143 local terms energy: -273.120694 where: bonds (distance) C4'-P energy: -55.710 bonds (distance) P-C4' energy: -65.992 flat angles C4'-P-C4' energy: -63.056 flat angles P-C4'-P energy: -25.408 tors. eta vs tors. theta energy: -62.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -828.611015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.611015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.611015 (E_RNA) where: Base-Base interactions energy: -550.539 where: short stacking energy: -244.622 Base-Backbone interact. energy: -2.676 local terms energy: -275.395964 where: bonds (distance) C4'-P energy: -46.952 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -42.187 tors. eta vs tors. theta energy: -57.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -669.771700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.771700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.771700 (E_RNA) where: Base-Base interactions energy: -447.808 where: short stacking energy: -206.816 Base-Backbone interact. energy: -1.583 local terms energy: -220.380297 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -53.158 flat angles C4'-P-C4' energy: -48.084 flat angles P-C4'-P energy: -23.614 tors. eta vs tors. theta energy: -39.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -434.970668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.970668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.970668 (E_RNA) where: Base-Base interactions energy: -240.999 where: short stacking energy: -123.410 Base-Backbone interact. energy: -1.979 local terms energy: -191.993067 where: bonds (distance) C4'-P energy: -42.031 bonds (distance) P-C4' energy: -58.771 flat angles C4'-P-C4' energy: -62.031 flat angles P-C4'-P energy: -30.096 tors. eta vs tors. theta energy: 0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1329.690783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.690783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.690783 (E_RNA) where: Base-Base interactions energy: -947.780 where: short stacking energy: -402.873 Base-Backbone interact. energy: 1.105 local terms energy: -383.015980 where: bonds (distance) C4'-P energy: -76.591 bonds (distance) P-C4' energy: -64.649 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -118.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1262.090115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.090115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.090115 (E_RNA) where: Base-Base interactions energy: -906.617 where: short stacking energy: -370.461 Base-Backbone interact. energy: -1.165 local terms energy: -354.307944 where: bonds (distance) C4'-P energy: -63.442 bonds (distance) P-C4' energy: -59.493 flat angles C4'-P-C4' energy: -78.774 flat angles P-C4'-P energy: -53.331 tors. eta vs tors. theta energy: -99.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1223.612502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.612502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.612502 (E_RNA) where: Base-Base interactions energy: -851.856 where: short stacking energy: -377.889 Base-Backbone interact. energy: -2.229 local terms energy: -369.528034 where: bonds (distance) C4'-P energy: -66.271 bonds (distance) P-C4' energy: -63.113 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -57.433 tors. eta vs tors. theta energy: -106.614 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: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1102.294655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.294655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.294655 (E_RNA) where: Base-Base interactions energy: -761.038 where: short stacking energy: -315.981 Base-Backbone interact. energy: -3.767 local terms energy: -337.489379 where: bonds (distance) C4'-P energy: -65.625 bonds (distance) P-C4' energy: -70.968 flat angles C4'-P-C4' energy: -71.063 flat angles P-C4'-P energy: -49.629 tors. eta vs tors. theta energy: -80.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1093.809697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.809697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.809697 (E_RNA) where: Base-Base interactions energy: -782.643 where: short stacking energy: -314.590 Base-Backbone interact. energy: 0.867 local terms energy: -312.033473 where: bonds (distance) C4'-P energy: -57.441 bonds (distance) P-C4' energy: -72.150 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -72.626 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -934.058934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.058934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.058934 (E_RNA) where: Base-Base interactions energy: -621.253 where: short stacking energy: -261.177 Base-Backbone interact. energy: -0.952 local terms energy: -311.853774 where: bonds (distance) C4'-P energy: -63.441 bonds (distance) P-C4' energy: -60.065 flat angles C4'-P-C4' energy: -72.273 flat angles P-C4'-P energy: -44.820 tors. eta vs tors. theta energy: -71.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -933.096373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.096373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.096373 (E_RNA) where: Base-Base interactions energy: -648.630 where: short stacking energy: -277.504 Base-Backbone interact. energy: 1.804 local terms energy: -286.270592 where: bonds (distance) C4'-P energy: -63.861 bonds (distance) P-C4' energy: -51.839 flat angles C4'-P-C4' energy: -70.167 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -60.353 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: 10 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -811.943226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.943226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.943226 (E_RNA) where: Base-Base interactions energy: -538.781 where: short stacking energy: -238.283 Base-Backbone interact. energy: 0.477 local terms energy: -273.638965 where: bonds (distance) C4'-P energy: -52.063 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -66.276 flat angles P-C4'-P energy: -39.983 tors. eta vs tors. theta energy: -55.240 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -702.629102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.629102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.629102 (E_RNA) where: Base-Base interactions energy: -437.933 where: short stacking energy: -204.087 Base-Backbone interact. energy: 2.393 local terms energy: -267.089312 where: bonds (distance) C4'-P energy: -54.523 bonds (distance) P-C4' energy: -72.895 flat angles C4'-P-C4' energy: -59.308 flat angles P-C4'-P energy: -36.066 tors. eta vs tors. theta energy: -44.297 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: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -409.651606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.651606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.651606 (E_RNA) where: Base-Base interactions energy: -208.732 where: short stacking energy: -124.871 Base-Backbone interact. energy: 0.969 local terms energy: -201.888511 where: bonds (distance) C4'-P energy: -44.350 bonds (distance) P-C4' energy: -62.738 flat angles C4'-P-C4' energy: -50.312 flat angles P-C4'-P energy: -34.910 tors. eta vs tors. theta energy: -9.579 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: 241 Temperature: 0.900000 Total energy: -1339.823324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.823324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.823324 (E_RNA) where: Base-Base interactions energy: -945.489 where: short stacking energy: -407.695 Base-Backbone interact. energy: -0.236 local terms energy: -394.097553 where: bonds (distance) C4'-P energy: -70.035 bonds (distance) P-C4' energy: -70.184 flat angles C4'-P-C4' energy: -81.423 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -118.046 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: 7 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1281.491472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.491472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.491472 (E_RNA) where: Base-Base interactions energy: -909.328 where: short stacking energy: -369.755 Base-Backbone interact. energy: -2.043 local terms energy: -370.119817 where: bonds (distance) C4'-P energy: -68.015 bonds (distance) P-C4' energy: -70.916 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -56.423 tors. eta vs tors. theta energy: -102.287 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: 241 Temperature: 1.000000 Total energy: -1214.596520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.596520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.596520 (E_RNA) where: Base-Base interactions energy: -849.210 where: short stacking energy: -360.152 Base-Backbone interact. energy: -0.918 local terms energy: -364.468580 where: bonds (distance) C4'-P energy: -65.079 bonds (distance) P-C4' energy: -61.548 flat angles C4'-P-C4' energy: -84.168 flat angles P-C4'-P energy: -57.386 tors. eta vs tors. theta energy: -96.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1100.924560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.924560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.924560 (E_RNA) where: Base-Base interactions energy: -763.305 where: short stacking energy: -314.536 Base-Backbone interact. energy: -3.397 local terms energy: -334.222381 where: bonds (distance) C4'-P energy: -58.818 bonds (distance) P-C4' energy: -65.159 flat angles C4'-P-C4' energy: -81.809 flat angles P-C4'-P energy: -51.646 tors. eta vs tors. theta energy: -76.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1099.922236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.922236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.922236 (E_RNA) where: Base-Base interactions energy: -787.550 where: short stacking energy: -315.287 Base-Backbone interact. energy: -4.186 local terms energy: -308.186202 where: bonds (distance) C4'-P energy: -67.735 bonds (distance) P-C4' energy: -60.169 flat angles C4'-P-C4' energy: -58.014 flat angles P-C4'-P energy: -43.651 tors. eta vs tors. theta energy: -78.616 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: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -943.697779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.697779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.697779 (E_RNA) where: Base-Base interactions energy: -670.547 where: short stacking energy: -284.292 Base-Backbone interact. energy: 0.777 local terms energy: -273.927736 where: bonds (distance) C4'-P energy: -58.221 bonds (distance) P-C4' energy: -44.914 flat angles C4'-P-C4' energy: -58.378 flat angles P-C4'-P energy: -47.364 tors. eta vs tors. theta energy: -65.051 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: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -921.745062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.745062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.745062 (E_RNA) where: Base-Base interactions energy: -625.181 where: short stacking energy: -268.874 Base-Backbone interact. energy: 0.771 local terms energy: -297.335604 where: bonds (distance) C4'-P energy: -42.226 bonds (distance) P-C4' energy: -76.853 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -46.266 tors. eta vs tors. theta energy: -58.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -763.696770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.696770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.696770 (E_RNA) where: Base-Base interactions energy: -530.077 where: short stacking energy: -243.099 Base-Backbone interact. energy: 1.801 local terms energy: -235.420546 where: bonds (distance) C4'-P energy: -54.785 bonds (distance) P-C4' energy: -49.154 flat angles C4'-P-C4' energy: -58.847 flat angles P-C4'-P energy: -15.504 tors. eta vs tors. theta energy: -57.131 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: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -694.574620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.574620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.574620 (E_RNA) where: Base-Base interactions energy: -466.534 where: short stacking energy: -228.600 Base-Backbone interact. energy: -1.627 local terms energy: -226.413485 where: bonds (distance) C4'-P energy: -52.649 bonds (distance) P-C4' energy: -47.388 flat angles C4'-P-C4' energy: -59.699 flat angles P-C4'-P energy: -25.699 tors. eta vs tors. theta energy: -40.979 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: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -395.668132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.668132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.668132 (E_RNA) where: Base-Base interactions energy: -196.519 where: short stacking energy: -114.144 Base-Backbone interact. energy: 2.436 local terms energy: -201.585639 where: bonds (distance) C4'-P energy: -56.801 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -60.513 flat angles P-C4'-P energy: -16.480 tors. eta vs tors. theta energy: 1.041 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: 242 Temperature: 0.900000 Total energy: -1353.375702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.375702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.375702 (E_RNA) where: Base-Base interactions energy: -960.279 where: short stacking energy: -408.250 Base-Backbone interact. energy: 0.257 local terms energy: -393.353535 where: bonds (distance) C4'-P energy: -69.480 bonds (distance) P-C4' energy: -61.626 flat angles C4'-P-C4' energy: -87.176 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: -118.079 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1281.346210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.346210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.346210 (E_RNA) where: Base-Base interactions energy: -918.050 where: short stacking energy: -367.272 Base-Backbone interact. energy: -1.484 local terms energy: -361.812034 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -73.981 flat angles C4'-P-C4' energy: -74.869 flat angles P-C4'-P energy: -47.910 tors. eta vs tors. theta energy: -94.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1212.404045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.404045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.404045 (E_RNA) where: Base-Base interactions energy: -848.995 where: short stacking energy: -361.051 Base-Backbone interact. energy: -1.557 local terms energy: -361.851786 where: bonds (distance) C4'-P energy: -71.891 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -74.269 flat angles P-C4'-P energy: -57.008 tors. eta vs tors. theta energy: -100.504 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: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1094.412216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.412216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.412216 (E_RNA) where: Base-Base interactions energy: -756.295 where: short stacking energy: -327.309 Base-Backbone interact. energy: 1.310 local terms energy: -339.426834 where: bonds (distance) C4'-P energy: -68.310 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -77.255 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -90.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1120.595701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.595701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.595701 (E_RNA) where: Base-Base interactions energy: -781.401 where: short stacking energy: -306.060 Base-Backbone interact. energy: -3.395 local terms energy: -335.799433 where: bonds (distance) C4'-P energy: -66.583 bonds (distance) P-C4' energy: -62.387 flat angles C4'-P-C4' energy: -73.472 flat angles P-C4'-P energy: -48.684 tors. eta vs tors. theta energy: -84.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -955.024521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.024521 (E_RNA) where: Base-Base interactions energy: -648.936 where: short stacking energy: -302.673 Base-Backbone interact. energy: -1.218 local terms energy: -304.870106 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -57.838 flat angles C4'-P-C4' energy: -66.144 flat angles P-C4'-P energy: -40.010 tors. eta vs tors. theta energy: -77.817 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: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -882.812137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.812137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.812137 (E_RNA) where: Base-Base interactions energy: -615.911 where: short stacking energy: -257.557 Base-Backbone interact. energy: -0.466 local terms energy: -266.435631 where: bonds (distance) C4'-P energy: -50.578 bonds (distance) P-C4' energy: -54.248 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -43.843 tors. eta vs tors. theta energy: -50.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -767.896225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.896225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.896225 (E_RNA) where: Base-Base interactions energy: -503.487 where: short stacking energy: -218.544 Base-Backbone interact. energy: 1.272 local terms energy: -265.680748 where: bonds (distance) C4'-P energy: -72.165 bonds (distance) P-C4' energy: -60.880 flat angles C4'-P-C4' energy: -50.883 flat angles P-C4'-P energy: -38.208 tors. eta vs tors. theta energy: -43.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -690.009159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.009159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.009159 (E_RNA) where: Base-Base interactions energy: -437.209 where: short stacking energy: -198.219 Base-Backbone interact. energy: 2.794 local terms energy: -255.593581 where: bonds (distance) C4'-P energy: -51.197 bonds (distance) P-C4' energy: -62.520 flat angles C4'-P-C4' energy: -61.408 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -42.642 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: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -441.671234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.671234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.671234 (E_RNA) where: Base-Base interactions energy: -210.058 where: short stacking energy: -133.669 Base-Backbone interact. energy: -0.954 local terms energy: -230.660101 where: bonds (distance) C4'-P energy: -60.977 bonds (distance) P-C4' energy: -45.700 flat angles C4'-P-C4' energy: -61.593 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: -20.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1365.243049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.243049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.243049 (E_RNA) where: Base-Base interactions energy: -966.325 where: short stacking energy: -406.313 Base-Backbone interact. energy: 0.878 local terms energy: -399.795402 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -69.276 flat angles C4'-P-C4' energy: -75.170 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -116.812 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: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1236.031947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.031947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.031947 (E_RNA) where: Base-Base interactions energy: -858.134 where: short stacking energy: -364.061 Base-Backbone interact. energy: -1.003 local terms energy: -376.894971 where: bonds (distance) C4'-P energy: -69.467 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -86.415 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: -94.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1237.459098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.459098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.459098 (E_RNA) where: Base-Base interactions energy: -881.712 where: short stacking energy: -358.768 Base-Backbone interact. energy: 0.453 local terms energy: -356.199783 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -74.636 flat angles C4'-P-C4' energy: -76.299 flat angles P-C4'-P energy: -51.859 tors. eta vs tors. theta energy: -90.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1082.606748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.606748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.606748 (E_RNA) where: Base-Base interactions energy: -740.300 where: short stacking energy: -309.136 Base-Backbone interact. energy: -0.838 local terms energy: -341.469325 where: bonds (distance) C4'-P energy: -70.660 bonds (distance) P-C4' energy: -70.896 flat angles C4'-P-C4' energy: -70.114 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -83.908 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: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1092.952047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.952047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.952047 (E_RNA) where: Base-Base interactions energy: -775.760 where: short stacking energy: -322.431 Base-Backbone interact. energy: -0.351 local terms energy: -316.840554 where: bonds (distance) C4'-P energy: -63.764 bonds (distance) P-C4' energy: -64.037 flat angles C4'-P-C4' energy: -66.154 flat angles P-C4'-P energy: -44.034 tors. eta vs tors. theta energy: -78.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -964.015603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.015603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.015603 (E_RNA) where: Base-Base interactions energy: -646.486 where: short stacking energy: -298.652 Base-Backbone interact. energy: 4.054 local terms energy: -321.583291 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -59.979 flat angles C4'-P-C4' energy: -75.786 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: -71.211 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: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -883.633741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.633741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.633741 (E_RNA) where: Base-Base interactions energy: -610.755 where: short stacking energy: -286.184 Base-Backbone interact. energy: -0.172 local terms energy: -272.706052 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -54.947 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -39.910 tors. eta vs tors. theta energy: -66.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -745.012116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.012116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.012116 (E_RNA) where: Base-Base interactions energy: -513.668 where: short stacking energy: -235.599 Base-Backbone interact. energy: 1.370 local terms energy: -232.714709 where: bonds (distance) C4'-P energy: -43.922 bonds (distance) P-C4' energy: -59.796 flat angles C4'-P-C4' energy: -62.389 flat angles P-C4'-P energy: -24.961 tors. eta vs tors. theta energy: -41.647 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: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -681.195802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.195802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.195802 (E_RNA) where: Base-Base interactions energy: -433.478 where: short stacking energy: -195.157 Base-Backbone interact. energy: 0.459 local terms energy: -248.176945 where: bonds (distance) C4'-P energy: -60.564 bonds (distance) P-C4' energy: -54.878 flat angles C4'-P-C4' energy: -61.448 flat angles P-C4'-P energy: -32.364 tors. eta vs tors. theta energy: -38.922 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: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -389.017015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.017015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.017015 (E_RNA) where: Base-Base interactions energy: -194.144 where: short stacking energy: -121.960 Base-Backbone interact. energy: 4.621 local terms energy: -199.493697 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -61.512 flat angles C4'-P-C4' energy: -25.862 flat angles P-C4'-P energy: -28.822 tors. eta vs tors. theta energy: -15.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1334.596166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.596166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.596166 (E_RNA) where: Base-Base interactions energy: -949.280 where: short stacking energy: -387.090 Base-Backbone interact. energy: -1.345 local terms energy: -383.970999 where: bonds (distance) C4'-P energy: -69.960 bonds (distance) P-C4' energy: -68.575 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -57.145 tors. eta vs tors. theta energy: -112.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1241.195796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.195796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.195796 (E_RNA) where: Base-Base interactions energy: -864.134 where: short stacking energy: -354.899 Base-Backbone interact. energy: -2.502 local terms energy: -374.560152 where: bonds (distance) C4'-P energy: -67.575 bonds (distance) P-C4' energy: -69.924 flat angles C4'-P-C4' energy: -79.986 flat angles P-C4'-P energy: -58.431 tors. eta vs tors. theta energy: -98.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1254.344335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.344335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.344335 (E_RNA) where: Base-Base interactions energy: -902.303 where: short stacking energy: -360.280 Base-Backbone interact. energy: -2.023 local terms energy: -350.018363 where: bonds (distance) C4'-P energy: -62.039 bonds (distance) P-C4' energy: -62.234 flat angles C4'-P-C4' energy: -77.783 flat angles P-C4'-P energy: -50.347 tors. eta vs tors. theta energy: -97.615 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: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1070.894440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.894440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.894440 (E_RNA) where: Base-Base interactions energy: -755.176 where: short stacking energy: -317.260 Base-Backbone interact. energy: -1.851 local terms energy: -313.866937 where: bonds (distance) C4'-P energy: -56.493 bonds (distance) P-C4' energy: -57.580 flat angles C4'-P-C4' energy: -70.959 flat angles P-C4'-P energy: -52.357 tors. eta vs tors. theta energy: -76.479 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: 244 Temperature: 1.100000 Total energy: -1111.782118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.782118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.782118 (E_RNA) where: Base-Base interactions energy: -770.212 where: short stacking energy: -326.349 Base-Backbone interact. energy: -0.254 local terms energy: -341.315179 where: bonds (distance) C4'-P energy: -60.996 bonds (distance) P-C4' energy: -69.122 flat angles C4'-P-C4' energy: -74.767 flat angles P-C4'-P energy: -53.525 tors. eta vs tors. theta energy: -82.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -962.404134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.404134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.404134 (E_RNA) where: Base-Base interactions energy: -644.039 where: short stacking energy: -291.238 Base-Backbone interact. energy: -0.686 local terms energy: -317.679018 where: bonds (distance) C4'-P energy: -66.582 bonds (distance) P-C4' energy: -67.141 flat angles C4'-P-C4' energy: -69.622 flat angles P-C4'-P energy: -36.317 tors. eta vs tors. theta energy: -78.018 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: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -915.537586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.537586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.537586 (E_RNA) where: Base-Base interactions energy: -646.860 where: short stacking energy: -270.747 Base-Backbone interact. energy: 3.143 local terms energy: -271.820718 where: bonds (distance) C4'-P energy: -59.689 bonds (distance) P-C4' energy: -54.186 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -39.242 tors. eta vs tors. theta energy: -53.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -759.202916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.202916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.202916 (E_RNA) where: Base-Base interactions energy: -490.730 where: short stacking energy: -226.208 Base-Backbone interact. energy: -1.102 local terms energy: -267.370926 where: bonds (distance) C4'-P energy: -53.638 bonds (distance) P-C4' energy: -66.814 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -42.491 tors. eta vs tors. theta energy: -48.160 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: 244 Temperature: 1.300000 Total energy: -654.792984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.792984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.792984 (E_RNA) where: Base-Base interactions energy: -415.301 where: short stacking energy: -200.609 Base-Backbone interact. energy: -0.501 local terms energy: -238.991229 where: bonds (distance) C4'-P energy: -41.736 bonds (distance) P-C4' energy: -65.207 flat angles C4'-P-C4' energy: -66.918 flat angles P-C4'-P energy: -31.328 tors. eta vs tors. theta energy: -33.802 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: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -469.630965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.630965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.630965 (E_RNA) where: Base-Base interactions energy: -246.736 where: short stacking energy: -158.805 Base-Backbone interact. energy: 2.892 local terms energy: -225.786675 where: bonds (distance) C4'-P energy: -53.284 bonds (distance) P-C4' energy: -63.760 flat angles C4'-P-C4' energy: -51.426 flat angles P-C4'-P energy: -30.498 tors. eta vs tors. theta energy: -26.818 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: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1343.193400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.193400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.193400 (E_RNA) where: Base-Base interactions energy: -957.683 where: short stacking energy: -400.129 Base-Backbone interact. energy: -1.632 local terms energy: -383.878258 where: bonds (distance) C4'-P energy: -62.675 bonds (distance) P-C4' energy: -68.865 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -60.382 tors. eta vs tors. theta energy: -115.298 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: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1284.826140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.826140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.826140 (E_RNA) where: Base-Base interactions energy: -923.882 where: short stacking energy: -384.472 Base-Backbone interact. energy: 3.483 local terms energy: -364.427586 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -78.944 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -49.332 tors. eta vs tors. theta energy: -100.846 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: 9 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1204.140932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.140932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.140932 (E_RNA) where: Base-Base interactions energy: -838.850 where: short stacking energy: -337.125 Base-Backbone interact. energy: -0.460 local terms energy: -364.831445 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -76.878 flat angles P-C4'-P energy: -49.312 tors. eta vs tors. theta energy: -101.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1090.427582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.427582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.427582 (E_RNA) where: Base-Base interactions energy: -774.037 where: short stacking energy: -334.126 Base-Backbone interact. energy: 0.235 local terms energy: -316.625666 where: bonds (distance) C4'-P energy: -47.537 bonds (distance) P-C4' energy: -67.828 flat angles C4'-P-C4' energy: -72.073 flat angles P-C4'-P energy: -48.623 tors. eta vs tors. theta energy: -80.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1082.942066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.942066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.942066 (E_RNA) where: Base-Base interactions energy: -751.670 where: short stacking energy: -311.539 Base-Backbone interact. energy: 0.098 local terms energy: -331.369751 where: bonds (distance) C4'-P energy: -68.114 bonds (distance) P-C4' energy: -68.730 flat angles C4'-P-C4' energy: -73.174 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -73.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -949.643793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.643793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.643793 (E_RNA) where: Base-Base interactions energy: -649.733 where: short stacking energy: -274.110 Base-Backbone interact. energy: -0.952 local terms energy: -298.959708 where: bonds (distance) C4'-P energy: -58.585 bonds (distance) P-C4' energy: -65.412 flat angles C4'-P-C4' energy: -72.868 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -63.909 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: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -893.164266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.164266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.164266 (E_RNA) where: Base-Base interactions energy: -615.238 where: short stacking energy: -247.775 Base-Backbone interact. energy: 0.827 local terms energy: -278.753598 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -52.330 flat angles C4'-P-C4' energy: -61.346 flat angles P-C4'-P energy: -43.384 tors. eta vs tors. theta energy: -59.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -725.629840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.629840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.629840 (E_RNA) where: Base-Base interactions energy: -472.436 where: short stacking energy: -232.030 Base-Backbone interact. energy: -1.718 local terms energy: -251.475859 where: bonds (distance) C4'-P energy: -46.974 bonds (distance) P-C4' energy: -54.488 flat angles C4'-P-C4' energy: -61.903 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -48.725 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: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -684.766420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.766420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.766420 (E_RNA) where: Base-Base interactions energy: -431.765 where: short stacking energy: -197.705 Base-Backbone interact. energy: 1.049 local terms energy: -254.050649 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -58.785 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -29.533 tors. eta vs tors. theta energy: -45.091 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: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -403.151863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.151863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.151863 (E_RNA) where: Base-Base interactions energy: -211.453 where: short stacking energy: -124.729 Base-Backbone interact. energy: -0.253 local terms energy: -191.445547 where: bonds (distance) C4'-P energy: -52.298 bonds (distance) P-C4' energy: -52.272 flat angles C4'-P-C4' energy: -57.916 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: 2.509 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: 246 Temperature: 0.900000 Total energy: -1334.541962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.541962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.541962 (E_RNA) where: Base-Base interactions energy: -948.353 where: short stacking energy: -408.161 Base-Backbone interact. energy: -1.349 local terms energy: -384.840282 where: bonds (distance) C4'-P energy: -66.312 bonds (distance) P-C4' energy: -77.096 flat angles C4'-P-C4' energy: -74.637 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -114.008 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: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1269.695429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.695429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.695429 (E_RNA) where: Base-Base interactions energy: -890.270 where: short stacking energy: -361.993 Base-Backbone interact. energy: -2.560 local terms energy: -376.865952 where: bonds (distance) C4'-P energy: -73.262 bonds (distance) P-C4' energy: -69.739 flat angles C4'-P-C4' energy: -84.891 flat angles P-C4'-P energy: -53.346 tors. eta vs tors. theta energy: -95.627 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: 3, replica: 9 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1224.562844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.562844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.562844 (E_RNA) where: Base-Base interactions energy: -861.556 where: short stacking energy: -374.502 Base-Backbone interact. energy: -1.022 local terms energy: -361.984878 where: bonds (distance) C4'-P energy: -69.417 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -73.042 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -109.977 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1110.737091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.737091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.737091 (E_RNA) where: Base-Base interactions energy: -773.713 where: short stacking energy: -305.603 Base-Backbone interact. energy: -0.295 local terms energy: -336.728512 where: bonds (distance) C4'-P energy: -69.316 bonds (distance) P-C4' energy: -69.389 flat angles C4'-P-C4' energy: -66.869 flat angles P-C4'-P energy: -57.414 tors. eta vs tors. theta energy: -73.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1066.394533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.394533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.394533 (E_RNA) where: Base-Base interactions energy: -719.529 where: short stacking energy: -295.079 Base-Backbone interact. energy: -0.542 local terms energy: -346.323666 where: bonds (distance) C4'-P energy: -72.357 bonds (distance) P-C4' energy: -69.339 flat angles C4'-P-C4' energy: -75.663 flat angles P-C4'-P energy: -45.819 tors. eta vs tors. theta energy: -83.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -974.822295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.822295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.822295 (E_RNA) where: Base-Base interactions energy: -658.402 where: short stacking energy: -300.594 Base-Backbone interact. energy: -0.314 local terms energy: -316.106765 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -56.546 flat angles C4'-P-C4' energy: -80.038 flat angles P-C4'-P energy: -47.802 tors. eta vs tors. theta energy: -73.979 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: 246 Temperature: 1.200000 Total energy: -899.950061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.950061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.950061 (E_RNA) where: Base-Base interactions energy: -611.100 where: short stacking energy: -254.231 Base-Backbone interact. energy: 0.390 local terms energy: -289.239472 where: bonds (distance) C4'-P energy: -59.414 bonds (distance) P-C4' energy: -60.321 flat angles C4'-P-C4' energy: -69.151 flat angles P-C4'-P energy: -53.148 tors. eta vs tors. theta energy: -47.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -762.994963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.994963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.994963 (E_RNA) where: Base-Base interactions energy: -497.013 where: short stacking energy: -240.718 Base-Backbone interact. energy: 3.214 local terms energy: -269.196169 where: bonds (distance) C4'-P energy: -52.533 bonds (distance) P-C4' energy: -64.148 flat angles C4'-P-C4' energy: -50.350 flat angles P-C4'-P energy: -42.211 tors. eta vs tors. theta energy: -59.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -718.998643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.998643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.998643 (E_RNA) where: Base-Base interactions energy: -462.461 where: short stacking energy: -205.530 Base-Backbone interact. energy: -1.812 local terms energy: -254.725854 where: bonds (distance) C4'-P energy: -65.984 bonds (distance) P-C4' energy: -56.635 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -36.021 tors. eta vs tors. theta energy: -35.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -476.233312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.233312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.233312 (E_RNA) where: Base-Base interactions energy: -265.638 where: short stacking energy: -141.550 Base-Backbone interact. energy: -0.076 local terms energy: -210.518458 where: bonds (distance) C4'-P energy: -57.420 bonds (distance) P-C4' energy: -69.440 flat angles C4'-P-C4' energy: -50.785 flat angles P-C4'-P energy: -36.180 tors. eta vs tors. theta energy: 3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1339.567783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.567783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.567783 (E_RNA) where: Base-Base interactions energy: -962.650 where: short stacking energy: -394.511 Base-Backbone interact. energy: -0.910 local terms energy: -376.008256 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -69.165 flat angles C4'-P-C4' energy: -76.559 flat angles P-C4'-P energy: -60.847 tors. eta vs tors. theta energy: -112.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1236.332551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.332551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.332551 (E_RNA) where: Base-Base interactions energy: -856.865 where: short stacking energy: -378.068 Base-Backbone interact. energy: -0.586 local terms energy: -378.881401 where: bonds (distance) C4'-P energy: -70.371 bonds (distance) P-C4' energy: -72.644 flat angles C4'-P-C4' energy: -75.177 flat angles P-C4'-P energy: -52.378 tors. eta vs tors. theta energy: -108.312 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: 7 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1260.492339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.492339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.492339 (E_RNA) where: Base-Base interactions energy: -919.502 where: short stacking energy: -368.470 Base-Backbone interact. energy: -0.137 local terms energy: -340.853175 where: bonds (distance) C4'-P energy: -66.255 bonds (distance) P-C4' energy: -68.303 flat angles C4'-P-C4' energy: -68.986 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -96.676 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: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1122.742844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.742844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.742844 (E_RNA) where: Base-Base interactions energy: -804.727 where: short stacking energy: -327.301 Base-Backbone interact. energy: -2.599 local terms energy: -315.415942 where: bonds (distance) C4'-P energy: -44.618 bonds (distance) P-C4' energy: -66.389 flat angles C4'-P-C4' energy: -75.646 flat angles P-C4'-P energy: -46.999 tors. eta vs tors. theta energy: -81.764 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: 5, replica: 6 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1070.749195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.749195 (E_RNA) where: Base-Base interactions energy: -730.338 where: short stacking energy: -302.109 Base-Backbone interact. energy: -1.450 local terms energy: -338.961634 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -68.929 flat angles C4'-P-C4' energy: -81.783 flat angles P-C4'-P energy: -55.443 tors. eta vs tors. theta energy: -73.107 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: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -958.112604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.112604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.112604 (E_RNA) where: Base-Base interactions energy: -646.921 where: short stacking energy: -282.877 Base-Backbone interact. energy: -1.247 local terms energy: -309.943897 where: bonds (distance) C4'-P energy: -67.200 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -59.712 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -70.173 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: 5 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -918.757015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.757015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.757015 (E_RNA) where: Base-Base interactions energy: -628.925 where: short stacking energy: -261.029 Base-Backbone interact. energy: 2.955 local terms energy: -292.787392 where: bonds (distance) C4'-P energy: -59.743 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -42.590 tors. eta vs tors. theta energy: -66.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -775.691700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.691700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.691700 (E_RNA) where: Base-Base interactions energy: -510.553 where: short stacking energy: -234.632 Base-Backbone interact. energy: 0.436 local terms energy: -265.574327 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -60.111 flat angles C4'-P-C4' energy: -58.612 flat angles P-C4'-P energy: -37.474 tors. eta vs tors. theta energy: -57.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -694.614313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.614313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.614313 (E_RNA) where: Base-Base interactions energy: -426.341 where: short stacking energy: -212.085 Base-Backbone interact. energy: 0.790 local terms energy: -269.063098 where: bonds (distance) C4'-P energy: -47.662 bonds (distance) P-C4' energy: -53.627 flat angles C4'-P-C4' energy: -72.373 flat angles P-C4'-P energy: -46.487 tors. eta vs tors. theta energy: -48.914 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: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -496.305159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.305159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.305159 (E_RNA) where: Base-Base interactions energy: -276.770 where: short stacking energy: -133.278 Base-Backbone interact. energy: -2.095 local terms energy: -217.440169 where: bonds (distance) C4'-P energy: -60.600 bonds (distance) P-C4' energy: -64.869 flat angles C4'-P-C4' energy: -45.666 flat angles P-C4'-P energy: -34.307 tors. eta vs tors. theta energy: -11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1337.757616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.757616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.757616 (E_RNA) where: Base-Base interactions energy: -939.541 where: short stacking energy: -390.231 Base-Backbone interact. energy: -1.090 local terms energy: -397.127390 where: bonds (distance) C4'-P energy: -77.331 bonds (distance) P-C4' energy: -65.421 flat angles C4'-P-C4' energy: -84.446 flat angles P-C4'-P energy: -56.389 tors. eta vs tors. theta energy: -113.541 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: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1241.375150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.375150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.375150 (E_RNA) where: Base-Base interactions energy: -877.886 where: short stacking energy: -363.768 Base-Backbone interact. energy: -1.556 local terms energy: -361.933631 where: bonds (distance) C4'-P energy: -64.742 bonds (distance) P-C4' energy: -69.763 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -47.416 tors. eta vs tors. theta energy: -102.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1253.874747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.874747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.874747 (E_RNA) where: Base-Base interactions energy: -905.300 where: short stacking energy: -362.042 Base-Backbone interact. energy: -1.347 local terms energy: -347.228350 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -68.123 flat angles C4'-P-C4' energy: -79.576 flat angles P-C4'-P energy: -48.293 tors. eta vs tors. theta energy: -92.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1145.919796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.919796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.919796 (E_RNA) where: Base-Base interactions energy: -808.915 where: short stacking energy: -317.802 Base-Backbone interact. energy: -0.403 local terms energy: -336.601694 where: bonds (distance) C4'-P energy: -63.943 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -70.182 flat angles P-C4'-P energy: -47.632 tors. eta vs tors. theta energy: -93.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1030.599018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.599018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.599018 (E_RNA) where: Base-Base interactions energy: -703.405 where: short stacking energy: -316.326 Base-Backbone interact. energy: -0.895 local terms energy: -326.298849 where: bonds (distance) C4'-P energy: -51.537 bonds (distance) P-C4' energy: -62.303 flat angles C4'-P-C4' energy: -77.081 flat angles P-C4'-P energy: -41.960 tors. eta vs tors. theta energy: -93.418 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: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1033.997154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.997154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.997154 (E_RNA) where: Base-Base interactions energy: -713.895 where: short stacking energy: -279.223 Base-Backbone interact. energy: -1.235 local terms energy: -318.867197 where: bonds (distance) C4'-P energy: -55.570 bonds (distance) P-C4' energy: -64.761 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -71.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -872.838932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.838932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.838932 (E_RNA) where: Base-Base interactions energy: -606.988 where: short stacking energy: -260.526 Base-Backbone interact. energy: 1.169 local terms energy: -267.020051 where: bonds (distance) C4'-P energy: -51.959 bonds (distance) P-C4' energy: -61.089 flat angles C4'-P-C4' energy: -57.491 flat angles P-C4'-P energy: -37.720 tors. eta vs tors. theta energy: -58.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -791.168280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.168280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.168280 (E_RNA) where: Base-Base interactions energy: -540.337 where: short stacking energy: -254.812 Base-Backbone interact. energy: 0.858 local terms energy: -251.689986 where: bonds (distance) C4'-P energy: -60.175 bonds (distance) P-C4' energy: -58.703 flat angles C4'-P-C4' energy: -56.241 flat angles P-C4'-P energy: -20.823 tors. eta vs tors. theta energy: -55.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -702.986506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.986506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.986506 (E_RNA) where: Base-Base interactions energy: -458.208 where: short stacking energy: -222.747 Base-Backbone interact. energy: -0.849 local terms energy: -243.929255 where: bonds (distance) C4'-P energy: -54.147 bonds (distance) P-C4' energy: -60.123 flat angles C4'-P-C4' energy: -58.776 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: -36.577 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: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -495.525600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.525600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.525600 (E_RNA) where: Base-Base interactions energy: -263.913 where: short stacking energy: -145.939 Base-Backbone interact. energy: 0.418 local terms energy: -232.030997 where: bonds (distance) C4'-P energy: -61.753 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -65.617 flat angles P-C4'-P energy: -37.788 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1336.223254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.223254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.223254 (E_RNA) where: Base-Base interactions energy: -960.119 where: short stacking energy: -385.154 Base-Backbone interact. energy: -2.277 local terms energy: -373.827538 where: bonds (distance) C4'-P energy: -73.908 bonds (distance) P-C4' energy: -66.099 flat angles C4'-P-C4' energy: -70.161 flat angles P-C4'-P energy: -58.228 tors. eta vs tors. theta energy: -105.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1267.701320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.701320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.701320 (E_RNA) where: Base-Base interactions energy: -918.248 where: short stacking energy: -378.194 Base-Backbone interact. energy: 0.098 local terms energy: -349.551808 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -71.178 flat angles C4'-P-C4' energy: -64.864 flat angles P-C4'-P energy: -52.212 tors. eta vs tors. theta energy: -98.581 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: 249 Temperature: 1.000000 Total energy: -1198.493068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.493068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.493068 (E_RNA) where: Base-Base interactions energy: -843.132 where: short stacking energy: -363.592 Base-Backbone interact. energy: -0.761 local terms energy: -354.600729 where: bonds (distance) C4'-P energy: -58.589 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -72.018 flat angles P-C4'-P energy: -48.548 tors. eta vs tors. theta energy: -100.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1155.720227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.720227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.720227 (E_RNA) where: Base-Base interactions energy: -829.075 where: short stacking energy: -337.967 Base-Backbone interact. energy: 1.031 local terms energy: -327.676725 where: bonds (distance) C4'-P energy: -59.664 bonds (distance) P-C4' energy: -66.618 flat angles C4'-P-C4' energy: -77.761 flat angles P-C4'-P energy: -41.053 tors. eta vs tors. theta energy: -82.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1027.811884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.811884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.811884 (E_RNA) where: Base-Base interactions energy: -701.126 where: short stacking energy: -314.149 Base-Backbone interact. energy: -0.442 local terms energy: -326.243609 where: bonds (distance) C4'-P energy: -63.878 bonds (distance) P-C4' energy: -67.479 flat angles C4'-P-C4' energy: -72.215 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -77.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1029.711602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.711602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.711602 (E_RNA) where: Base-Base interactions energy: -702.276 where: short stacking energy: -278.767 Base-Backbone interact. energy: 1.694 local terms energy: -329.129676 where: bonds (distance) C4'-P energy: -69.472 bonds (distance) P-C4' energy: -64.932 flat angles C4'-P-C4' energy: -76.164 flat angles P-C4'-P energy: -51.399 tors. eta vs tors. theta energy: -67.163 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: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -902.597834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.597834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.597834 (E_RNA) where: Base-Base interactions energy: -611.288 where: short stacking energy: -256.360 Base-Backbone interact. energy: 1.145 local terms energy: -292.454448 where: bonds (distance) C4'-P energy: -52.657 bonds (distance) P-C4' energy: -69.252 flat angles C4'-P-C4' energy: -69.588 flat angles P-C4'-P energy: -42.672 tors. eta vs tors. theta energy: -58.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -781.972363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.972363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.972363 (E_RNA) where: Base-Base interactions energy: -494.769 where: short stacking energy: -239.088 Base-Backbone interact. energy: -0.939 local terms energy: -286.264542 where: bonds (distance) C4'-P energy: -63.639 bonds (distance) P-C4' energy: -65.339 flat angles C4'-P-C4' energy: -67.130 flat angles P-C4'-P energy: -33.804 tors. eta vs tors. theta energy: -56.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -707.516928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.516928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.516928 (E_RNA) where: Base-Base interactions energy: -462.289 where: short stacking energy: -215.171 Base-Backbone interact. energy: -0.353 local terms energy: -244.874833 where: bonds (distance) C4'-P energy: -55.614 bonds (distance) P-C4' energy: -57.443 flat angles C4'-P-C4' energy: -50.708 flat angles P-C4'-P energy: -42.308 tors. eta vs tors. theta energy: -38.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -414.307980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.307980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.307980 (E_RNA) where: Base-Base interactions energy: -239.756 where: short stacking energy: -114.381 Base-Backbone interact. energy: 7.621 local terms energy: -182.172865 where: bonds (distance) C4'-P energy: -54.458 bonds (distance) P-C4' energy: -54.527 flat angles C4'-P-C4' energy: -43.682 flat angles P-C4'-P energy: -35.543 tors. eta vs tors. theta energy: 6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1353.073339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.073339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.073339 (E_RNA) where: Base-Base interactions energy: -955.719 where: short stacking energy: -393.625 Base-Backbone interact. energy: -0.787 local terms energy: -396.567455 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -75.810 flat angles C4'-P-C4' energy: -80.870 flat angles P-C4'-P energy: -60.905 tors. eta vs tors. theta energy: -111.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1264.083593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.083593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.083593 (E_RNA) where: Base-Base interactions energy: -909.080 where: short stacking energy: -369.979 Base-Backbone interact. energy: -0.203 local terms energy: -354.800023 where: bonds (distance) C4'-P energy: -59.845 bonds (distance) P-C4' energy: -70.389 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -98.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1185.199141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.199141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.199141 (E_RNA) where: Base-Base interactions energy: -816.239 where: short stacking energy: -345.137 Base-Backbone interact. energy: -1.374 local terms energy: -367.586453 where: bonds (distance) C4'-P energy: -62.987 bonds (distance) P-C4' energy: -69.944 flat angles C4'-P-C4' energy: -82.634 flat angles P-C4'-P energy: -58.535 tors. eta vs tors. theta energy: -93.486 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: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1168.864896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.864896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.864896 (E_RNA) where: Base-Base interactions energy: -840.409 where: short stacking energy: -336.847 Base-Backbone interact. energy: 1.746 local terms energy: -330.201124 where: bonds (distance) C4'-P energy: -57.870 bonds (distance) P-C4' energy: -75.632 flat angles C4'-P-C4' energy: -70.817 flat angles P-C4'-P energy: -39.658 tors. eta vs tors. theta energy: -86.223 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: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1056.189911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.189911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.189911 (E_RNA) where: Base-Base interactions energy: -736.602 where: short stacking energy: -305.052 Base-Backbone interact. energy: 0.585 local terms energy: -320.172777 where: bonds (distance) C4'-P energy: -68.877 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -70.371 flat angles P-C4'-P energy: -48.216 tors. eta vs tors. theta energy: -73.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -985.155115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.155115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.155115 (E_RNA) where: Base-Base interactions energy: -665.129 where: short stacking energy: -296.332 Base-Backbone interact. energy: -0.368 local terms energy: -319.657955 where: bonds (distance) C4'-P energy: -70.747 bonds (distance) P-C4' energy: -53.685 flat angles C4'-P-C4' energy: -67.794 flat angles P-C4'-P energy: -41.711 tors. eta vs tors. theta energy: -85.721 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: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -903.160918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.160918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.160918 (E_RNA) where: Base-Base interactions energy: -617.695 where: short stacking energy: -258.745 Base-Backbone interact. energy: -0.968 local terms energy: -284.497325 where: bonds (distance) C4'-P energy: -62.779 bonds (distance) P-C4' energy: -59.400 flat angles C4'-P-C4' energy: -61.876 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -54.409 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: 8, replica: 10 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -796.551633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.551633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.551633 (E_RNA) where: Base-Base interactions energy: -529.517 where: short stacking energy: -227.807 Base-Backbone interact. energy: -1.232 local terms energy: -265.802865 where: bonds (distance) C4'-P energy: -62.152 bonds (distance) P-C4' energy: -49.996 flat angles C4'-P-C4' energy: -65.375 flat angles P-C4'-P energy: -37.373 tors. eta vs tors. theta energy: -50.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -689.037166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.037166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.037166 (E_RNA) where: Base-Base interactions energy: -454.931 where: short stacking energy: -209.435 Base-Backbone interact. energy: 1.343 local terms energy: -235.450063 where: bonds (distance) C4'-P energy: -66.537 bonds (distance) P-C4' energy: -58.599 flat angles C4'-P-C4' energy: -60.993 flat angles P-C4'-P energy: -29.335 tors. eta vs tors. theta energy: -19.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -446.798393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.798393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.798393 (E_RNA) where: Base-Base interactions energy: -252.287 where: short stacking energy: -123.792 Base-Backbone interact. energy: -0.791 local terms energy: -193.720855 where: bonds (distance) C4'-P energy: -44.270 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -56.137 flat angles P-C4'-P energy: -30.754 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: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1340.865446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.865446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.865446 (E_RNA) where: Base-Base interactions energy: -945.535 where: short stacking energy: -380.506 Base-Backbone interact. energy: 0.231 local terms energy: -395.561352 where: bonds (distance) C4'-P energy: -64.461 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -88.510 flat angles P-C4'-P energy: -55.495 tors. eta vs tors. theta energy: -107.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1271.107658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.107658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.107658 (E_RNA) where: Base-Base interactions energy: -915.883 where: short stacking energy: -374.735 Base-Backbone interact. energy: 1.161 local terms energy: -356.385329 where: bonds (distance) C4'-P energy: -64.191 bonds (distance) P-C4' energy: -65.330 flat angles C4'-P-C4' energy: -74.728 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -101.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1211.371739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.371739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.371739 (E_RNA) where: Base-Base interactions energy: -852.412 where: short stacking energy: -352.902 Base-Backbone interact. energy: 0.462 local terms energy: -359.422072 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -67.439 flat angles C4'-P-C4' energy: -68.221 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -105.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1136.591738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.591738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.591738 (E_RNA) where: Base-Base interactions energy: -801.032 where: short stacking energy: -328.339 Base-Backbone interact. energy: -0.737 local terms energy: -334.822687 where: bonds (distance) C4'-P energy: -52.097 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -79.666 flat angles P-C4'-P energy: -46.057 tors. eta vs tors. theta energy: -85.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1068.071255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.071255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.071255 (E_RNA) where: Base-Base interactions energy: -746.246 where: short stacking energy: -313.643 Base-Backbone interact. energy: -1.021 local terms energy: -320.804271 where: bonds (distance) C4'-P energy: -66.392 bonds (distance) P-C4' energy: -67.538 flat angles C4'-P-C4' energy: -66.089 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -75.339 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: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1041.898578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.898578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.898578 (E_RNA) where: Base-Base interactions energy: -707.388 where: short stacking energy: -328.818 Base-Backbone interact. energy: -2.602 local terms energy: -331.908343 where: bonds (distance) C4'-P energy: -56.881 bonds (distance) P-C4' energy: -60.575 flat angles C4'-P-C4' energy: -78.005 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -92.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -958.728572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.728572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.728572 (E_RNA) where: Base-Base interactions energy: -665.707 where: short stacking energy: -293.717 Base-Backbone interact. energy: -2.102 local terms energy: -290.919849 where: bonds (distance) C4'-P energy: -55.643 bonds (distance) P-C4' energy: -54.647 flat angles C4'-P-C4' energy: -67.483 flat angles P-C4'-P energy: -41.429 tors. eta vs tors. theta energy: -71.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -774.108594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.108594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.108594 (E_RNA) where: Base-Base interactions energy: -506.788 where: short stacking energy: -234.740 Base-Backbone interact. energy: 2.032 local terms energy: -269.352269 where: bonds (distance) C4'-P energy: -56.193 bonds (distance) P-C4' energy: -59.133 flat angles C4'-P-C4' energy: -63.625 flat angles P-C4'-P energy: -33.767 tors. eta vs tors. theta energy: -56.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -673.033307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.033307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.033307 (E_RNA) where: Base-Base interactions energy: -432.787 where: short stacking energy: -191.541 Base-Backbone interact. energy: -0.489 local terms energy: -239.756499 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -64.693 flat angles C4'-P-C4' energy: -55.367 flat angles P-C4'-P energy: -35.570 tors. eta vs tors. theta energy: -25.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -455.241894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.241894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.241894 (E_RNA) where: Base-Base interactions energy: -239.931 where: short stacking energy: -133.286 Base-Backbone interact. energy: -0.307 local terms energy: -215.004474 where: bonds (distance) C4'-P energy: -62.002 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -65.169 flat angles P-C4'-P energy: -17.335 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1348.149423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.149423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.149423 (E_RNA) where: Base-Base interactions energy: -958.161 where: short stacking energy: -386.605 Base-Backbone interact. energy: -0.623 local terms energy: -389.364970 where: bonds (distance) C4'-P energy: -71.892 bonds (distance) P-C4' energy: -75.148 flat angles C4'-P-C4' energy: -77.942 flat angles P-C4'-P energy: -57.044 tors. eta vs tors. theta energy: -107.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1268.784097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.784097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.784097 (E_RNA) where: Base-Base interactions energy: -900.264 where: short stacking energy: -371.719 Base-Backbone interact. energy: 2.677 local terms energy: -371.196858 where: bonds (distance) C4'-P energy: -66.095 bonds (distance) P-C4' energy: -66.247 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -58.350 tors. eta vs tors. theta energy: -105.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1231.150859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.150859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.150859 (E_RNA) where: Base-Base interactions energy: -867.995 where: short stacking energy: -365.235 Base-Backbone interact. energy: -0.274 local terms energy: -362.881106 where: bonds (distance) C4'-P energy: -63.657 bonds (distance) P-C4' energy: -77.102 flat angles C4'-P-C4' energy: -72.612 flat angles P-C4'-P energy: -47.481 tors. eta vs tors. theta energy: -102.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1138.484161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.484161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.484161 (E_RNA) where: Base-Base interactions energy: -803.499 where: short stacking energy: -328.456 Base-Backbone interact. energy: -0.859 local terms energy: -334.126059 where: bonds (distance) C4'-P energy: -60.732 bonds (distance) P-C4' energy: -60.050 flat angles C4'-P-C4' energy: -73.823 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -85.149 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: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1093.698213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.698213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.698213 (E_RNA) where: Base-Base interactions energy: -766.609 where: short stacking energy: -327.391 Base-Backbone interact. energy: -2.470 local terms energy: -324.619337 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -55.135 flat angles C4'-P-C4' energy: -74.621 flat angles P-C4'-P energy: -43.315 tors. eta vs tors. theta energy: -83.339 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: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1019.230519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.230519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.230519 (E_RNA) where: Base-Base interactions energy: -702.521 where: short stacking energy: -324.410 Base-Backbone interact. energy: -0.543 local terms energy: -316.166253 where: bonds (distance) C4'-P energy: -59.176 bonds (distance) P-C4' energy: -65.793 flat angles C4'-P-C4' energy: -59.753 flat angles P-C4'-P energy: -41.849 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: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -958.536486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.536486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.536486 (E_RNA) where: Base-Base interactions energy: -647.461 where: short stacking energy: -285.881 Base-Backbone interact. energy: -2.217 local terms energy: -308.858861 where: bonds (distance) C4'-P energy: -53.778 bonds (distance) P-C4' energy: -59.519 flat angles C4'-P-C4' energy: -70.313 flat angles P-C4'-P energy: -44.423 tors. eta vs tors. theta energy: -80.825 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: 8, replica: 10 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -734.093133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.093133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.093133 (E_RNA) where: Base-Base interactions energy: -486.971 where: short stacking energy: -210.069 Base-Backbone interact. energy: -2.418 local terms energy: -244.703919 where: bonds (distance) C4'-P energy: -55.389 bonds (distance) P-C4' energy: -62.260 flat angles C4'-P-C4' energy: -56.957 flat angles P-C4'-P energy: -33.785 tors. eta vs tors. theta energy: -36.313 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: 1 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -690.695094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.695094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.695094 (E_RNA) where: Base-Base interactions energy: -474.468 where: short stacking energy: -212.353 Base-Backbone interact. energy: -0.718 local terms energy: -215.508729 where: bonds (distance) C4'-P energy: -43.528 bonds (distance) P-C4' energy: -52.864 flat angles C4'-P-C4' energy: -52.432 flat angles P-C4'-P energy: -24.050 tors. eta vs tors. theta energy: -42.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -458.879956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.879956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.879956 (E_RNA) where: Base-Base interactions energy: -246.491 where: short stacking energy: -133.298 Base-Backbone interact. energy: 1.196 local terms energy: -213.584337 where: bonds (distance) C4'-P energy: -62.407 bonds (distance) P-C4' energy: -54.862 flat angles C4'-P-C4' energy: -51.067 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -5.274 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: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1341.769292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.769292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.769292 (E_RNA) where: Base-Base interactions energy: -963.201 where: short stacking energy: -394.782 Base-Backbone interact. energy: -0.956 local terms energy: -377.612628 where: bonds (distance) C4'-P energy: -70.412 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -78.149 flat angles P-C4'-P energy: -52.505 tors. eta vs tors. theta energy: -112.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1276.562265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.562265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.562265 (E_RNA) where: Base-Base interactions energy: -911.617 where: short stacking energy: -360.881 Base-Backbone interact. energy: -1.224 local terms energy: -363.721168 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -79.841 flat angles C4'-P-C4' energy: -71.085 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -99.658 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: 253 Temperature: 1.000000 Total energy: -1238.602918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.602918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.602918 (E_RNA) where: Base-Base interactions energy: -875.152 where: short stacking energy: -378.295 Base-Backbone interact. energy: -0.587 local terms energy: -362.863887 where: bonds (distance) C4'-P energy: -65.936 bonds (distance) P-C4' energy: -59.633 flat angles C4'-P-C4' energy: -78.060 flat angles P-C4'-P energy: -44.228 tors. eta vs tors. theta energy: -115.007 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: 8 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1157.901899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.901899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.901899 (E_RNA) where: Base-Base interactions energy: -815.990 where: short stacking energy: -318.603 Base-Backbone interact. energy: -1.997 local terms energy: -339.914808 where: bonds (distance) C4'-P energy: -57.410 bonds (distance) P-C4' energy: -73.373 flat angles C4'-P-C4' energy: -72.856 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: -85.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1107.221355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.221355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.221355 (E_RNA) where: Base-Base interactions energy: -779.123 where: short stacking energy: -317.684 Base-Backbone interact. energy: -0.187 local terms energy: -327.911007 where: bonds (distance) C4'-P energy: -70.433 bonds (distance) P-C4' energy: -60.494 flat angles C4'-P-C4' energy: -70.754 flat angles P-C4'-P energy: -47.536 tors. eta vs tors. theta energy: -78.695 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: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -991.651443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.651443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.651443 (E_RNA) where: Base-Base interactions energy: -679.406 where: short stacking energy: -299.173 Base-Backbone interact. energy: -0.394 local terms energy: -311.850690 where: bonds (distance) C4'-P energy: -60.193 bonds (distance) P-C4' energy: -59.831 flat angles C4'-P-C4' energy: -76.767 flat angles P-C4'-P energy: -36.741 tors. eta vs tors. theta energy: -78.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -942.847444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.847444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.847444 (E_RNA) where: Base-Base interactions energy: -622.220 where: short stacking energy: -283.484 Base-Backbone interact. energy: -1.505 local terms energy: -319.122391 where: bonds (distance) C4'-P energy: -61.320 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -69.413 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: -70.267 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: 10 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -746.771325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.771325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.771325 (E_RNA) where: Base-Base interactions energy: -491.108 where: short stacking energy: -227.085 Base-Backbone interact. energy: 3.205 local terms energy: -258.868167 where: bonds (distance) C4'-P energy: -53.121 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -54.384 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -50.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -770.728960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.728960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.728960 (E_RNA) where: Base-Base interactions energy: -528.247 where: short stacking energy: -241.922 Base-Backbone interact. energy: -1.564 local terms energy: -240.917919 where: bonds (distance) C4'-P energy: -50.438 bonds (distance) P-C4' energy: -61.406 flat angles C4'-P-C4' energy: -54.232 flat angles P-C4'-P energy: -21.828 tors. eta vs tors. theta energy: -53.014 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -475.857675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.857675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.857675 (E_RNA) where: Base-Base interactions energy: -279.437 where: short stacking energy: -117.488 Base-Backbone interact. energy: -2.832 local terms energy: -193.587847 where: bonds (distance) C4'-P energy: -48.014 bonds (distance) P-C4' energy: -70.559 flat angles C4'-P-C4' energy: -41.551 flat angles P-C4'-P energy: -38.110 tors. eta vs tors. theta energy: 4.646 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: 7 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1297.870370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.870370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.870370 (E_RNA) where: Base-Base interactions energy: -936.092 where: short stacking energy: -380.293 Base-Backbone interact. energy: -3.960 local terms energy: -357.818841 where: bonds (distance) C4'-P energy: -64.738 bonds (distance) P-C4' energy: -66.800 flat angles C4'-P-C4' energy: -79.582 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -94.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1337.884943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.884943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.884943 (E_RNA) where: Base-Base interactions energy: -964.803 where: short stacking energy: -389.504 Base-Backbone interact. energy: 1.799 local terms energy: -374.880929 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -67.560 flat angles C4'-P-C4' energy: -81.627 flat angles P-C4'-P energy: -55.301 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: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1252.124591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.124591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.124591 (E_RNA) where: Base-Base interactions energy: -869.802 where: short stacking energy: -364.245 Base-Backbone interact. energy: -0.212 local terms energy: -382.110385 where: bonds (distance) C4'-P energy: -64.381 bonds (distance) P-C4' energy: -73.832 flat angles C4'-P-C4' energy: -86.678 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -109.563 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: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1172.983834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.983834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.983834 (E_RNA) where: Base-Base interactions energy: -830.095 where: short stacking energy: -328.558 Base-Backbone interact. energy: -1.742 local terms energy: -341.146917 where: bonds (distance) C4'-P energy: -60.220 bonds (distance) P-C4' energy: -73.126 flat angles C4'-P-C4' energy: -73.690 flat angles P-C4'-P energy: -55.955 tors. eta vs tors. theta energy: -78.156 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: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1114.795793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.795793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.795793 (E_RNA) where: Base-Base interactions energy: -787.812 where: short stacking energy: -334.594 Base-Backbone interact. energy: -0.634 local terms energy: -326.349448 where: bonds (distance) C4'-P energy: -61.649 bonds (distance) P-C4' energy: -64.026 flat angles C4'-P-C4' energy: -73.809 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -81.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -994.422003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.422003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.422003 (E_RNA) where: Base-Base interactions energy: -698.677 where: short stacking energy: -282.187 Base-Backbone interact. energy: -1.832 local terms energy: -293.913083 where: bonds (distance) C4'-P energy: -60.597 bonds (distance) P-C4' energy: -54.433 flat angles C4'-P-C4' energy: -59.408 flat angles P-C4'-P energy: -46.312 tors. eta vs tors. theta energy: -73.163 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: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -932.855926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.855926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.855926 (E_RNA) where: Base-Base interactions energy: -618.907 where: short stacking energy: -263.543 Base-Backbone interact. energy: -0.526 local terms energy: -313.422941 where: bonds (distance) C4'-P energy: -61.494 bonds (distance) P-C4' energy: -60.770 flat angles C4'-P-C4' energy: -65.935 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -75.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -713.768115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.768115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.768115 (E_RNA) where: Base-Base interactions energy: -475.418 where: short stacking energy: -223.229 Base-Backbone interact. energy: -2.112 local terms energy: -236.238325 where: bonds (distance) C4'-P energy: -46.374 bonds (distance) P-C4' energy: -60.260 flat angles C4'-P-C4' energy: -56.340 flat angles P-C4'-P energy: -36.733 tors. eta vs tors. theta energy: -36.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -806.480530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.480530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.480530 (E_RNA) where: Base-Base interactions energy: -560.216 where: short stacking energy: -222.823 Base-Backbone interact. energy: -0.841 local terms energy: -245.423485 where: bonds (distance) C4'-P energy: -54.752 bonds (distance) P-C4' energy: -52.748 flat angles C4'-P-C4' energy: -66.484 flat angles P-C4'-P energy: -19.505 tors. eta vs tors. theta energy: -51.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -461.666649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.666649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.666649 (E_RNA) where: Base-Base interactions energy: -273.285 where: short stacking energy: -136.529 Base-Backbone interact. energy: 9.808 local terms energy: -198.189596 where: bonds (distance) C4'-P energy: -44.369 bonds (distance) P-C4' energy: -59.880 flat angles C4'-P-C4' energy: -57.838 flat angles P-C4'-P energy: -30.084 tors. eta vs tors. theta energy: -6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1291.888549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.888549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.888549 (E_RNA) where: Base-Base interactions energy: -932.478 where: short stacking energy: -377.233 Base-Backbone interact. energy: -0.302 local terms energy: -359.108923 where: bonds (distance) C4'-P energy: -74.657 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -76.105 flat angles P-C4'-P energy: -40.757 tors. eta vs tors. theta energy: -103.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1309.870294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.870294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.870294 (E_RNA) where: Base-Base interactions energy: -937.620 where: short stacking energy: -404.853 Base-Backbone interact. energy: -1.346 local terms energy: -370.904321 where: bonds (distance) C4'-P energy: -75.157 bonds (distance) P-C4' energy: -59.420 flat angles C4'-P-C4' energy: -70.142 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -112.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1231.312944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.312944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.312944 (E_RNA) where: Base-Base interactions energy: -860.535 where: short stacking energy: -366.434 Base-Backbone interact. energy: -1.697 local terms energy: -369.081460 where: bonds (distance) C4'-P energy: -65.364 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -75.334 flat angles P-C4'-P energy: -55.208 tors. eta vs tors. theta energy: -106.410 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: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1148.970467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.970467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.970467 (E_RNA) where: Base-Base interactions energy: -824.848 where: short stacking energy: -332.658 Base-Backbone interact. energy: -1.612 local terms energy: -322.511174 where: bonds (distance) C4'-P energy: -61.779 bonds (distance) P-C4' energy: -67.510 flat angles C4'-P-C4' energy: -68.218 flat angles P-C4'-P energy: -47.498 tors. eta vs tors. theta energy: -77.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1084.680673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.680673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.680673 (E_RNA) where: Base-Base interactions energy: -762.917 where: short stacking energy: -304.866 Base-Backbone interact. energy: -2.518 local terms energy: -319.245795 where: bonds (distance) C4'-P energy: -60.461 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -73.447 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -80.142 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: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -984.536064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.536064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.536064 (E_RNA) where: Base-Base interactions energy: -699.075 where: short stacking energy: -307.365 Base-Backbone interact. energy: 0.393 local terms energy: -285.853809 where: bonds (distance) C4'-P energy: -52.913 bonds (distance) P-C4' energy: -61.808 flat angles C4'-P-C4' energy: -63.751 flat angles P-C4'-P energy: -38.875 tors. eta vs tors. theta energy: -68.507 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: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -942.260616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.260616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.260616 (E_RNA) where: Base-Base interactions energy: -640.166 where: short stacking energy: -281.602 Base-Backbone interact. energy: -2.667 local terms energy: -299.428130 where: bonds (distance) C4'-P energy: -62.892 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -29.999 tors. eta vs tors. theta energy: -73.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -804.595846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.595846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.595846 (E_RNA) where: Base-Base interactions energy: -550.762 where: short stacking energy: -239.957 Base-Backbone interact. energy: -0.979 local terms energy: -252.854377 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -62.820 flat angles P-C4'-P energy: -29.200 tors. eta vs tors. theta energy: -35.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -697.359286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.359286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.359286 (E_RNA) where: Base-Base interactions energy: -462.185 where: short stacking energy: -213.019 Base-Backbone interact. energy: -1.364 local terms energy: -233.811114 where: bonds (distance) C4'-P energy: -62.985 bonds (distance) P-C4' energy: -63.370 flat angles C4'-P-C4' energy: -53.736 flat angles P-C4'-P energy: -19.076 tors. eta vs tors. theta energy: -34.643 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: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -416.048052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.048052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.048052 (E_RNA) where: Base-Base interactions energy: -215.054 where: short stacking energy: -127.044 Base-Backbone interact. energy: 0.201 local terms energy: -201.194785 where: bonds (distance) C4'-P energy: -51.351 bonds (distance) P-C4' energy: -46.016 flat angles C4'-P-C4' energy: -69.062 flat angles P-C4'-P energy: -24.865 tors. eta vs tors. theta energy: -9.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1342.111153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.111153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.111153 (E_RNA) where: Base-Base interactions energy: -952.431 where: short stacking energy: -400.728 Base-Backbone interact. energy: -0.992 local terms energy: -388.687940 where: bonds (distance) C4'-P energy: -72.853 bonds (distance) P-C4' energy: -76.355 flat angles C4'-P-C4' energy: -72.942 flat angles P-C4'-P energy: -48.638 tors. eta vs tors. theta energy: -117.900 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: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1265.781578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.781578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.781578 (E_RNA) where: Base-Base interactions energy: -917.159 where: short stacking energy: -361.638 Base-Backbone interact. energy: -0.716 local terms energy: -347.906752 where: bonds (distance) C4'-P energy: -71.441 bonds (distance) P-C4' energy: -59.496 flat angles C4'-P-C4' energy: -77.364 flat angles P-C4'-P energy: -43.666 tors. eta vs tors. theta energy: -95.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1235.807351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.807351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.807351 (E_RNA) where: Base-Base interactions energy: -877.727 where: short stacking energy: -376.337 Base-Backbone interact. energy: -1.309 local terms energy: -356.770863 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -63.033 flat angles C4'-P-C4' energy: -69.279 flat angles P-C4'-P energy: -41.964 tors. eta vs tors. theta energy: -104.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1147.366674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.366674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.366674 (E_RNA) where: Base-Base interactions energy: -815.685 where: short stacking energy: -316.269 Base-Backbone interact. energy: 3.018 local terms energy: -334.700260 where: bonds (distance) C4'-P energy: -55.756 bonds (distance) P-C4' energy: -73.703 flat angles C4'-P-C4' energy: -74.169 flat angles P-C4'-P energy: -44.763 tors. eta vs tors. theta energy: -86.310 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: 256 Temperature: 1.100000 Total energy: -1043.992133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.992133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.992133 (E_RNA) where: Base-Base interactions energy: -733.597 where: short stacking energy: -311.899 Base-Backbone interact. energy: -1.578 local terms energy: -308.817380 where: bonds (distance) C4'-P energy: -57.973 bonds (distance) P-C4' energy: -65.298 flat angles C4'-P-C4' energy: -74.220 flat angles P-C4'-P energy: -32.521 tors. eta vs tors. theta energy: -78.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -985.475449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.475449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.475449 (E_RNA) where: Base-Base interactions energy: -691.809 where: short stacking energy: -291.132 Base-Backbone interact. energy: 1.480 local terms energy: -295.146273 where: bonds (distance) C4'-P energy: -66.021 bonds (distance) P-C4' energy: -61.062 flat angles C4'-P-C4' energy: -59.612 flat angles P-C4'-P energy: -46.156 tors. eta vs tors. theta energy: -62.295 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: 256 Temperature: 1.200000 Total energy: -963.199402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.199402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.199402 (E_RNA) where: Base-Base interactions energy: -654.697 where: short stacking energy: -282.591 Base-Backbone interact. energy: -1.241 local terms energy: -307.261849 where: bonds (distance) C4'-P energy: -63.444 bonds (distance) P-C4' energy: -54.273 flat angles C4'-P-C4' energy: -68.639 flat angles P-C4'-P energy: -45.360 tors. eta vs tors. theta energy: -75.546 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: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -805.813214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.813214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.813214 (E_RNA) where: Base-Base interactions energy: -533.588 where: short stacking energy: -236.801 Base-Backbone interact. energy: -0.980 local terms energy: -271.245142 where: bonds (distance) C4'-P energy: -58.547 bonds (distance) P-C4' energy: -49.295 flat angles C4'-P-C4' energy: -71.856 flat angles P-C4'-P energy: -50.567 tors. eta vs tors. theta energy: -40.981 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: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -721.523760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.523760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.523760 (E_RNA) where: Base-Base interactions energy: -455.574 where: short stacking energy: -208.606 Base-Backbone interact. energy: -0.297 local terms energy: -265.651907 where: bonds (distance) C4'-P energy: -65.121 bonds (distance) P-C4' energy: -62.620 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -33.826 tors. eta vs tors. theta energy: -45.271 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: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -420.689396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.689396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.689396 (E_RNA) where: Base-Base interactions energy: -210.155 where: short stacking energy: -112.766 Base-Backbone interact. energy: 0.946 local terms energy: -211.479675 where: bonds (distance) C4'-P energy: -53.417 bonds (distance) P-C4' energy: -58.317 flat angles C4'-P-C4' energy: -51.941 flat angles P-C4'-P energy: -40.139 tors. eta vs tors. theta energy: -7.665 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: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1337.851041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.851041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.851041 (E_RNA) where: Base-Base interactions energy: -951.678 where: short stacking energy: -397.685 Base-Backbone interact. energy: 0.192 local terms energy: -386.364918 where: bonds (distance) C4'-P energy: -68.465 bonds (distance) P-C4' energy: -67.264 flat angles C4'-P-C4' energy: -77.424 flat angles P-C4'-P energy: -61.238 tors. eta vs tors. theta energy: -111.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1259.541010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.541010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.541010 (E_RNA) where: Base-Base interactions energy: -909.464 where: short stacking energy: -359.041 Base-Backbone interact. energy: -0.219 local terms energy: -349.858308 where: bonds (distance) C4'-P energy: -61.072 bonds (distance) P-C4' energy: -71.631 flat angles C4'-P-C4' energy: -74.433 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -92.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1202.275905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.275905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.275905 (E_RNA) where: Base-Base interactions energy: -866.510 where: short stacking energy: -351.060 Base-Backbone interact. energy: -0.775 local terms energy: -334.990830 where: bonds (distance) C4'-P energy: -73.065 bonds (distance) P-C4' energy: -46.643 flat angles C4'-P-C4' energy: -79.962 flat angles P-C4'-P energy: -44.853 tors. eta vs tors. theta energy: -90.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1176.988200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.988200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.988200 (E_RNA) where: Base-Base interactions energy: -842.596 where: short stacking energy: -310.202 Base-Backbone interact. energy: 3.411 local terms energy: -337.802613 where: bonds (distance) C4'-P energy: -73.670 bonds (distance) P-C4' energy: -59.451 flat angles C4'-P-C4' energy: -80.822 flat angles P-C4'-P energy: -43.841 tors. eta vs tors. theta energy: -80.018 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: 257 Temperature: 1.100000 Total energy: -1075.539854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.539854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.539854 (E_RNA) where: Base-Base interactions energy: -759.559 where: short stacking energy: -321.242 Base-Backbone interact. energy: 3.080 local terms energy: -319.060566 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -63.210 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -43.240 tors. eta vs tors. theta energy: -79.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1041.554901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.554901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.554901 (E_RNA) where: Base-Base interactions energy: -717.493 where: short stacking energy: -297.593 Base-Backbone interact. energy: 3.499 local terms energy: -327.560216 where: bonds (distance) C4'-P energy: -65.623 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -66.608 flat angles P-C4'-P energy: -40.459 tors. eta vs tors. theta energy: -89.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -954.613070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.613070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.613070 (E_RNA) where: Base-Base interactions energy: -661.041 where: short stacking energy: -295.474 Base-Backbone interact. energy: 0.292 local terms energy: -293.863828 where: bonds (distance) C4'-P energy: -63.187 bonds (distance) P-C4' energy: -60.593 flat angles C4'-P-C4' energy: -63.485 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -73.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -793.299012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.299012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.299012 (E_RNA) where: Base-Base interactions energy: -523.079 where: short stacking energy: -236.322 Base-Backbone interact. energy: -0.712 local terms energy: -269.508456 where: bonds (distance) C4'-P energy: -50.635 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -69.026 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -45.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -690.688488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.688488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.688488 (E_RNA) where: Base-Base interactions energy: -443.509 where: short stacking energy: -200.986 Base-Backbone interact. energy: -1.309 local terms energy: -245.870299 where: bonds (distance) C4'-P energy: -43.871 bonds (distance) P-C4' energy: -60.757 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -37.108 tors. eta vs tors. theta energy: -41.874 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: 257 Temperature: 1.350000 Total energy: -453.468342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.468342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.468342 (E_RNA) where: Base-Base interactions energy: -241.752 where: short stacking energy: -131.705 Base-Backbone interact. energy: 1.003 local terms energy: -212.719464 where: bonds (distance) C4'-P energy: -66.474 bonds (distance) P-C4' energy: -61.756 flat angles C4'-P-C4' energy: -56.483 flat angles P-C4'-P energy: -29.699 tors. eta vs tors. theta energy: 1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1323.027812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.027812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.027812 (E_RNA) where: Base-Base interactions energy: -943.099 where: short stacking energy: -403.039 Base-Backbone interact. energy: -0.199 local terms energy: -379.730433 where: bonds (distance) C4'-P energy: -59.167 bonds (distance) P-C4' energy: -73.181 flat angles C4'-P-C4' energy: -77.259 flat angles P-C4'-P energy: -50.823 tors. eta vs tors. theta energy: -119.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1270.298211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.298211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.298211 (E_RNA) where: Base-Base interactions energy: -898.245 where: short stacking energy: -367.237 Base-Backbone interact. energy: -2.628 local terms energy: -369.425210 where: bonds (distance) C4'-P energy: -67.759 bonds (distance) P-C4' energy: -74.797 flat angles C4'-P-C4' energy: -75.599 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -98.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1200.269748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.269748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.269748 (E_RNA) where: Base-Base interactions energy: -839.683 where: short stacking energy: -361.677 Base-Backbone interact. energy: -0.457 local terms energy: -360.130038 where: bonds (distance) C4'-P energy: -59.736 bonds (distance) P-C4' energy: -73.772 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -107.180 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: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1176.585837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.585837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.585837 (E_RNA) where: Base-Base interactions energy: -843.949 where: short stacking energy: -336.569 Base-Backbone interact. energy: -0.198 local terms energy: -332.438469 where: bonds (distance) C4'-P energy: -59.406 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -74.463 flat angles P-C4'-P energy: -49.037 tors. eta vs tors. theta energy: -83.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1056.149051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.149051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.149051 (E_RNA) where: Base-Base interactions energy: -750.865 where: short stacking energy: -307.371 Base-Backbone interact. energy: 0.147 local terms energy: -305.431016 where: bonds (distance) C4'-P energy: -60.661 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -66.676 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -76.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1056.061435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.061435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.061435 (E_RNA) where: Base-Base interactions energy: -738.952 where: short stacking energy: -317.664 Base-Backbone interact. energy: -0.962 local terms energy: -316.147109 where: bonds (distance) C4'-P energy: -53.960 bonds (distance) P-C4' energy: -56.081 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -48.718 tors. eta vs tors. theta energy: -86.678 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: 258 Temperature: 1.200000 Total energy: -949.665174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.665174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.665174 (E_RNA) where: Base-Base interactions energy: -651.588 where: short stacking energy: -267.249 Base-Backbone interact. energy: 1.215 local terms energy: -299.291406 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -61.490 flat angles C4'-P-C4' energy: -73.574 flat angles P-C4'-P energy: -42.234 tors. eta vs tors. theta energy: -60.387 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: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -766.868591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.868591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.868591 (E_RNA) where: Base-Base interactions energy: -526.191 where: short stacking energy: -231.556 Base-Backbone interact. energy: 1.203 local terms energy: -241.880979 where: bonds (distance) C4'-P energy: -53.188 bonds (distance) P-C4' energy: -61.589 flat angles C4'-P-C4' energy: -58.276 flat angles P-C4'-P energy: -30.039 tors. eta vs tors. theta energy: -38.788 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: 9, replica: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -687.663592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.663592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.663592 (E_RNA) where: Base-Base interactions energy: -439.170 where: short stacking energy: -219.296 Base-Backbone interact. energy: -0.302 local terms energy: -248.191633 where: bonds (distance) C4'-P energy: -62.142 bonds (distance) P-C4' energy: -51.438 flat angles C4'-P-C4' energy: -58.831 flat angles P-C4'-P energy: -37.390 tors. eta vs tors. theta energy: -38.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -402.954049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.954049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.954049 (E_RNA) where: Base-Base interactions energy: -206.302 where: short stacking energy: -131.221 Base-Backbone interact. energy: -0.974 local terms energy: -195.677465 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -56.953 flat angles C4'-P-C4' energy: -44.098 flat angles P-C4'-P energy: -33.994 tors. eta vs tors. theta energy: -6.381 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: 1, replica: 4 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1330.832288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.832288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.832288 (E_RNA) where: Base-Base interactions energy: -943.521 where: short stacking energy: -370.402 Base-Backbone interact. energy: -0.040 local terms energy: -387.270653 where: bonds (distance) C4'-P energy: -74.628 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -82.427 flat angles P-C4'-P energy: -53.318 tors. eta vs tors. theta energy: -111.280 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: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1248.872533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.872533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.872533 (E_RNA) where: Base-Base interactions energy: -862.015 where: short stacking energy: -366.637 Base-Backbone interact. energy: -0.274 local terms energy: -386.583367 where: bonds (distance) C4'-P energy: -78.234 bonds (distance) P-C4' energy: -77.364 flat angles C4'-P-C4' energy: -82.090 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -101.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1249.865956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.865956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.865956 (E_RNA) where: Base-Base interactions energy: -911.527 where: short stacking energy: -354.874 Base-Backbone interact. energy: -2.146 local terms energy: -336.192815 where: bonds (distance) C4'-P energy: -60.037 bonds (distance) P-C4' energy: -65.674 flat angles C4'-P-C4' energy: -74.521 flat angles P-C4'-P energy: -42.891 tors. eta vs tors. theta energy: -93.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1175.652229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.652229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.652229 (E_RNA) where: Base-Base interactions energy: -821.792 where: short stacking energy: -339.949 Base-Backbone interact. energy: -1.633 local terms energy: -352.226849 where: bonds (distance) C4'-P energy: -71.468 bonds (distance) P-C4' energy: -64.062 flat angles C4'-P-C4' energy: -80.220 flat angles P-C4'-P energy: -46.480 tors. eta vs tors. theta energy: -89.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1070.512555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.512555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.512555 (E_RNA) where: Base-Base interactions energy: -745.333 where: short stacking energy: -301.044 Base-Backbone interact. energy: 4.377 local terms energy: -329.556573 where: bonds (distance) C4'-P energy: -61.604 bonds (distance) P-C4' energy: -62.453 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -51.287 tors. eta vs tors. theta energy: -81.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1041.141488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.141488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.141488 (E_RNA) where: Base-Base interactions energy: -727.225 where: short stacking energy: -296.447 Base-Backbone interact. energy: -0.895 local terms energy: -313.021399 where: bonds (distance) C4'-P energy: -55.849 bonds (distance) P-C4' energy: -57.374 flat angles C4'-P-C4' energy: -79.662 flat angles P-C4'-P energy: -45.060 tors. eta vs tors. theta energy: -75.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -944.942730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.942730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.942730 (E_RNA) where: Base-Base interactions energy: -631.736 where: short stacking energy: -282.797 Base-Backbone interact. energy: -0.771 local terms energy: -312.435649 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -63.074 flat angles P-C4'-P energy: -32.817 tors. eta vs tors. theta energy: -83.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -819.504842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.504842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.504842 (E_RNA) where: Base-Base interactions energy: -565.454 where: short stacking energy: -240.533 Base-Backbone interact. energy: 0.754 local terms energy: -254.805594 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -54.042 flat angles C4'-P-C4' energy: -52.515 flat angles P-C4'-P energy: -27.349 tors. eta vs tors. theta energy: -59.399 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: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -670.383227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.383227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.383227 (E_RNA) where: Base-Base interactions energy: -418.511 where: short stacking energy: -168.898 Base-Backbone interact. energy: 2.372 local terms energy: -254.244256 where: bonds (distance) C4'-P energy: -63.685 bonds (distance) P-C4' energy: -60.804 flat angles C4'-P-C4' energy: -56.239 flat angles P-C4'-P energy: -40.645 tors. eta vs tors. theta energy: -32.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -426.268335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.268335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.268335 (E_RNA) where: Base-Base interactions energy: -227.809 where: short stacking energy: -133.215 Base-Backbone interact. energy: 1.931 local terms energy: -200.390222 where: bonds (distance) C4'-P energy: -56.411 bonds (distance) P-C4' energy: -53.983 flat angles C4'-P-C4' energy: -53.693 flat angles P-C4'-P energy: -26.510 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1337.127822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.127822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.127822 (E_RNA) where: Base-Base interactions energy: -968.348 where: short stacking energy: -395.191 Base-Backbone interact. energy: -0.800 local terms energy: -367.978966 where: bonds (distance) C4'-P energy: -66.461 bonds (distance) P-C4' energy: -60.667 flat angles C4'-P-C4' energy: -73.716 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -113.472 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: 9 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1240.426050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.426050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.426050 (E_RNA) where: Base-Base interactions energy: -853.730 where: short stacking energy: -372.434 Base-Backbone interact. energy: 1.093 local terms energy: -387.789832 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -75.190 flat angles C4'-P-C4' energy: -83.460 flat angles P-C4'-P energy: -52.088 tors. eta vs tors. theta energy: -104.909 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: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1267.825497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.825497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.825497 (E_RNA) where: Base-Base interactions energy: -914.006 where: short stacking energy: -377.907 Base-Backbone interact. energy: -2.165 local terms energy: -351.654940 where: bonds (distance) C4'-P energy: -66.473 bonds (distance) P-C4' energy: -67.090 flat angles C4'-P-C4' energy: -69.192 flat angles P-C4'-P energy: -53.144 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: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1181.252298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.252298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.252298 (E_RNA) where: Base-Base interactions energy: -836.373 where: short stacking energy: -328.939 Base-Backbone interact. energy: 0.388 local terms energy: -345.267040 where: bonds (distance) C4'-P energy: -65.722 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -78.527 flat angles P-C4'-P energy: -44.262 tors. eta vs tors. theta energy: -96.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1077.989953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.989953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.989953 (E_RNA) where: Base-Base interactions energy: -752.542 where: short stacking energy: -306.963 Base-Backbone interact. energy: -1.723 local terms energy: -323.725242 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -70.194 flat angles P-C4'-P energy: -36.493 tors. eta vs tors. theta energy: -81.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1015.701118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.701118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.701118 (E_RNA) where: Base-Base interactions energy: -732.085 where: short stacking energy: -295.970 Base-Backbone interact. energy: -1.142 local terms energy: -282.473873 where: bonds (distance) C4'-P energy: -45.285 bonds (distance) P-C4' energy: -60.012 flat angles C4'-P-C4' energy: -52.419 flat angles P-C4'-P energy: -50.936 tors. eta vs tors. theta energy: -73.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -969.042648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.042648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.042648 (E_RNA) where: Base-Base interactions energy: -670.877 where: short stacking energy: -281.182 Base-Backbone interact. energy: 4.320 local terms energy: -302.485057 where: bonds (distance) C4'-P energy: -54.337 bonds (distance) P-C4' energy: -65.081 flat angles C4'-P-C4' energy: -62.968 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -80.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -770.699344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.699344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.699344 (E_RNA) where: Base-Base interactions energy: -495.973 where: short stacking energy: -229.942 Base-Backbone interact. energy: -3.445 local terms energy: -271.280564 where: bonds (distance) C4'-P energy: -60.625 bonds (distance) P-C4' energy: -63.207 flat angles C4'-P-C4' energy: -63.475 flat angles P-C4'-P energy: -29.046 tors. eta vs tors. theta energy: -54.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -681.156288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.156288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.156288 (E_RNA) where: Base-Base interactions energy: -451.101 where: short stacking energy: -207.835 Base-Backbone interact. energy: -0.238 local terms energy: -229.817377 where: bonds (distance) C4'-P energy: -62.258 bonds (distance) P-C4' energy: -56.541 flat angles C4'-P-C4' energy: -41.964 flat angles P-C4'-P energy: -27.687 tors. eta vs tors. theta energy: -41.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -430.326037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.326037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.326037 (E_RNA) where: Base-Base interactions energy: -228.632 where: short stacking energy: -122.394 Base-Backbone interact. energy: 3.536 local terms energy: -205.230581 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -64.706 flat angles C4'-P-C4' energy: -49.463 flat angles P-C4'-P energy: -29.850 tors. eta vs tors. theta energy: -4.736 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: 1, replica: 4 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1339.171203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.171203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.171203 (E_RNA) where: Base-Base interactions energy: -937.434 where: short stacking energy: -395.654 Base-Backbone interact. energy: -1.499 local terms energy: -400.238910 where: bonds (distance) C4'-P energy: -69.502 bonds (distance) P-C4' energy: -78.412 flat angles C4'-P-C4' energy: -78.407 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -115.295 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: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1285.551211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.551211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.551211 (E_RNA) where: Base-Base interactions energy: -932.274 where: short stacking energy: -378.142 Base-Backbone interact. energy: -1.366 local terms energy: -351.911573 where: bonds (distance) C4'-P energy: -68.746 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -73.475 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -99.396 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: 9 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1206.669249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.669249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.669249 (E_RNA) where: Base-Base interactions energy: -853.548 where: short stacking energy: -358.521 Base-Backbone interact. energy: 2.412 local terms energy: -355.533651 where: bonds (distance) C4'-P energy: -72.663 bonds (distance) P-C4' energy: -61.783 flat angles C4'-P-C4' energy: -63.448 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -101.534 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: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1183.932945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.932945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.932945 (E_RNA) where: Base-Base interactions energy: -835.261 where: short stacking energy: -357.817 Base-Backbone interact. energy: -1.160 local terms energy: -347.512063 where: bonds (distance) C4'-P energy: -57.901 bonds (distance) P-C4' energy: -69.927 flat angles C4'-P-C4' energy: -74.749 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -96.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1049.494807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.494807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.494807 (E_RNA) where: Base-Base interactions energy: -744.712 where: short stacking energy: -324.158 Base-Backbone interact. energy: 0.111 local terms energy: -304.894061 where: bonds (distance) C4'-P energy: -66.801 bonds (distance) P-C4' energy: -61.803 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -39.308 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: 6, replica: 5 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1038.454583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.454583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.454583 (E_RNA) where: Base-Base interactions energy: -730.703 where: short stacking energy: -310.062 Base-Backbone interact. energy: 0.753 local terms energy: -308.505042 where: bonds (distance) C4'-P energy: -65.139 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -62.547 flat angles P-C4'-P energy: -39.537 tors. eta vs tors. theta energy: -72.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -956.147447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.147447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.147447 (E_RNA) where: Base-Base interactions energy: -641.406 where: short stacking energy: -280.830 Base-Backbone interact. energy: -1.013 local terms energy: -313.727677 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -69.089 flat angles C4'-P-C4' energy: -72.489 flat angles P-C4'-P energy: -41.721 tors. eta vs tors. theta energy: -71.628 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: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -793.137664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.137664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.137664 (E_RNA) where: Base-Base interactions energy: -530.539 where: short stacking energy: -236.589 Base-Backbone interact. energy: 0.039 local terms energy: -262.637346 where: bonds (distance) C4'-P energy: -51.053 bonds (distance) P-C4' energy: -60.518 flat angles C4'-P-C4' energy: -60.945 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -46.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -641.412555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.412555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.412555 (E_RNA) where: Base-Base interactions energy: -403.412 where: short stacking energy: -184.087 Base-Backbone interact. energy: -1.509 local terms energy: -236.491994 where: bonds (distance) C4'-P energy: -45.923 bonds (distance) P-C4' energy: -62.822 flat angles C4'-P-C4' energy: -62.727 flat angles P-C4'-P energy: -38.008 tors. eta vs tors. theta energy: -27.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -457.145001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.145001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.145001 (E_RNA) where: Base-Base interactions energy: -255.920 where: short stacking energy: -121.773 Base-Backbone interact. energy: 1.119 local terms energy: -202.343843 where: bonds (distance) C4'-P energy: -66.793 bonds (distance) P-C4' energy: -58.491 flat angles C4'-P-C4' energy: -54.609 flat angles P-C4'-P energy: -22.121 tors. eta vs tors. theta energy: -0.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1342.893965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.893965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.893965 (E_RNA) where: Base-Base interactions energy: -963.720 where: short stacking energy: -393.267 Base-Backbone interact. energy: 1.105 local terms energy: -380.278780 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -63.317 flat angles C4'-P-C4' energy: -79.874 flat angles P-C4'-P energy: -51.143 tors. eta vs tors. theta energy: -114.940 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: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1284.679362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.679362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.679362 (E_RNA) where: Base-Base interactions energy: -926.826 where: short stacking energy: -377.665 Base-Backbone interact. energy: -2.085 local terms energy: -355.767409 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -67.394 flat angles C4'-P-C4' energy: -77.938 flat angles P-C4'-P energy: -50.588 tors. eta vs tors. theta energy: -100.393 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: 9 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1248.845097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.845097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.845097 (E_RNA) where: Base-Base interactions energy: -875.498 where: short stacking energy: -367.441 Base-Backbone interact. energy: -1.099 local terms energy: -372.247802 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -64.164 flat angles C4'-P-C4' energy: -81.209 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -113.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1163.095638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.095638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.095638 (E_RNA) where: Base-Base interactions energy: -809.530 where: short stacking energy: -339.666 Base-Backbone interact. energy: -0.124 local terms energy: -353.441216 where: bonds (distance) C4'-P energy: -59.943 bonds (distance) P-C4' energy: -72.680 flat angles C4'-P-C4' energy: -73.340 flat angles P-C4'-P energy: -54.191 tors. eta vs tors. theta energy: -93.287 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: 5, replica: 6 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1041.433693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.433693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.433693 (E_RNA) where: Base-Base interactions energy: -729.252 where: short stacking energy: -310.406 Base-Backbone interact. energy: -3.342 local terms energy: -308.839193 where: bonds (distance) C4'-P energy: -68.990 bonds (distance) P-C4' energy: -59.140 flat angles C4'-P-C4' energy: -68.717 flat angles P-C4'-P energy: -34.770 tors. eta vs tors. theta energy: -77.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1009.290112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.290112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.290112 (E_RNA) where: Base-Base interactions energy: -684.186 where: short stacking energy: -287.416 Base-Backbone interact. energy: 0.699 local terms energy: -325.803689 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -64.023 flat angles C4'-P-C4' energy: -79.243 flat angles P-C4'-P energy: -49.142 tors. eta vs tors. theta energy: -70.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -967.466968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.466968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.466968 (E_RNA) where: Base-Base interactions energy: -645.042 where: short stacking energy: -286.244 Base-Backbone interact. energy: -0.720 local terms energy: -321.704806 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -61.621 flat angles C4'-P-C4' energy: -68.939 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -79.085 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: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -823.284129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.284129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.284129 (E_RNA) where: Base-Base interactions energy: -574.126 where: short stacking energy: -237.259 Base-Backbone interact. energy: -0.286 local terms energy: -248.871695 where: bonds (distance) C4'-P energy: -46.396 bonds (distance) P-C4' energy: -55.501 flat angles C4'-P-C4' energy: -52.611 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -53.021 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: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -625.103584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.103584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.103584 (E_RNA) where: Base-Base interactions energy: -418.038 where: short stacking energy: -193.924 Base-Backbone interact. energy: -1.120 local terms energy: -205.945375 where: bonds (distance) C4'-P energy: -50.915 bonds (distance) P-C4' energy: -60.843 flat angles C4'-P-C4' energy: -45.463 flat angles P-C4'-P energy: -27.732 tors. eta vs tors. theta energy: -20.992 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: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -470.121695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.121695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.121695 (E_RNA) where: Base-Base interactions energy: -244.800 where: short stacking energy: -105.401 Base-Backbone interact. energy: 0.357 local terms energy: -225.679270 where: bonds (distance) C4'-P energy: -70.460 bonds (distance) P-C4' energy: -68.671 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -21.788 tors. eta vs tors. theta energy: 1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1333.978363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.978363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.978363 (E_RNA) where: Base-Base interactions energy: -947.060 where: short stacking energy: -400.040 Base-Backbone interact. energy: -2.490 local terms energy: -384.427692 where: bonds (distance) C4'-P energy: -62.629 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -81.557 flat angles P-C4'-P energy: -55.855 tors. eta vs tors. theta energy: -118.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1291.270179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.270179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.270179 (E_RNA) where: Base-Base interactions energy: -921.626 where: short stacking energy: -357.515 Base-Backbone interact. energy: -0.861 local terms energy: -368.783104 where: bonds (distance) C4'-P energy: -61.561 bonds (distance) P-C4' energy: -68.571 flat angles C4'-P-C4' energy: -84.827 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -96.099 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: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1231.275222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.275222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.275222 (E_RNA) where: Base-Base interactions energy: -868.990 where: short stacking energy: -361.858 Base-Backbone interact. energy: -1.749 local terms energy: -360.536303 where: bonds (distance) C4'-P energy: -67.306 bonds (distance) P-C4' energy: -63.685 flat angles C4'-P-C4' energy: -80.770 flat angles P-C4'-P energy: -42.308 tors. eta vs tors. theta energy: -106.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1171.676514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.676514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.676514 (E_RNA) where: Base-Base interactions energy: -829.667 where: short stacking energy: -327.751 Base-Backbone interact. energy: 1.638 local terms energy: -343.647062 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -74.968 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -90.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1078.275710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.275710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.275710 (E_RNA) where: Base-Base interactions energy: -774.011 where: short stacking energy: -325.304 Base-Backbone interact. energy: -2.810 local terms energy: -301.454638 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -61.031 flat angles C4'-P-C4' energy: -66.316 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -71.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -977.806787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.806787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.806787 (E_RNA) where: Base-Base interactions energy: -661.968 where: short stacking energy: -296.388 Base-Backbone interact. energy: -1.181 local terms energy: -314.657609 where: bonds (distance) C4'-P energy: -58.538 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -69.390 flat angles P-C4'-P energy: -45.479 tors. eta vs tors. theta energy: -77.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -978.496726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.496726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.496726 (E_RNA) where: Base-Base interactions energy: -673.674 where: short stacking energy: -296.658 Base-Backbone interact. energy: -0.087 local terms energy: -304.735496 where: bonds (distance) C4'-P energy: -62.494 bonds (distance) P-C4' energy: -65.119 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -32.463 tors. eta vs tors. theta energy: -78.668 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -811.053846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.053846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.053846 (E_RNA) where: Base-Base interactions energy: -558.176 where: short stacking energy: -247.687 Base-Backbone interact. energy: -0.268 local terms energy: -252.609967 where: bonds (distance) C4'-P energy: -55.231 bonds (distance) P-C4' energy: -49.330 flat angles C4'-P-C4' energy: -60.690 flat angles P-C4'-P energy: -34.675 tors. eta vs tors. theta energy: -52.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -707.704061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.704061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.704061 (E_RNA) where: Base-Base interactions energy: -451.149 where: short stacking energy: -227.464 Base-Backbone interact. energy: -0.529 local terms energy: -256.026249 where: bonds (distance) C4'-P energy: -43.321 bonds (distance) P-C4' energy: -66.127 flat angles C4'-P-C4' energy: -62.644 flat angles P-C4'-P energy: -38.755 tors. eta vs tors. theta energy: -45.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -433.918573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.918573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.918573 (E_RNA) where: Base-Base interactions energy: -213.560 where: short stacking energy: -114.937 Base-Backbone interact. energy: 0.592 local terms energy: -220.951087 where: bonds (distance) C4'-P energy: -67.016 bonds (distance) P-C4' energy: -56.651 flat angles C4'-P-C4' energy: -51.093 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1331.142209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.142209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.142209 (E_RNA) where: Base-Base interactions energy: -954.952 where: short stacking energy: -396.580 Base-Backbone interact. energy: -1.486 local terms energy: -374.704715 where: bonds (distance) C4'-P energy: -59.092 bonds (distance) P-C4' energy: -67.210 flat angles C4'-P-C4' energy: -77.767 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -116.931 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: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1286.786286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.786286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.786286 (E_RNA) where: Base-Base interactions energy: -928.088 where: short stacking energy: -369.750 Base-Backbone interact. energy: -0.381 local terms energy: -358.316974 where: bonds (distance) C4'-P energy: -63.970 bonds (distance) P-C4' energy: -66.410 flat angles C4'-P-C4' energy: -76.111 flat angles P-C4'-P energy: -55.089 tors. eta vs tors. theta energy: -96.737 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: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1233.066417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.066417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.066417 (E_RNA) where: Base-Base interactions energy: -866.135 where: short stacking energy: -363.078 Base-Backbone interact. energy: 1.750 local terms energy: -368.680770 where: bonds (distance) C4'-P energy: -70.826 bonds (distance) P-C4' energy: -66.277 flat angles C4'-P-C4' energy: -75.947 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -104.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1151.787999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.787999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.787999 (E_RNA) where: Base-Base interactions energy: -830.505 where: short stacking energy: -327.976 Base-Backbone interact. energy: 1.577 local terms energy: -322.860081 where: bonds (distance) C4'-P energy: -54.777 bonds (distance) P-C4' energy: -53.514 flat angles C4'-P-C4' energy: -73.946 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -84.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1087.064392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.064392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.064392 (E_RNA) where: Base-Base interactions energy: -755.460 where: short stacking energy: -306.903 Base-Backbone interact. energy: -2.592 local terms energy: -329.012892 where: bonds (distance) C4'-P energy: -66.112 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -44.062 tors. eta vs tors. theta energy: -82.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -982.570176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.570176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.570176 (E_RNA) where: Base-Base interactions energy: -670.723 where: short stacking energy: -296.238 Base-Backbone interact. energy: -1.881 local terms energy: -309.966281 where: bonds (distance) C4'-P energy: -60.947 bonds (distance) P-C4' energy: -57.426 flat angles C4'-P-C4' energy: -74.445 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -73.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -967.161073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.161073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.161073 (E_RNA) where: Base-Base interactions energy: -687.809 where: short stacking energy: -273.703 Base-Backbone interact. energy: -0.956 local terms energy: -278.396458 where: bonds (distance) C4'-P energy: -52.727 bonds (distance) P-C4' energy: -52.500 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -28.424 tors. eta vs tors. theta energy: -72.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -834.903640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.903640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.903640 (E_RNA) where: Base-Base interactions energy: -595.397 where: short stacking energy: -260.855 Base-Backbone interact. energy: -0.461 local terms energy: -239.045466 where: bonds (distance) C4'-P energy: -43.596 bonds (distance) P-C4' energy: -51.523 flat angles C4'-P-C4' energy: -52.729 flat angles P-C4'-P energy: -31.344 tors. eta vs tors. theta energy: -59.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -635.775545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.775545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.775545 (E_RNA) where: Base-Base interactions energy: -405.869 where: short stacking energy: -215.444 Base-Backbone interact. energy: -1.351 local terms energy: -228.555136 where: bonds (distance) C4'-P energy: -52.771 bonds (distance) P-C4' energy: -53.822 flat angles C4'-P-C4' energy: -48.897 flat angles P-C4'-P energy: -35.171 tors. eta vs tors. theta energy: -37.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -408.446697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.446697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.446697 (E_RNA) where: Base-Base interactions energy: -186.766 where: short stacking energy: -113.374 Base-Backbone interact. energy: -0.985 local terms energy: -220.695177 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -44.847 flat angles P-C4'-P energy: -41.786 tors. eta vs tors. theta energy: -5.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1354.017497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.017497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.017497 (E_RNA) where: Base-Base interactions energy: -954.890 where: short stacking energy: -395.824 Base-Backbone interact. energy: -0.046 local terms energy: -399.081283 where: bonds (distance) C4'-P energy: -66.479 bonds (distance) P-C4' energy: -68.146 flat angles C4'-P-C4' energy: -81.908 flat angles P-C4'-P energy: -63.055 tors. eta vs tors. theta energy: -119.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1275.831151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.831151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.831151 (E_RNA) where: Base-Base interactions energy: -912.901 where: short stacking energy: -371.755 Base-Backbone interact. energy: 3.082 local terms energy: -366.012801 where: bonds (distance) C4'-P energy: -67.548 bonds (distance) P-C4' energy: -75.269 flat angles C4'-P-C4' energy: -73.777 flat angles P-C4'-P energy: -53.458 tors. eta vs tors. theta energy: -95.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1238.799789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.799789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.799789 (E_RNA) where: Base-Base interactions energy: -865.132 where: short stacking energy: -363.773 Base-Backbone interact. energy: -1.317 local terms energy: -372.350971 where: bonds (distance) C4'-P energy: -63.128 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -79.758 flat angles P-C4'-P energy: -56.184 tors. eta vs tors. theta energy: -109.563 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: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1148.603130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.603130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.603130 (E_RNA) where: Base-Base interactions energy: -812.580 where: short stacking energy: -320.216 Base-Backbone interact. energy: -0.700 local terms energy: -335.323746 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -70.034 flat angles C4'-P-C4' energy: -68.746 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -85.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1088.895414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.895414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.895414 (E_RNA) where: Base-Base interactions energy: -777.681 where: short stacking energy: -305.522 Base-Backbone interact. energy: -4.180 local terms energy: -307.034432 where: bonds (distance) C4'-P energy: -66.993 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -41.076 tors. eta vs tors. theta energy: -68.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1032.479243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.479243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.479243 (E_RNA) where: Base-Base interactions energy: -727.571 where: short stacking energy: -294.724 Base-Backbone interact. energy: 0.424 local terms energy: -305.332195 where: bonds (distance) C4'-P energy: -65.568 bonds (distance) P-C4' energy: -52.180 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -45.641 tors. eta vs tors. theta energy: -73.594 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: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -956.643322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.643322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.643322 (E_RNA) where: Base-Base interactions energy: -646.470 where: short stacking energy: -294.082 Base-Backbone interact. energy: -0.951 local terms energy: -309.222557 where: bonds (distance) C4'-P energy: -43.249 bonds (distance) P-C4' energy: -70.169 flat angles C4'-P-C4' energy: -72.821 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -81.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -870.153578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.153578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.153578 (E_RNA) where: Base-Base interactions energy: -595.602 where: short stacking energy: -264.947 Base-Backbone interact. energy: -0.650 local terms energy: -273.901566 where: bonds (distance) C4'-P energy: -42.395 bonds (distance) P-C4' energy: -73.831 flat angles C4'-P-C4' energy: -63.511 flat angles P-C4'-P energy: -39.229 tors. eta vs tors. theta energy: -54.936 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: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -734.881060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.881060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.881060 (E_RNA) where: Base-Base interactions energy: -474.648 where: short stacking energy: -226.580 Base-Backbone interact. energy: 0.742 local terms energy: -260.975775 where: bonds (distance) C4'-P energy: -56.556 bonds (distance) P-C4' energy: -56.367 flat angles C4'-P-C4' energy: -62.065 flat angles P-C4'-P energy: -38.606 tors. eta vs tors. theta energy: -47.382 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: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -404.501851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.501851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.501851 (E_RNA) where: Base-Base interactions energy: -212.812 where: short stacking energy: -118.046 Base-Backbone interact. energy: -0.729 local terms energy: -190.960148 where: bonds (distance) C4'-P energy: -57.197 bonds (distance) P-C4' energy: -52.502 flat angles C4'-P-C4' energy: -46.046 flat angles P-C4'-P energy: -36.979 tors. eta vs tors. theta energy: 1.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1334.967622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.967622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.967622 (E_RNA) where: Base-Base interactions energy: -947.488 where: short stacking energy: -409.354 Base-Backbone interact. energy: -0.496 local terms energy: -386.983002 where: bonds (distance) C4'-P energy: -63.980 bonds (distance) P-C4' energy: -69.812 flat angles C4'-P-C4' energy: -79.769 flat angles P-C4'-P energy: -57.680 tors. eta vs tors. theta energy: -115.741 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1296.006282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.006282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.006282 (E_RNA) where: Base-Base interactions energy: -935.247 where: short stacking energy: -384.564 Base-Backbone interact. energy: 2.208 local terms energy: -362.966872 where: bonds (distance) C4'-P energy: -63.376 bonds (distance) P-C4' energy: -72.987 flat angles C4'-P-C4' energy: -83.481 flat angles P-C4'-P energy: -39.300 tors. eta vs tors. theta energy: -103.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1271.469370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.469370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.469370 (E_RNA) where: Base-Base interactions energy: -894.061 where: short stacking energy: -380.466 Base-Backbone interact. energy: -0.375 local terms energy: -377.033434 where: bonds (distance) C4'-P energy: -60.138 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -79.041 flat angles P-C4'-P energy: -53.592 tors. eta vs tors. theta energy: -115.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1166.950754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.950754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.950754 (E_RNA) where: Base-Base interactions energy: -826.469 where: short stacking energy: -328.659 Base-Backbone interact. energy: -2.600 local terms energy: -337.881593 where: bonds (distance) C4'-P energy: -64.113 bonds (distance) P-C4' energy: -58.234 flat angles C4'-P-C4' energy: -70.824 flat angles P-C4'-P energy: -51.700 tors. eta vs tors. theta energy: -93.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1072.150812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.150812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.150812 (E_RNA) where: Base-Base interactions energy: -746.186 where: short stacking energy: -299.733 Base-Backbone interact. energy: -0.992 local terms energy: -324.971988 where: bonds (distance) C4'-P energy: -64.788 bonds (distance) P-C4' energy: -69.219 flat angles C4'-P-C4' energy: -74.605 flat angles P-C4'-P energy: -37.325 tors. eta vs tors. theta energy: -79.036 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: 5 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -990.029123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.029123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.029123 (E_RNA) where: Base-Base interactions energy: -684.897 where: short stacking energy: -303.468 Base-Backbone interact. energy: -0.295 local terms energy: -304.837537 where: bonds (distance) C4'-P energy: -62.596 bonds (distance) P-C4' energy: -56.625 flat angles C4'-P-C4' energy: -69.314 flat angles P-C4'-P energy: -39.419 tors. eta vs tors. theta energy: -76.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -966.250851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.250851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.250851 (E_RNA) where: Base-Base interactions energy: -644.220 where: short stacking energy: -277.292 Base-Backbone interact. energy: -1.381 local terms energy: -320.649395 where: bonds (distance) C4'-P energy: -64.889 bonds (distance) P-C4' energy: -61.711 flat angles C4'-P-C4' energy: -67.025 flat angles P-C4'-P energy: -43.440 tors. eta vs tors. theta energy: -83.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -900.447436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.447436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.447436 (E_RNA) where: Base-Base interactions energy: -612.145 where: short stacking energy: -269.462 Base-Backbone interact. energy: -1.558 local terms energy: -286.743776 where: bonds (distance) C4'-P energy: -55.484 bonds (distance) P-C4' energy: -67.176 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -40.606 tors. eta vs tors. theta energy: -59.355 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -734.432844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.432844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.432844 (E_RNA) where: Base-Base interactions energy: -461.914 where: short stacking energy: -235.731 Base-Backbone interact. energy: -1.700 local terms energy: -270.819287 where: bonds (distance) C4'-P energy: -61.952 bonds (distance) P-C4' energy: -65.533 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -27.315 tors. eta vs tors. theta energy: -54.034 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: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -399.969621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.969621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.969621 (E_RNA) where: Base-Base interactions energy: -210.601 where: short stacking energy: -129.094 Base-Backbone interact. energy: -0.041 local terms energy: -189.327836 where: bonds (distance) C4'-P energy: -46.484 bonds (distance) P-C4' energy: -59.874 flat angles C4'-P-C4' energy: -57.516 flat angles P-C4'-P energy: -22.447 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1344.413264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.413264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.413264 (E_RNA) where: Base-Base interactions energy: -943.400 where: short stacking energy: -399.390 Base-Backbone interact. energy: -0.546 local terms energy: -400.467705 where: bonds (distance) C4'-P energy: -72.574 bonds (distance) P-C4' energy: -67.143 flat angles C4'-P-C4' energy: -84.084 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -117.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1289.516050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.516050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.516050 (E_RNA) where: Base-Base interactions energy: -931.393 where: short stacking energy: -374.793 Base-Backbone interact. energy: 1.909 local terms energy: -360.032739 where: bonds (distance) C4'-P energy: -70.490 bonds (distance) P-C4' energy: -62.478 flat angles C4'-P-C4' energy: -80.351 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -100.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1232.979037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.979037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.979037 (E_RNA) where: Base-Base interactions energy: -859.860 where: short stacking energy: -355.678 Base-Backbone interact. energy: -1.574 local terms energy: -371.545525 where: bonds (distance) C4'-P energy: -69.269 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -51.990 tors. eta vs tors. theta energy: -102.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1156.918809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.918809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.918809 (E_RNA) where: Base-Base interactions energy: -816.841 where: short stacking energy: -349.451 Base-Backbone interact. energy: -0.664 local terms energy: -339.413868 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -62.117 flat angles C4'-P-C4' energy: -76.709 flat angles P-C4'-P energy: -53.382 tors. eta vs tors. theta energy: -81.290 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: 267 Temperature: 1.100000 Total energy: -1108.958189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.958189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.958189 (E_RNA) where: Base-Base interactions energy: -768.757 where: short stacking energy: -324.231 Base-Backbone interact. energy: -0.819 local terms energy: -339.382466 where: bonds (distance) C4'-P energy: -65.028 bonds (distance) P-C4' energy: -70.968 flat angles C4'-P-C4' energy: -73.111 flat angles P-C4'-P energy: -44.180 tors. eta vs tors. theta energy: -86.095 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: 5 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1016.649283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.649283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.649283 (E_RNA) where: Base-Base interactions energy: -711.248 where: short stacking energy: -302.658 Base-Backbone interact. energy: -0.833 local terms energy: -304.568612 where: bonds (distance) C4'-P energy: -62.873 bonds (distance) P-C4' energy: -66.245 flat angles C4'-P-C4' energy: -64.804 flat angles P-C4'-P energy: -38.053 tors. eta vs tors. theta energy: -72.594 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: 3 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -939.250857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.250857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.250857 (E_RNA) where: Base-Base interactions energy: -633.417 where: short stacking energy: -275.531 Base-Backbone interact. energy: -1.951 local terms energy: -303.883731 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -39.931 tors. eta vs tors. theta energy: -73.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -873.897793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.897793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.897793 (E_RNA) where: Base-Base interactions energy: -602.895 where: short stacking energy: -257.162 Base-Backbone interact. energy: -1.697 local terms energy: -269.305709 where: bonds (distance) C4'-P energy: -47.347 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -67.369 flat angles P-C4'-P energy: -33.119 tors. eta vs tors. theta energy: -60.241 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: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -651.692087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.692087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.692087 (E_RNA) where: Base-Base interactions energy: -405.048 where: short stacking energy: -185.566 Base-Backbone interact. energy: 0.445 local terms energy: -247.088924 where: bonds (distance) C4'-P energy: -55.599 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -54.908 flat angles P-C4'-P energy: -39.567 tors. eta vs tors. theta energy: -39.694 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: 267 Temperature: 1.350000 Total energy: -422.546489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.546489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.546489 (E_RNA) where: Base-Base interactions energy: -218.383 where: short stacking energy: -123.098 Base-Backbone interact. energy: 0.217 local terms energy: -204.380229 where: bonds (distance) C4'-P energy: -49.048 bonds (distance) P-C4' energy: -63.029 flat angles C4'-P-C4' energy: -58.082 flat angles P-C4'-P energy: -26.074 tors. eta vs tors. theta energy: -8.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1337.958784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.958784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.958784 (E_RNA) where: Base-Base interactions energy: -948.172 where: short stacking energy: -403.078 Base-Backbone interact. energy: 0.750 local terms energy: -390.537500 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -73.627 flat angles C4'-P-C4' energy: -75.889 flat angles P-C4'-P energy: -58.003 tors. eta vs tors. theta energy: -115.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1265.225519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.225519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.225519 (E_RNA) where: Base-Base interactions energy: -913.812 where: short stacking energy: -366.780 Base-Backbone interact. energy: -0.794 local terms energy: -350.619164 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -62.370 flat angles C4'-P-C4' energy: -82.933 flat angles P-C4'-P energy: -53.795 tors. eta vs tors. theta energy: -94.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1239.892714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.892714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.892714 (E_RNA) where: Base-Base interactions energy: -890.393 where: short stacking energy: -380.019 Base-Backbone interact. energy: 0.317 local terms energy: -349.817109 where: bonds (distance) C4'-P energy: -58.279 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -78.169 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -104.625 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: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1153.864445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.864445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.864445 (E_RNA) where: Base-Base interactions energy: -810.163 where: short stacking energy: -333.108 Base-Backbone interact. energy: -0.872 local terms energy: -342.829409 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -68.539 flat angles C4'-P-C4' energy: -70.660 flat angles P-C4'-P energy: -50.081 tors. eta vs tors. theta energy: -82.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1101.656953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.656953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.656953 (E_RNA) where: Base-Base interactions energy: -768.899 where: short stacking energy: -311.647 Base-Backbone interact. energy: -1.302 local terms energy: -331.455779 where: bonds (distance) C4'-P energy: -62.461 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -73.471 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -85.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1045.286481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.286481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.286481 (E_RNA) where: Base-Base interactions energy: -720.979 where: short stacking energy: -313.507 Base-Backbone interact. energy: -1.772 local terms energy: -322.534881 where: bonds (distance) C4'-P energy: -64.144 bonds (distance) P-C4' energy: -57.888 flat angles C4'-P-C4' energy: -69.103 flat angles P-C4'-P energy: -41.999 tors. eta vs tors. theta energy: -89.400 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: 268 Temperature: 1.200000 Total energy: -932.803125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.803125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.803125 (E_RNA) where: Base-Base interactions energy: -633.133 where: short stacking energy: -266.745 Base-Backbone interact. energy: -1.463 local terms energy: -298.207993 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -67.789 flat angles P-C4'-P energy: -38.352 tors. eta vs tors. theta energy: -71.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -804.673240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.673240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.673240 (E_RNA) where: Base-Base interactions energy: -541.078 where: short stacking energy: -242.267 Base-Backbone interact. energy: 0.828 local terms energy: -264.423290 where: bonds (distance) C4'-P energy: -61.361 bonds (distance) P-C4' energy: -54.062 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -47.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -626.587638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.587638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.587638 (E_RNA) where: Base-Base interactions energy: -416.302 where: short stacking energy: -185.671 Base-Backbone interact. energy: 2.336 local terms energy: -212.621506 where: bonds (distance) C4'-P energy: -53.938 bonds (distance) P-C4' energy: -54.481 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -36.541 tors. eta vs tors. theta energy: -14.357 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: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -398.482098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.482098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.482098 (E_RNA) where: Base-Base interactions energy: -204.903 where: short stacking energy: -129.433 Base-Backbone interact. energy: 0.445 local terms energy: -194.024665 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -50.519 flat angles C4'-P-C4' energy: -49.682 flat angles P-C4'-P energy: -37.932 tors. eta vs tors. theta energy: 2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1340.131535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.131535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.131535 (E_RNA) where: Base-Base interactions energy: -943.817 where: short stacking energy: -378.879 Base-Backbone interact. energy: -1.231 local terms energy: -395.082895 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -75.170 flat angles C4'-P-C4' energy: -80.283 flat angles P-C4'-P energy: -58.515 tors. eta vs tors. theta energy: -111.669 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: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1281.248081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.248081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.248081 (E_RNA) where: Base-Base interactions energy: -922.151 where: short stacking energy: -358.221 Base-Backbone interact. energy: -0.034 local terms energy: -359.063576 where: bonds (distance) C4'-P energy: -71.908 bonds (distance) P-C4' energy: -71.317 flat angles C4'-P-C4' energy: -79.766 flat angles P-C4'-P energy: -48.014 tors. eta vs tors. theta energy: -88.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1269.967855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.967855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.967855 (E_RNA) where: Base-Base interactions energy: -897.179 where: short stacking energy: -355.728 Base-Backbone interact. energy: -1.621 local terms energy: -371.167873 where: bonds (distance) C4'-P energy: -74.401 bonds (distance) P-C4' energy: -71.405 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -48.368 tors. eta vs tors. theta energy: -102.886 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: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1142.067611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.067611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.067611 (E_RNA) where: Base-Base interactions energy: -813.434 where: short stacking energy: -323.596 Base-Backbone interact. energy: -1.175 local terms energy: -327.459065 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -77.102 flat angles P-C4'-P energy: -44.332 tors. eta vs tors. theta energy: -88.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1099.650757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.650757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.650757 (E_RNA) where: Base-Base interactions energy: -759.138 where: short stacking energy: -309.726 Base-Backbone interact. energy: 1.088 local terms energy: -341.599967 where: bonds (distance) C4'-P energy: -71.000 bonds (distance) P-C4' energy: -65.691 flat angles C4'-P-C4' energy: -75.718 flat angles P-C4'-P energy: -46.732 tors. eta vs tors. theta energy: -82.458 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: 269 Temperature: 1.150000 Total energy: -1028.934642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.934642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.934642 (E_RNA) where: Base-Base interactions energy: -700.667 where: short stacking energy: -289.617 Base-Backbone interact. energy: -0.979 local terms energy: -327.288216 where: bonds (distance) C4'-P energy: -62.573 bonds (distance) P-C4' energy: -69.379 flat angles C4'-P-C4' energy: -68.991 flat angles P-C4'-P energy: -46.842 tors. eta vs tors. theta energy: -79.503 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: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -945.476617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.476617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.476617 (E_RNA) where: Base-Base interactions energy: -635.326 where: short stacking energy: -273.760 Base-Backbone interact. energy: -0.390 local terms energy: -309.760606 where: bonds (distance) C4'-P energy: -52.729 bonds (distance) P-C4' energy: -70.308 flat angles C4'-P-C4' energy: -62.816 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -79.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -818.363040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.363040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.363040 (E_RNA) where: Base-Base interactions energy: -561.000 where: short stacking energy: -249.630 Base-Backbone interact. energy: -2.123 local terms energy: -255.240521 where: bonds (distance) C4'-P energy: -43.083 bonds (distance) P-C4' energy: -62.404 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -39.896 tors. eta vs tors. theta energy: -46.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -619.593524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.593524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.593524 (E_RNA) where: Base-Base interactions energy: -388.348 where: short stacking energy: -178.149 Base-Backbone interact. energy: -1.578 local terms energy: -229.667566 where: bonds (distance) C4'-P energy: -51.106 bonds (distance) P-C4' energy: -55.368 flat angles C4'-P-C4' energy: -60.925 flat angles P-C4'-P energy: -33.061 tors. eta vs tors. theta energy: -29.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -402.154217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.154217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.154217 (E_RNA) where: Base-Base interactions energy: -198.704 where: short stacking energy: -96.885 Base-Backbone interact. energy: -0.152 local terms energy: -203.297841 where: bonds (distance) C4'-P energy: -56.773 bonds (distance) P-C4' energy: -56.485 flat angles C4'-P-C4' energy: -57.810 flat angles P-C4'-P energy: -29.997 tors. eta vs tors. theta energy: -2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1333.785177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.785177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.785177 (E_RNA) where: Base-Base interactions energy: -931.353 where: short stacking energy: -389.730 Base-Backbone interact. energy: -1.552 local terms energy: -400.880250 where: bonds (distance) C4'-P energy: -71.599 bonds (distance) P-C4' energy: -77.428 flat angles C4'-P-C4' energy: -78.111 flat angles P-C4'-P energy: -56.292 tors. eta vs tors. theta energy: -117.451 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1265.914944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.914944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.914944 (E_RNA) where: Base-Base interactions energy: -901.465 where: short stacking energy: -356.574 Base-Backbone interact. energy: -1.869 local terms energy: -362.580995 where: bonds (distance) C4'-P energy: -73.785 bonds (distance) P-C4' energy: -59.979 flat angles C4'-P-C4' energy: -80.389 flat angles P-C4'-P energy: -55.382 tors. eta vs tors. theta energy: -93.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1165.906662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.906662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.906662 (E_RNA) where: Base-Base interactions energy: -829.344 where: short stacking energy: -350.822 Base-Backbone interact. energy: -0.902 local terms energy: -335.660781 where: bonds (distance) C4'-P energy: -52.617 bonds (distance) P-C4' energy: -74.838 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -43.370 tors. eta vs tors. theta energy: -91.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1218.398350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.398350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.398350 (E_RNA) where: Base-Base interactions energy: -853.991 where: short stacking energy: -354.690 Base-Backbone interact. energy: -0.484 local terms energy: -363.923709 where: bonds (distance) C4'-P energy: -67.619 bonds (distance) P-C4' energy: -64.015 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -47.319 tors. eta vs tors. theta energy: -106.153 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: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1082.771010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.771010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.771010 (E_RNA) where: Base-Base interactions energy: -752.677 where: short stacking energy: -319.483 Base-Backbone interact. energy: -0.877 local terms energy: -329.217328 where: bonds (distance) C4'-P energy: -67.561 bonds (distance) P-C4' energy: -66.472 flat angles C4'-P-C4' energy: -76.075 flat angles P-C4'-P energy: -40.508 tors. eta vs tors. theta energy: -78.602 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: 5 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1044.456276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.456276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.456276 (E_RNA) where: Base-Base interactions energy: -728.833 where: short stacking energy: -303.006 Base-Backbone interact. energy: 0.265 local terms energy: -315.888538 where: bonds (distance) C4'-P energy: -50.059 bonds (distance) P-C4' energy: -63.187 flat angles C4'-P-C4' energy: -69.283 flat angles P-C4'-P energy: -50.680 tors. eta vs tors. theta energy: -82.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -979.143799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.143799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.143799 (E_RNA) where: Base-Base interactions energy: -685.036 where: short stacking energy: -295.652 Base-Backbone interact. energy: -2.722 local terms energy: -291.385097 where: bonds (distance) C4'-P energy: -55.629 bonds (distance) P-C4' energy: -59.030 flat angles C4'-P-C4' energy: -59.307 flat angles P-C4'-P energy: -42.537 tors. eta vs tors. theta energy: -74.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -828.736161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.736161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.736161 (E_RNA) where: Base-Base interactions energy: -549.746 where: short stacking energy: -250.822 Base-Backbone interact. energy: -1.436 local terms energy: -277.554529 where: bonds (distance) C4'-P energy: -55.741 bonds (distance) P-C4' energy: -62.040 flat angles C4'-P-C4' energy: -63.582 flat angles P-C4'-P energy: -42.444 tors. eta vs tors. theta energy: -53.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -677.547640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.547640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.547640 (E_RNA) where: Base-Base interactions energy: -420.870 where: short stacking energy: -191.295 Base-Backbone interact. energy: -1.087 local terms energy: -255.590510 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -75.041 flat angles C4'-P-C4' energy: -51.742 flat angles P-C4'-P energy: -21.923 tors. eta vs tors. theta energy: -49.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -410.860422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.860422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.860422 (E_RNA) where: Base-Base interactions energy: -196.722 where: short stacking energy: -117.770 Base-Backbone interact. energy: 0.027 local terms energy: -214.165249 where: bonds (distance) C4'-P energy: -42.499 bonds (distance) P-C4' energy: -62.522 flat angles C4'-P-C4' energy: -53.199 flat angles P-C4'-P energy: -35.919 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1339.556149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.556149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.556149 (E_RNA) where: Base-Base interactions energy: -952.705 where: short stacking energy: -391.161 Base-Backbone interact. energy: 0.017 local terms energy: -386.868940 where: bonds (distance) C4'-P energy: -71.472 bonds (distance) P-C4' energy: -65.359 flat angles C4'-P-C4' energy: -79.751 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -113.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1260.700164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.700164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.700164 (E_RNA) where: Base-Base interactions energy: -907.283 where: short stacking energy: -371.635 Base-Backbone interact. energy: -1.023 local terms energy: -352.394088 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -75.415 flat angles P-C4'-P energy: -51.442 tors. eta vs tors. theta energy: -92.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1169.849598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.849598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.849598 (E_RNA) where: Base-Base interactions energy: -833.628 where: short stacking energy: -332.790 Base-Backbone interact. energy: 0.054 local terms energy: -336.275672 where: bonds (distance) C4'-P energy: -71.659 bonds (distance) P-C4' energy: -61.111 flat angles C4'-P-C4' energy: -72.338 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -82.304 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: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1189.035416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.035416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.035416 (E_RNA) where: Base-Base interactions energy: -862.738 where: short stacking energy: -353.902 Base-Backbone interact. energy: -2.048 local terms energy: -324.249123 where: bonds (distance) C4'-P energy: -51.094 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -72.027 flat angles P-C4'-P energy: -42.447 tors. eta vs tors. theta energy: -98.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1079.618627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.618627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.618627 (E_RNA) where: Base-Base interactions energy: -752.345 where: short stacking energy: -318.977 Base-Backbone interact. energy: -2.419 local terms energy: -324.854060 where: bonds (distance) C4'-P energy: -60.603 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -72.540 flat angles P-C4'-P energy: -44.828 tors. eta vs tors. theta energy: -84.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1039.012099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.012099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.012099 (E_RNA) where: Base-Base interactions energy: -722.320 where: short stacking energy: -316.204 Base-Backbone interact. energy: -1.531 local terms energy: -315.161459 where: bonds (distance) C4'-P energy: -62.437 bonds (distance) P-C4' energy: -55.461 flat angles C4'-P-C4' energy: -62.599 flat angles P-C4'-P energy: -51.735 tors. eta vs tors. theta energy: -82.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -973.132916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.132916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.132916 (E_RNA) where: Base-Base interactions energy: -682.435 where: short stacking energy: -286.383 Base-Backbone interact. energy: -0.693 local terms energy: -290.004360 where: bonds (distance) C4'-P energy: -47.859 bonds (distance) P-C4' energy: -57.712 flat angles C4'-P-C4' energy: -75.768 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -64.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -805.615449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.615449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.615449 (E_RNA) where: Base-Base interactions energy: -548.339 where: short stacking energy: -245.831 Base-Backbone interact. energy: 1.335 local terms energy: -258.612105 where: bonds (distance) C4'-P energy: -48.395 bonds (distance) P-C4' energy: -65.602 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -40.200 tors. eta vs tors. theta energy: -40.949 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: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -663.748211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.748211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.748211 (E_RNA) where: Base-Base interactions energy: -409.023 where: short stacking energy: -193.014 Base-Backbone interact. energy: 5.151 local terms energy: -259.875961 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -68.827 flat angles P-C4'-P energy: -43.763 tors. eta vs tors. theta energy: -33.089 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: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -412.864691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.864691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.864691 (E_RNA) where: Base-Base interactions energy: -215.517 where: short stacking energy: -133.926 Base-Backbone interact. energy: 5.552 local terms energy: -202.898784 where: bonds (distance) C4'-P energy: -46.709 bonds (distance) P-C4' energy: -65.255 flat angles C4'-P-C4' energy: -50.612 flat angles P-C4'-P energy: -24.939 tors. eta vs tors. theta energy: -15.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1322.274140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.274140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.274140 (E_RNA) where: Base-Base interactions energy: -942.898 where: short stacking energy: -384.955 Base-Backbone interact. energy: 0.893 local terms energy: -380.269484 where: bonds (distance) C4'-P energy: -69.604 bonds (distance) P-C4' energy: -64.393 flat angles C4'-P-C4' energy: -76.203 flat angles P-C4'-P energy: -58.878 tors. eta vs tors. theta energy: -111.192 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: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1258.788196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.788196 (E_RNA) where: Base-Base interactions energy: -901.881 where: short stacking energy: -343.221 Base-Backbone interact. energy: 2.196 local terms energy: -359.102860 where: bonds (distance) C4'-P energy: -73.544 bonds (distance) P-C4' energy: -75.806 flat angles C4'-P-C4' energy: -73.224 flat angles P-C4'-P energy: -52.807 tors. eta vs tors. theta energy: -83.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1239.954501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.954501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.954501 (E_RNA) where: Base-Base interactions energy: -873.991 where: short stacking energy: -373.933 Base-Backbone interact. energy: -1.362 local terms energy: -364.601689 where: bonds (distance) C4'-P energy: -61.121 bonds (distance) P-C4' energy: -70.714 flat angles C4'-P-C4' energy: -70.968 flat angles P-C4'-P energy: -52.537 tors. eta vs tors. theta energy: -109.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1144.877800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.877800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.877800 (E_RNA) where: Base-Base interactions energy: -787.030 where: short stacking energy: -315.655 Base-Backbone interact. energy: -0.074 local terms energy: -357.773233 where: bonds (distance) C4'-P energy: -64.367 bonds (distance) P-C4' energy: -69.476 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -86.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1079.866510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.866510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.866510 (E_RNA) where: Base-Base interactions energy: -773.071 where: short stacking energy: -310.852 Base-Backbone interact. energy: 0.587 local terms energy: -307.382900 where: bonds (distance) C4'-P energy: -53.967 bonds (distance) P-C4' energy: -63.712 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -39.546 tors. eta vs tors. theta energy: -74.274 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: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1066.477292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.477292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.477292 (E_RNA) where: Base-Base interactions energy: -758.700 where: short stacking energy: -312.441 Base-Backbone interact. energy: 1.330 local terms energy: -309.106952 where: bonds (distance) C4'-P energy: -67.061 bonds (distance) P-C4' energy: -58.872 flat angles C4'-P-C4' energy: -66.698 flat angles P-C4'-P energy: -42.017 tors. eta vs tors. theta energy: -74.459 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: 272 Temperature: 1.200000 Total energy: -951.288620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.288620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.288620 (E_RNA) where: Base-Base interactions energy: -657.458 where: short stacking energy: -292.759 Base-Backbone interact. energy: 2.094 local terms energy: -295.924842 where: bonds (distance) C4'-P energy: -53.826 bonds (distance) P-C4' energy: -68.945 flat angles C4'-P-C4' energy: -52.125 flat angles P-C4'-P energy: -41.764 tors. eta vs tors. theta energy: -79.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -726.400216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.400216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.400216 (E_RNA) where: Base-Base interactions energy: -470.702 where: short stacking energy: -194.862 Base-Backbone interact. energy: -0.415 local terms energy: -255.283377 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -65.761 flat angles C4'-P-C4' energy: -52.568 flat angles P-C4'-P energy: -41.559 tors. eta vs tors. theta energy: -36.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -655.092829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.092829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.092829 (E_RNA) where: Base-Base interactions energy: -422.886 where: short stacking energy: -199.880 Base-Backbone interact. energy: -2.363 local terms energy: -229.843548 where: bonds (distance) C4'-P energy: -59.448 bonds (distance) P-C4' energy: -61.267 flat angles C4'-P-C4' energy: -46.510 flat angles P-C4'-P energy: -28.640 tors. eta vs tors. theta energy: -33.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -389.430424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.430424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.430424 (E_RNA) where: Base-Base interactions energy: -185.151 where: short stacking energy: -107.910 Base-Backbone interact. energy: 2.497 local terms energy: -206.775829 where: bonds (distance) C4'-P energy: -56.136 bonds (distance) P-C4' energy: -60.691 flat angles C4'-P-C4' energy: -57.670 flat angles P-C4'-P energy: -22.550 tors. eta vs tors. theta energy: -9.728 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: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1340.039914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.039914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.039914 (E_RNA) where: Base-Base interactions energy: -941.514 where: short stacking energy: -393.164 Base-Backbone interact. energy: -1.394 local terms energy: -397.132437 where: bonds (distance) C4'-P energy: -67.429 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -79.969 flat angles P-C4'-P energy: -65.670 tors. eta vs tors. theta energy: -112.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1240.385155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.385155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.385155 (E_RNA) where: Base-Base interactions energy: -894.390 where: short stacking energy: -354.572 Base-Backbone interact. energy: -1.491 local terms energy: -344.503980 where: bonds (distance) C4'-P energy: -69.784 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -76.895 flat angles P-C4'-P energy: -52.242 tors. eta vs tors. theta energy: -81.543 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: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1217.292170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.292170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.292170 (E_RNA) where: Base-Base interactions energy: -844.225 where: short stacking energy: -353.205 Base-Backbone interact. energy: -1.315 local terms energy: -371.752153 where: bonds (distance) C4'-P energy: -59.145 bonds (distance) P-C4' energy: -73.544 flat angles C4'-P-C4' energy: -78.170 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -103.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1100.578781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.578781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.578781 (E_RNA) where: Base-Base interactions energy: -773.789 where: short stacking energy: -335.216 Base-Backbone interact. energy: -1.365 local terms energy: -325.424864 where: bonds (distance) C4'-P energy: -65.677 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -76.127 flat angles P-C4'-P energy: -43.403 tors. eta vs tors. theta energy: -80.421 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: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1073.271405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.271405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.271405 (E_RNA) where: Base-Base interactions energy: -753.094 where: short stacking energy: -310.678 Base-Backbone interact. energy: -0.746 local terms energy: -319.431085 where: bonds (distance) C4'-P energy: -68.164 bonds (distance) P-C4' energy: -51.457 flat angles C4'-P-C4' energy: -74.225 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: -83.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -989.908107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.908107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.908107 (E_RNA) where: Base-Base interactions energy: -669.662 where: short stacking energy: -304.081 Base-Backbone interact. energy: -1.039 local terms energy: -319.206176 where: bonds (distance) C4'-P energy: -62.808 bonds (distance) P-C4' energy: -68.934 flat angles C4'-P-C4' energy: -71.757 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -80.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1035.787884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.787884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.787884 (E_RNA) where: Base-Base interactions energy: -741.167 where: short stacking energy: -296.617 Base-Backbone interact. energy: 4.832 local terms energy: -299.452597 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -60.883 flat angles P-C4'-P energy: -38.341 tors. eta vs tors. theta energy: -77.236 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: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -684.610483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.610483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.610483 (E_RNA) where: Base-Base interactions energy: -422.106 where: short stacking energy: -204.963 Base-Backbone interact. energy: 2.344 local terms energy: -264.848651 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -73.911 flat angles C4'-P-C4' energy: -70.677 flat angles P-C4'-P energy: -29.575 tors. eta vs tors. theta energy: -35.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -632.286120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.286120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.286120 (E_RNA) where: Base-Base interactions energy: -391.204 where: short stacking energy: -190.589 Base-Backbone interact. energy: -0.620 local terms energy: -240.461539 where: bonds (distance) C4'-P energy: -57.293 bonds (distance) P-C4' energy: -65.424 flat angles C4'-P-C4' energy: -51.869 flat angles P-C4'-P energy: -38.955 tors. eta vs tors. theta energy: -26.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -426.340802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.340802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.340802 (E_RNA) where: Base-Base interactions energy: -211.770 where: short stacking energy: -136.748 Base-Backbone interact. energy: 0.646 local terms energy: -215.216799 where: bonds (distance) C4'-P energy: -65.162 bonds (distance) P-C4' energy: -51.921 flat angles C4'-P-C4' energy: -43.620 flat angles P-C4'-P energy: -35.771 tors. eta vs tors. theta energy: -18.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1353.643324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.643324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.643324 (E_RNA) where: Base-Base interactions energy: -960.504 where: short stacking energy: -401.815 Base-Backbone interact. energy: -2.034 local terms energy: -391.105990 where: bonds (distance) C4'-P energy: -69.179 bonds (distance) P-C4' energy: -70.636 flat angles C4'-P-C4' energy: -86.561 flat angles P-C4'-P energy: -52.522 tors. eta vs tors. theta energy: -112.208 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: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1238.743280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.743280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.743280 (E_RNA) where: Base-Base interactions energy: -897.678 where: short stacking energy: -352.181 Base-Backbone interact. energy: -0.894 local terms energy: -340.171011 where: bonds (distance) C4'-P energy: -67.535 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -70.131 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -83.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1233.785076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.785076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.785076 (E_RNA) where: Base-Base interactions energy: -884.936 where: short stacking energy: -376.774 Base-Backbone interact. energy: -0.511 local terms energy: -348.338563 where: bonds (distance) C4'-P energy: -67.075 bonds (distance) P-C4' energy: -58.879 flat angles C4'-P-C4' energy: -72.996 flat angles P-C4'-P energy: -48.097 tors. eta vs tors. theta energy: -101.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1128.402592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.402592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.402592 (E_RNA) where: Base-Base interactions energy: -788.349 where: short stacking energy: -358.509 Base-Backbone interact. energy: -1.611 local terms energy: -338.441966 where: bonds (distance) C4'-P energy: -63.399 bonds (distance) P-C4' energy: -66.309 flat angles C4'-P-C4' energy: -74.626 flat angles P-C4'-P energy: -44.288 tors. eta vs tors. theta energy: -89.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1098.257730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.257730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.257730 (E_RNA) where: Base-Base interactions energy: -769.179 where: short stacking energy: -324.268 Base-Backbone interact. energy: 0.178 local terms energy: -329.257216 where: bonds (distance) C4'-P energy: -61.349 bonds (distance) P-C4' energy: -66.694 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -47.361 tors. eta vs tors. theta energy: -84.041 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: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -992.299333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.299333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.299333 (E_RNA) where: Base-Base interactions energy: -704.994 where: short stacking energy: -307.640 Base-Backbone interact. energy: -0.677 local terms energy: -286.627678 where: bonds (distance) C4'-P energy: -43.938 bonds (distance) P-C4' energy: -48.801 flat angles C4'-P-C4' energy: -74.211 flat angles P-C4'-P energy: -42.753 tors. eta vs tors. theta energy: -76.924 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: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1018.870860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.870860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.870860 (E_RNA) where: Base-Base interactions energy: -716.621 where: short stacking energy: -295.410 Base-Backbone interact. energy: -0.878 local terms energy: -301.372004 where: bonds (distance) C4'-P energy: -54.302 bonds (distance) P-C4' energy: -61.361 flat angles C4'-P-C4' energy: -65.745 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -78.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -753.802996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.802996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.802996 (E_RNA) where: Base-Base interactions energy: -517.179 where: short stacking energy: -210.899 Base-Backbone interact. energy: 0.415 local terms energy: -237.038738 where: bonds (distance) C4'-P energy: -45.258 bonds (distance) P-C4' energy: -54.676 flat angles C4'-P-C4' energy: -62.795 flat angles P-C4'-P energy: -34.777 tors. eta vs tors. theta energy: -39.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -608.941807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.941807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.941807 (E_RNA) where: Base-Base interactions energy: -383.924 where: short stacking energy: -187.011 Base-Backbone interact. energy: 0.689 local terms energy: -225.707476 where: bonds (distance) C4'-P energy: -50.784 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -60.565 flat angles P-C4'-P energy: -33.628 tors. eta vs tors. theta energy: -24.411 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: 274 Temperature: 1.350000 Total energy: -473.444269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.444269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.444269 (E_RNA) where: Base-Base interactions energy: -265.410 where: short stacking energy: -148.138 Base-Backbone interact. energy: -1.454 local terms energy: -206.580043 where: bonds (distance) C4'-P energy: -61.639 bonds (distance) P-C4' energy: -45.597 flat angles C4'-P-C4' energy: -59.882 flat angles P-C4'-P energy: -28.917 tors. eta vs tors. theta energy: -10.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1335.039074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.039074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.039074 (E_RNA) where: Base-Base interactions energy: -948.609 where: short stacking energy: -395.134 Base-Backbone interact. energy: -1.352 local terms energy: -385.078263 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -74.753 flat angles P-C4'-P energy: -58.319 tors. eta vs tors. theta energy: -112.508 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: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1248.199777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.199777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.199777 (E_RNA) where: Base-Base interactions energy: -901.867 where: short stacking energy: -358.517 Base-Backbone interact. energy: -1.671 local terms energy: -344.662120 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -59.577 flat angles C4'-P-C4' energy: -76.712 flat angles P-C4'-P energy: -52.775 tors. eta vs tors. theta energy: -85.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1230.035773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.035773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.035773 (E_RNA) where: Base-Base interactions energy: -868.660 where: short stacking energy: -364.108 Base-Backbone interact. energy: 1.273 local terms energy: -362.649183 where: bonds (distance) C4'-P energy: -68.892 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -78.931 flat angles P-C4'-P energy: -48.631 tors. eta vs tors. theta energy: -101.205 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: 4, replica: 5 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1117.454269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.454269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.454269 (E_RNA) where: Base-Base interactions energy: -767.768 where: short stacking energy: -353.290 Base-Backbone interact. energy: -0.717 local terms energy: -348.968706 where: bonds (distance) C4'-P energy: -59.435 bonds (distance) P-C4' energy: -63.797 flat angles C4'-P-C4' energy: -82.428 flat angles P-C4'-P energy: -50.186 tors. eta vs tors. theta energy: -93.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1082.829254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.829254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.829254 (E_RNA) where: Base-Base interactions energy: -762.434 where: short stacking energy: -326.860 Base-Backbone interact. energy: -0.551 local terms energy: -319.844761 where: bonds (distance) C4'-P energy: -67.604 bonds (distance) P-C4' energy: -66.460 flat angles C4'-P-C4' energy: -69.522 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -72.993 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: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1037.920916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.920916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.920916 (E_RNA) where: Base-Base interactions energy: -714.771 where: short stacking energy: -302.933 Base-Backbone interact. energy: -1.869 local terms energy: -321.281195 where: bonds (distance) C4'-P energy: -50.547 bonds (distance) P-C4' energy: -73.238 flat angles C4'-P-C4' energy: -73.719 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -73.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -957.976429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.976429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.976429 (E_RNA) where: Base-Base interactions energy: -640.485 where: short stacking energy: -285.124 Base-Backbone interact. energy: -1.405 local terms energy: -316.086141 where: bonds (distance) C4'-P energy: -57.790 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -62.914 flat angles P-C4'-P energy: -42.445 tors. eta vs tors. theta energy: -83.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -803.140582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.140582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.140582 (E_RNA) where: Base-Base interactions energy: -539.858 where: short stacking energy: -224.059 Base-Backbone interact. energy: -0.904 local terms energy: -262.378983 where: bonds (distance) C4'-P energy: -63.797 bonds (distance) P-C4' energy: -54.982 flat angles C4'-P-C4' energy: -52.426 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: -55.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -623.866559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.866559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.866559 (E_RNA) where: Base-Base interactions energy: -395.522 where: short stacking energy: -184.445 Base-Backbone interact. energy: -1.123 local terms energy: -227.221414 where: bonds (distance) C4'-P energy: -49.732 bonds (distance) P-C4' energy: -69.039 flat angles C4'-P-C4' energy: -56.188 flat angles P-C4'-P energy: -29.971 tors. eta vs tors. theta energy: -22.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -439.426452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.426452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.426452 (E_RNA) where: Base-Base interactions energy: -246.562 where: short stacking energy: -127.746 Base-Backbone interact. energy: -1.169 local terms energy: -191.694501 where: bonds (distance) C4'-P energy: -47.995 bonds (distance) P-C4' energy: -45.272 flat angles C4'-P-C4' energy: -54.470 flat angles P-C4'-P energy: -35.721 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1336.774895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.774895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.774895 (E_RNA) where: Base-Base interactions energy: -958.961 where: short stacking energy: -400.301 Base-Backbone interact. energy: -0.626 local terms energy: -377.188231 where: bonds (distance) C4'-P energy: -62.051 bonds (distance) P-C4' energy: -69.881 flat angles C4'-P-C4' energy: -82.599 flat angles P-C4'-P energy: -53.663 tors. eta vs tors. theta energy: -108.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1258.239399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.239399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.239399 (E_RNA) where: Base-Base interactions energy: -913.990 where: short stacking energy: -365.023 Base-Backbone interact. energy: -1.376 local terms energy: -342.873175 where: bonds (distance) C4'-P energy: -64.607 bonds (distance) P-C4' energy: -66.242 flat angles C4'-P-C4' energy: -77.473 flat angles P-C4'-P energy: -42.760 tors. eta vs tors. theta energy: -91.791 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: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1211.866986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.866986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.866986 (E_RNA) where: Base-Base interactions energy: -861.411 where: short stacking energy: -349.466 Base-Backbone interact. energy: -1.133 local terms energy: -349.323930 where: bonds (distance) C4'-P energy: -62.498 bonds (distance) P-C4' energy: -63.006 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -93.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1124.322109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.322109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.322109 (E_RNA) where: Base-Base interactions energy: -806.932 where: short stacking energy: -349.940 Base-Backbone interact. energy: -0.296 local terms energy: -317.094762 where: bonds (distance) C4'-P energy: -65.211 bonds (distance) P-C4' energy: -58.044 flat angles C4'-P-C4' energy: -71.693 flat angles P-C4'-P energy: -35.445 tors. eta vs tors. theta energy: -86.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1083.120685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.120685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.120685 (E_RNA) where: Base-Base interactions energy: -753.010 where: short stacking energy: -329.376 Base-Backbone interact. energy: 0.451 local terms energy: -330.562189 where: bonds (distance) C4'-P energy: -60.083 bonds (distance) P-C4' energy: -68.175 flat angles C4'-P-C4' energy: -68.499 flat angles P-C4'-P energy: -40.005 tors. eta vs tors. theta energy: -93.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1040.891327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.891327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.891327 (E_RNA) where: Base-Base interactions energy: -714.802 where: short stacking energy: -289.298 Base-Backbone interact. energy: -2.965 local terms energy: -323.124410 where: bonds (distance) C4'-P energy: -57.752 bonds (distance) P-C4' energy: -64.079 flat angles C4'-P-C4' energy: -70.648 flat angles P-C4'-P energy: -51.759 tors. eta vs tors. theta energy: -78.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -979.211347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.211347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.211347 (E_RNA) where: Base-Base interactions energy: -672.308 where: short stacking energy: -298.916 Base-Backbone interact. energy: 0.875 local terms energy: -307.778059 where: bonds (distance) C4'-P energy: -50.827 bonds (distance) P-C4' energy: -62.831 flat angles C4'-P-C4' energy: -73.747 flat angles P-C4'-P energy: -47.784 tors. eta vs tors. theta energy: -72.590 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: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -731.616333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.616333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.616333 (E_RNA) where: Base-Base interactions energy: -470.791 where: short stacking energy: -203.537 Base-Backbone interact. energy: -0.142 local terms energy: -260.683773 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -38.216 tors. eta vs tors. theta energy: -38.516 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: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -460.654973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.654973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.654973 (E_RNA) where: Base-Base interactions energy: -252.983 where: short stacking energy: -158.861 Base-Backbone interact. energy: 6.079 local terms energy: -213.750969 where: bonds (distance) C4'-P energy: -50.521 bonds (distance) P-C4' energy: -67.585 flat angles C4'-P-C4' energy: -55.378 flat angles P-C4'-P energy: -32.673 tors. eta vs tors. theta energy: -7.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -575.330689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.330689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.330689 (E_RNA) where: Base-Base interactions energy: -353.258 where: short stacking energy: -171.001 Base-Backbone interact. energy: 2.102 local terms energy: -224.174817 where: bonds (distance) C4'-P energy: -55.547 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -56.297 flat angles P-C4'-P energy: -31.727 tors. eta vs tors. theta energy: -27.312 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1330.288959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.288959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.288959 (E_RNA) where: Base-Base interactions energy: -955.586 where: short stacking energy: -392.932 Base-Backbone interact. energy: -1.120 local terms energy: -373.582255 where: bonds (distance) C4'-P energy: -64.132 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -78.189 flat angles P-C4'-P energy: -52.765 tors. eta vs tors. theta energy: -110.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1249.203659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.203659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.203659 (E_RNA) where: Base-Base interactions energy: -891.455 where: short stacking energy: -347.792 Base-Backbone interact. energy: -2.197 local terms energy: -355.552074 where: bonds (distance) C4'-P energy: -75.420 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -44.611 tors. eta vs tors. theta energy: -87.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1229.724682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.724682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.724682 (E_RNA) where: Base-Base interactions energy: -878.506 where: short stacking energy: -377.601 Base-Backbone interact. energy: 0.805 local terms energy: -352.023624 where: bonds (distance) C4'-P energy: -65.481 bonds (distance) P-C4' energy: -56.584 flat angles C4'-P-C4' energy: -78.143 flat angles P-C4'-P energy: -56.656 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: 4, replica: 5 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1121.555973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.555973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.555973 (E_RNA) where: Base-Base interactions energy: -775.313 where: short stacking energy: -329.472 Base-Backbone interact. energy: 0.391 local terms energy: -346.633223 where: bonds (distance) C4'-P energy: -61.460 bonds (distance) P-C4' energy: -70.083 flat angles C4'-P-C4' energy: -68.188 flat angles P-C4'-P energy: -58.669 tors. eta vs tors. theta energy: -88.232 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: 8 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1110.098574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.098574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.098574 (E_RNA) where: Base-Base interactions energy: -757.117 where: short stacking energy: -317.614 Base-Backbone interact. energy: -1.743 local terms energy: -351.238526 where: bonds (distance) C4'-P energy: -59.295 bonds (distance) P-C4' energy: -69.899 flat angles C4'-P-C4' energy: -77.965 flat angles P-C4'-P energy: -54.873 tors. eta vs tors. theta energy: -89.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1037.456898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.456898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.456898 (E_RNA) where: Base-Base interactions energy: -726.205 where: short stacking energy: -309.364 Base-Backbone interact. energy: -0.399 local terms energy: -310.853199 where: bonds (distance) C4'-P energy: -64.787 bonds (distance) P-C4' energy: -47.738 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -45.575 tors. eta vs tors. theta energy: -81.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -951.554005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.554005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.554005 (E_RNA) where: Base-Base interactions energy: -637.573 where: short stacking energy: -286.696 Base-Backbone interact. energy: -0.182 local terms energy: -313.798802 where: bonds (distance) C4'-P energy: -64.678 bonds (distance) P-C4' energy: -59.348 flat angles C4'-P-C4' energy: -69.700 flat angles P-C4'-P energy: -43.314 tors. eta vs tors. theta energy: -76.759 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: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -768.041871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.041871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.041871 (E_RNA) where: Base-Base interactions energy: -485.852 where: short stacking energy: -224.848 Base-Backbone interact. energy: 0.027 local terms energy: -282.217505 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -63.355 flat angles C4'-P-C4' energy: -63.025 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -57.894 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: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -432.462000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.462000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.462000 (E_RNA) where: Base-Base interactions energy: -213.653 where: short stacking energy: -115.961 Base-Backbone interact. energy: 0.920 local terms energy: -219.728668 where: bonds (distance) C4'-P energy: -61.841 bonds (distance) P-C4' energy: -65.941 flat angles C4'-P-C4' energy: -52.513 flat angles P-C4'-P energy: -30.901 tors. eta vs tors. theta energy: -8.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -560.908684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.908684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.908684 (E_RNA) where: Base-Base interactions energy: -339.355 where: short stacking energy: -160.871 Base-Backbone interact. energy: 0.117 local terms energy: -221.670707 where: bonds (distance) C4'-P energy: -59.720 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -51.298 flat angles P-C4'-P energy: -33.841 tors. eta vs tors. theta energy: -17.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1351.247493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.247493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.247493 (E_RNA) where: Base-Base interactions energy: -960.594 where: short stacking energy: -398.848 Base-Backbone interact. energy: -0.685 local terms energy: -389.968453 where: bonds (distance) C4'-P energy: -70.239 bonds (distance) P-C4' energy: -73.887 flat angles C4'-P-C4' energy: -71.283 flat angles P-C4'-P energy: -61.466 tors. eta vs tors. theta energy: -113.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1268.389501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.389501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.389501 (E_RNA) where: Base-Base interactions energy: -919.544 where: short stacking energy: -374.299 Base-Backbone interact. energy: -1.517 local terms energy: -347.328696 where: bonds (distance) C4'-P energy: -68.765 bonds (distance) P-C4' energy: -66.324 flat angles C4'-P-C4' energy: -73.151 flat angles P-C4'-P energy: -52.240 tors. eta vs tors. theta energy: -86.848 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: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1216.760066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.760066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.760066 (E_RNA) where: Base-Base interactions energy: -859.386 where: short stacking energy: -372.758 Base-Backbone interact. energy: -0.824 local terms energy: -356.550365 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -74.740 flat angles C4'-P-C4' energy: -69.633 flat angles P-C4'-P energy: -51.845 tors. eta vs tors. theta energy: -96.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1117.495236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.495236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.495236 (E_RNA) where: Base-Base interactions energy: -780.547 where: short stacking energy: -334.606 Base-Backbone interact. energy: 2.188 local terms energy: -339.136168 where: bonds (distance) C4'-P energy: -72.609 bonds (distance) P-C4' energy: -66.121 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: -87.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1135.175709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.175709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.175709 (E_RNA) where: Base-Base interactions energy: -802.856 where: short stacking energy: -349.476 Base-Backbone interact. energy: -0.591 local terms energy: -331.728681 where: bonds (distance) C4'-P energy: -53.281 bonds (distance) P-C4' energy: -61.774 flat angles C4'-P-C4' energy: -76.876 flat angles P-C4'-P energy: -47.569 tors. eta vs tors. theta energy: -92.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1059.837814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.837814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.837814 (E_RNA) where: Base-Base interactions energy: -734.186 where: short stacking energy: -299.788 Base-Backbone interact. energy: -1.691 local terms energy: -323.960863 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -61.807 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -87.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -943.864180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.864180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.864180 (E_RNA) where: Base-Base interactions energy: -649.239 where: short stacking energy: -304.069 Base-Backbone interact. energy: -1.119 local terms energy: -293.505817 where: bonds (distance) C4'-P energy: -61.476 bonds (distance) P-C4' energy: -51.113 flat angles C4'-P-C4' energy: -59.633 flat angles P-C4'-P energy: -42.306 tors. eta vs tors. theta energy: -78.977 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: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -732.145093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.145093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.145093 (E_RNA) where: Base-Base interactions energy: -485.545 where: short stacking energy: -238.320 Base-Backbone interact. energy: 0.409 local terms energy: -247.009031 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -65.990 flat angles C4'-P-C4' energy: -57.962 flat angles P-C4'-P energy: -26.780 tors. eta vs tors. theta energy: -47.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -610.696628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.696628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.696628 (E_RNA) where: Base-Base interactions energy: -360.481 where: short stacking energy: -173.325 Base-Backbone interact. energy: -0.577 local terms energy: -249.638017 where: bonds (distance) C4'-P energy: -56.363 bonds (distance) P-C4' energy: -59.200 flat angles C4'-P-C4' energy: -62.899 flat angles P-C4'-P energy: -37.963 tors. eta vs tors. theta energy: -33.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -431.491536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.491536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.491536 (E_RNA) where: Base-Base interactions energy: -227.030 where: short stacking energy: -143.892 Base-Backbone interact. energy: 0.309 local terms energy: -204.770463 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -44.485 flat angles P-C4'-P energy: -27.061 tors. eta vs tors. theta energy: -6.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1343.107970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.107970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.107970 (E_RNA) where: Base-Base interactions energy: -963.943 where: short stacking energy: -410.405 Base-Backbone interact. energy: -1.729 local terms energy: -377.435299 where: bonds (distance) C4'-P energy: -59.424 bonds (distance) P-C4' energy: -66.762 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -61.900 tors. eta vs tors. theta energy: -110.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1268.990515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.990515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.990515 (E_RNA) where: Base-Base interactions energy: -910.120 where: short stacking energy: -371.190 Base-Backbone interact. energy: 0.507 local terms energy: -359.378171 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -71.991 flat angles C4'-P-C4' energy: -72.068 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -96.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1210.361857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.361857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.361857 (E_RNA) where: Base-Base interactions energy: -842.237 where: short stacking energy: -348.158 Base-Backbone interact. energy: -0.884 local terms energy: -367.241563 where: bonds (distance) C4'-P energy: -67.646 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -80.682 flat angles P-C4'-P energy: -51.270 tors. eta vs tors. theta energy: -93.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1177.009347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.009347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.009347 (E_RNA) where: Base-Base interactions energy: -819.212 where: short stacking energy: -358.438 Base-Backbone interact. energy: -2.106 local terms energy: -355.690611 where: bonds (distance) C4'-P energy: -71.703 bonds (distance) P-C4' energy: -52.751 flat angles C4'-P-C4' energy: -76.158 flat angles P-C4'-P energy: -49.805 tors. eta vs tors. theta energy: -105.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1071.092800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.092800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.092800 (E_RNA) where: Base-Base interactions energy: -738.036 where: short stacking energy: -307.898 Base-Backbone interact. energy: -1.573 local terms energy: -331.483733 where: bonds (distance) C4'-P energy: -69.296 bonds (distance) P-C4' energy: -61.154 flat angles C4'-P-C4' energy: -75.834 flat angles P-C4'-P energy: -43.885 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: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1064.645705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.645705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.645705 (E_RNA) where: Base-Base interactions energy: -753.008 where: short stacking energy: -305.339 Base-Backbone interact. energy: 0.962 local terms energy: -312.599250 where: bonds (distance) C4'-P energy: -62.246 bonds (distance) P-C4' energy: -52.590 flat angles C4'-P-C4' energy: -74.437 flat angles P-C4'-P energy: -45.888 tors. eta vs tors. theta energy: -77.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -946.504391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.504391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.504391 (E_RNA) where: Base-Base interactions energy: -644.111 where: short stacking energy: -296.652 Base-Backbone interact. energy: -1.131 local terms energy: -301.261970 where: bonds (distance) C4'-P energy: -64.775 bonds (distance) P-C4' energy: -60.648 flat angles C4'-P-C4' energy: -59.743 flat angles P-C4'-P energy: -38.182 tors. eta vs tors. theta energy: -77.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -766.606134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.606134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.606134 (E_RNA) where: Base-Base interactions energy: -499.091 where: short stacking energy: -221.203 Base-Backbone interact. energy: 0.063 local terms energy: -267.578140 where: bonds (distance) C4'-P energy: -50.521 bonds (distance) P-C4' energy: -62.437 flat angles C4'-P-C4' energy: -63.830 flat angles P-C4'-P energy: -33.937 tors. eta vs tors. theta energy: -56.852 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: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -597.307829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.307829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.307829 (E_RNA) where: Base-Base interactions energy: -356.594 where: short stacking energy: -174.621 Base-Backbone interact. energy: -1.346 local terms energy: -239.367454 where: bonds (distance) C4'-P energy: -55.384 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -62.114 flat angles P-C4'-P energy: -36.918 tors. eta vs tors. theta energy: -20.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -418.890976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.890976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.890976 (E_RNA) where: Base-Base interactions energy: -210.126 where: short stacking energy: -136.004 Base-Backbone interact. energy: 2.104 local terms energy: -210.868965 where: bonds (distance) C4'-P energy: -63.489 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -61.599 flat angles P-C4'-P energy: -19.834 tors. eta vs tors. theta energy: -5.562 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: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1337.581441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.581441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.581441 (E_RNA) where: Base-Base interactions energy: -946.662 where: short stacking energy: -397.122 Base-Backbone interact. energy: -0.854 local terms energy: -390.064877 where: bonds (distance) C4'-P energy: -75.026 bonds (distance) P-C4' energy: -61.473 flat angles C4'-P-C4' energy: -84.388 flat angles P-C4'-P energy: -54.372 tors. eta vs tors. theta energy: -114.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1254.722450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.722450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.722450 (E_RNA) where: Base-Base interactions energy: -905.911 where: short stacking energy: -361.774 Base-Backbone interact. energy: 2.558 local terms energy: -351.369526 where: bonds (distance) C4'-P energy: -65.411 bonds (distance) P-C4' energy: -74.210 flat angles C4'-P-C4' energy: -77.657 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -85.292 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: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1209.548297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.548297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.548297 (E_RNA) where: Base-Base interactions energy: -864.026 where: short stacking energy: -346.834 Base-Backbone interact. energy: -1.401 local terms energy: -344.121549 where: bonds (distance) C4'-P energy: -62.734 bonds (distance) P-C4' energy: -65.076 flat angles C4'-P-C4' energy: -73.477 flat angles P-C4'-P energy: -48.171 tors. eta vs tors. theta energy: -94.664 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1147.093492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.093492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.093492 (E_RNA) where: Base-Base interactions energy: -814.435 where: short stacking energy: -337.517 Base-Backbone interact. energy: 0.068 local terms energy: -332.727227 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -64.506 flat angles C4'-P-C4' energy: -85.042 flat angles P-C4'-P energy: -33.946 tors. eta vs tors. theta energy: -93.232 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: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1072.417547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.417547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.417547 (E_RNA) where: Base-Base interactions energy: -741.243 where: short stacking energy: -322.035 Base-Backbone interact. energy: -2.287 local terms energy: -328.886756 where: bonds (distance) C4'-P energy: -60.165 bonds (distance) P-C4' energy: -60.048 flat angles C4'-P-C4' energy: -68.720 flat angles P-C4'-P energy: -46.848 tors. eta vs tors. theta energy: -93.106 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: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1055.765891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.765891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.765891 (E_RNA) where: Base-Base interactions energy: -746.844 where: short stacking energy: -311.467 Base-Backbone interact. energy: -2.008 local terms energy: -306.913977 where: bonds (distance) C4'-P energy: -62.070 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -68.547 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -74.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -984.036423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.036423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.036423 (E_RNA) where: Base-Base interactions energy: -674.564 where: short stacking energy: -317.888 Base-Backbone interact. energy: -1.279 local terms energy: -308.193517 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -59.004 flat angles C4'-P-C4' energy: -64.031 flat angles P-C4'-P energy: -48.102 tors. eta vs tors. theta energy: -78.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -788.696338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.696338 (E_RNA) where: Base-Base interactions energy: -516.548 where: short stacking energy: -244.335 Base-Backbone interact. energy: 1.904 local terms energy: -274.052609 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -76.007 flat angles C4'-P-C4' energy: -62.638 flat angles P-C4'-P energy: -27.806 tors. eta vs tors. theta energy: -53.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -614.872945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.872945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.872945 (E_RNA) where: Base-Base interactions energy: -383.644 where: short stacking energy: -197.646 Base-Backbone interact. energy: -1.337 local terms energy: -229.891785 where: bonds (distance) C4'-P energy: -59.600 bonds (distance) P-C4' energy: -51.314 flat angles C4'-P-C4' energy: -54.530 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -22.580 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: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -403.916470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.916470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.916470 (E_RNA) where: Base-Base interactions energy: -189.389 where: short stacking energy: -123.119 Base-Backbone interact. energy: 0.810 local terms energy: -215.338026 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -61.725 flat angles C4'-P-C4' energy: -46.647 flat angles P-C4'-P energy: -37.679 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1339.797913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.797913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.797913 (E_RNA) where: Base-Base interactions energy: -960.106 where: short stacking energy: -402.905 Base-Backbone interact. energy: -1.855 local terms energy: -377.836479 where: bonds (distance) C4'-P energy: -58.742 bonds (distance) P-C4' energy: -69.005 flat angles C4'-P-C4' energy: -75.700 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -116.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1265.207376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.207376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.207376 (E_RNA) where: Base-Base interactions energy: -910.531 where: short stacking energy: -360.991 Base-Backbone interact. energy: -2.991 local terms energy: -351.685841 where: bonds (distance) C4'-P energy: -61.150 bonds (distance) P-C4' energy: -69.756 flat angles C4'-P-C4' energy: -82.874 flat angles P-C4'-P energy: -49.853 tors. eta vs tors. theta energy: -88.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1213.026519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.026519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.026519 (E_RNA) where: Base-Base interactions energy: -873.478 where: short stacking energy: -358.300 Base-Backbone interact. energy: -0.345 local terms energy: -339.202830 where: bonds (distance) C4'-P energy: -57.398 bonds (distance) P-C4' energy: -68.540 flat angles C4'-P-C4' energy: -65.175 flat angles P-C4'-P energy: -53.470 tors. eta vs tors. theta energy: -94.619 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: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1165.854088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.854088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.854088 (E_RNA) where: Base-Base interactions energy: -830.954 where: short stacking energy: -345.398 Base-Backbone interact. energy: 3.691 local terms energy: -338.590680 where: bonds (distance) C4'-P energy: -56.029 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -73.885 flat angles P-C4'-P energy: -48.987 tors. eta vs tors. theta energy: -95.787 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: 5, replica: 8 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1130.114734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.114734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.114734 (E_RNA) where: Base-Base interactions energy: -802.262 where: short stacking energy: -343.028 Base-Backbone interact. energy: -1.771 local terms energy: -326.081134 where: bonds (distance) C4'-P energy: -66.863 bonds (distance) P-C4' energy: -61.537 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -49.507 tors. eta vs tors. theta energy: -78.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1044.978170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.978170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.978170 (E_RNA) where: Base-Base interactions energy: -725.098 where: short stacking energy: -306.236 Base-Backbone interact. energy: -1.895 local terms energy: -317.985061 where: bonds (distance) C4'-P energy: -55.229 bonds (distance) P-C4' energy: -58.256 flat angles C4'-P-C4' energy: -72.576 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -81.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -963.652054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.652054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.652054 (E_RNA) where: Base-Base interactions energy: -669.880 where: short stacking energy: -303.520 Base-Backbone interact. energy: 3.834 local terms energy: -297.606680 where: bonds (distance) C4'-P energy: -61.714 bonds (distance) P-C4' energy: -44.175 flat angles C4'-P-C4' energy: -60.472 flat angles P-C4'-P energy: -51.367 tors. eta vs tors. theta energy: -79.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -803.705730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.705730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.705730 (E_RNA) where: Base-Base interactions energy: -532.120 where: short stacking energy: -245.357 Base-Backbone interact. energy: -0.482 local terms energy: -271.103411 where: bonds (distance) C4'-P energy: -50.384 bonds (distance) P-C4' energy: -65.257 flat angles C4'-P-C4' energy: -56.417 flat angles P-C4'-P energy: -36.779 tors. eta vs tors. theta energy: -62.266 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: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -656.786184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.786184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.786184 (E_RNA) where: Base-Base interactions energy: -424.275 where: short stacking energy: -199.050 Base-Backbone interact. energy: -0.812 local terms energy: -231.698290 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -61.779 flat angles C4'-P-C4' energy: -45.079 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: -31.772 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: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -421.124342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.124342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.124342 (E_RNA) where: Base-Base interactions energy: -235.190 where: short stacking energy: -130.787 Base-Backbone interact. energy: 0.667 local terms energy: -186.601730 where: bonds (distance) C4'-P energy: -52.692 bonds (distance) P-C4' energy: -49.606 flat angles C4'-P-C4' energy: -37.657 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1352.175923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.175923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.175923 (E_RNA) where: Base-Base interactions energy: -949.492 where: short stacking energy: -391.785 Base-Backbone interact. energy: -0.542 local terms energy: -402.141995 where: bonds (distance) C4'-P energy: -71.641 bonds (distance) P-C4' energy: -72.234 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -57.911 tors. eta vs tors. theta energy: -115.477 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: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1268.853392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.853392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.853392 (E_RNA) where: Base-Base interactions energy: -923.437 where: short stacking energy: -371.042 Base-Backbone interact. energy: -2.769 local terms energy: -342.647186 where: bonds (distance) C4'-P energy: -62.841 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -81.134 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: -85.458 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: 282 Temperature: 1.000000 Total energy: -1191.757752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.757752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.757752 (E_RNA) where: Base-Base interactions energy: -842.569 where: short stacking energy: -369.506 Base-Backbone interact. energy: -3.717 local terms energy: -345.471327 where: bonds (distance) C4'-P energy: -65.079 bonds (distance) P-C4' energy: -66.666 flat angles C4'-P-C4' energy: -73.677 flat angles P-C4'-P energy: -52.084 tors. eta vs tors. theta energy: -87.965 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: 4, replica: 5 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1124.885349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.885349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.885349 (E_RNA) where: Base-Base interactions energy: -799.657 where: short stacking energy: -334.755 Base-Backbone interact. energy: -0.342 local terms energy: -324.885824 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -84.370 flat angles P-C4'-P energy: -31.964 tors. eta vs tors. theta energy: -84.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1122.077974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.077974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.077974 (E_RNA) where: Base-Base interactions energy: -771.792 where: short stacking energy: -316.336 Base-Backbone interact. energy: 2.672 local terms energy: -352.958080 where: bonds (distance) C4'-P energy: -63.674 bonds (distance) P-C4' energy: -72.512 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -46.870 tors. eta vs tors. theta energy: -91.844 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: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1038.720607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.720607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.720607 (E_RNA) where: Base-Base interactions energy: -713.159 where: short stacking energy: -296.603 Base-Backbone interact. energy: -1.938 local terms energy: -323.623662 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -73.351 flat angles C4'-P-C4' energy: -70.999 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: -69.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -948.781869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.781869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.781869 (E_RNA) where: Base-Base interactions energy: -632.152 where: short stacking energy: -308.517 Base-Backbone interact. energy: -0.712 local terms energy: -315.918081 where: bonds (distance) C4'-P energy: -65.860 bonds (distance) P-C4' energy: -53.787 flat angles C4'-P-C4' energy: -64.392 flat angles P-C4'-P energy: -41.742 tors. eta vs tors. theta energy: -90.137 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: 8, replica: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -829.113088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.113088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.113088 (E_RNA) where: Base-Base interactions energy: -540.214 where: short stacking energy: -259.053 Base-Backbone interact. energy: -1.063 local terms energy: -287.835936 where: bonds (distance) C4'-P energy: -54.538 bonds (distance) P-C4' energy: -67.287 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -27.032 tors. eta vs tors. theta energy: -71.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -663.901945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.901945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.901945 (E_RNA) where: Base-Base interactions energy: -398.391 where: short stacking energy: -191.148 Base-Backbone interact. energy: 2.958 local terms energy: -268.468519 where: bonds (distance) C4'-P energy: -57.392 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -36.543 tors. eta vs tors. theta energy: -42.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -411.031785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.031785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.031785 (E_RNA) where: Base-Base interactions energy: -208.555 where: short stacking energy: -122.212 Base-Backbone interact. energy: 0.085 local terms energy: -202.561177 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -60.392 flat angles C4'-P-C4' energy: -48.466 flat angles P-C4'-P energy: -27.753 tors. eta vs tors. theta energy: -0.848 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: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1339.814372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.814372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.814372 (E_RNA) where: Base-Base interactions energy: -936.013 where: short stacking energy: -394.479 Base-Backbone interact. energy: 0.216 local terms energy: -404.017428 where: bonds (distance) C4'-P energy: -70.718 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -73.924 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -120.046 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: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1259.555794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.555794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.555794 (E_RNA) where: Base-Base interactions energy: -899.252 where: short stacking energy: -349.689 Base-Backbone interact. energy: -1.987 local terms energy: -358.317302 where: bonds (distance) C4'-P energy: -73.436 bonds (distance) P-C4' energy: -75.545 flat angles C4'-P-C4' energy: -77.506 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: -74.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1203.975816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.975816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.975816 (E_RNA) where: Base-Base interactions energy: -853.478 where: short stacking energy: -358.932 Base-Backbone interact. energy: 0.810 local terms energy: -351.308348 where: bonds (distance) C4'-P energy: -60.786 bonds (distance) P-C4' energy: -66.748 flat angles C4'-P-C4' energy: -76.603 flat angles P-C4'-P energy: -45.875 tors. eta vs tors. theta energy: -101.297 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: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1164.197564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.197564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.197564 (E_RNA) where: Base-Base interactions energy: -817.164 where: short stacking energy: -379.361 Base-Backbone interact. energy: -0.750 local terms energy: -346.283709 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -54.649 flat angles C4'-P-C4' energy: -77.353 flat angles P-C4'-P energy: -50.416 tors. eta vs tors. theta energy: -99.352 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: 5, replica: 5 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1103.397778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.397778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.397778 (E_RNA) where: Base-Base interactions energy: -774.643 where: short stacking energy: -335.448 Base-Backbone interact. energy: -0.082 local terms energy: -328.672721 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -58.143 flat angles C4'-P-C4' energy: -75.067 flat angles P-C4'-P energy: -50.298 tors. eta vs tors. theta energy: -90.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1020.123228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.123228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.123228 (E_RNA) where: Base-Base interactions energy: -702.160 where: short stacking energy: -291.078 Base-Backbone interact. energy: 1.540 local terms energy: -319.504116 where: bonds (distance) C4'-P energy: -66.612 bonds (distance) P-C4' energy: -60.415 flat angles C4'-P-C4' energy: -70.567 flat angles P-C4'-P energy: -45.947 tors. eta vs tors. theta energy: -75.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -911.031556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.031556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.031556 (E_RNA) where: Base-Base interactions energy: -607.794 where: short stacking energy: -281.283 Base-Backbone interact. energy: -1.304 local terms energy: -301.933962 where: bonds (distance) C4'-P energy: -48.809 bonds (distance) P-C4' energy: -67.385 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -74.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -784.796504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.796504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.796504 (E_RNA) where: Base-Base interactions energy: -525.233 where: short stacking energy: -242.497 Base-Backbone interact. energy: -0.631 local terms energy: -258.932153 where: bonds (distance) C4'-P energy: -53.632 bonds (distance) P-C4' energy: -62.165 flat angles C4'-P-C4' energy: -49.621 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -51.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -781.256679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.256679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.256679 (E_RNA) where: Base-Base interactions energy: -548.055 where: short stacking energy: -243.072 Base-Backbone interact. energy: 0.837 local terms energy: -234.038051 where: bonds (distance) C4'-P energy: -36.877 bonds (distance) P-C4' energy: -50.185 flat angles C4'-P-C4' energy: -64.624 flat angles P-C4'-P energy: -29.376 tors. eta vs tors. theta energy: -52.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -455.367959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.367959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.367959 (E_RNA) where: Base-Base interactions energy: -253.714 where: short stacking energy: -149.221 Base-Backbone interact. energy: -0.421 local terms energy: -201.232599 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -52.180 flat angles C4'-P-C4' energy: -44.378 flat angles P-C4'-P energy: -30.722 tors. eta vs tors. theta energy: -15.178 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: 284 Temperature: 0.900000 Total energy: -1343.734713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.734713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.734713 (E_RNA) where: Base-Base interactions energy: -946.968 where: short stacking energy: -384.758 Base-Backbone interact. energy: -0.476 local terms energy: -396.290409 where: bonds (distance) C4'-P energy: -74.730 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -81.542 flat angles P-C4'-P energy: -63.830 tors. eta vs tors. theta energy: -117.436 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: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1265.407655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.407655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.407655 (E_RNA) where: Base-Base interactions energy: -918.310 where: short stacking energy: -356.791 Base-Backbone interact. energy: 2.944 local terms energy: -350.041296 where: bonds (distance) C4'-P energy: -64.635 bonds (distance) P-C4' energy: -67.900 flat angles C4'-P-C4' energy: -74.786 flat angles P-C4'-P energy: -53.141 tors. eta vs tors. theta energy: -89.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1218.884692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.884692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.884692 (E_RNA) where: Base-Base interactions energy: -858.870 where: short stacking energy: -369.209 Base-Backbone interact. energy: 0.491 local terms energy: -360.505567 where: bonds (distance) C4'-P energy: -62.843 bonds (distance) P-C4' energy: -66.740 flat angles C4'-P-C4' energy: -80.945 flat angles P-C4'-P energy: -47.162 tors. eta vs tors. theta energy: -102.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1141.569841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.569841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.569841 (E_RNA) where: Base-Base interactions energy: -800.533 where: short stacking energy: -331.537 Base-Backbone interact. energy: 0.371 local terms energy: -341.407713 where: bonds (distance) C4'-P energy: -61.329 bonds (distance) P-C4' energy: -68.444 flat angles C4'-P-C4' energy: -69.180 flat angles P-C4'-P energy: -49.725 tors. eta vs tors. theta energy: -92.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1085.111332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.111332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.111332 (E_RNA) where: Base-Base interactions energy: -768.698 where: short stacking energy: -320.249 Base-Backbone interact. energy: 0.973 local terms energy: -317.385839 where: bonds (distance) C4'-P energy: -67.933 bonds (distance) P-C4' energy: -59.043 flat angles C4'-P-C4' energy: -74.810 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -72.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1067.091790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.091790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.091790 (E_RNA) where: Base-Base interactions energy: -744.848 where: short stacking energy: -316.987 Base-Backbone interact. energy: 0.082 local terms energy: -322.326400 where: bonds (distance) C4'-P energy: -63.286 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -68.622 flat angles P-C4'-P energy: -41.678 tors. eta vs tors. theta energy: -87.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -927.821036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.821036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.821036 (E_RNA) where: Base-Base interactions energy: -630.310 where: short stacking energy: -284.153 Base-Backbone interact. energy: -0.347 local terms energy: -297.164191 where: bonds (distance) C4'-P energy: -57.003 bonds (distance) P-C4' energy: -67.176 flat angles C4'-P-C4' energy: -60.500 flat angles P-C4'-P energy: -37.637 tors. eta vs tors. theta energy: -74.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -782.582018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.582018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.582018 (E_RNA) where: Base-Base interactions energy: -492.977 where: short stacking energy: -218.411 Base-Backbone interact. energy: -1.170 local terms energy: -288.434812 where: bonds (distance) C4'-P energy: -46.397 bonds (distance) P-C4' energy: -67.835 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -50.729 tors. eta vs tors. theta energy: -50.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -803.422943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.422943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.422943 (E_RNA) where: Base-Base interactions energy: -547.398 where: short stacking energy: -248.057 Base-Backbone interact. energy: -0.204 local terms energy: -255.821085 where: bonds (distance) C4'-P energy: -51.682 bonds (distance) P-C4' energy: -53.952 flat angles C4'-P-C4' energy: -56.006 flat angles P-C4'-P energy: -37.731 tors. eta vs tors. theta energy: -56.450 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: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -425.455519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.455519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.455519 (E_RNA) where: Base-Base interactions energy: -212.171 where: short stacking energy: -103.710 Base-Backbone interact. energy: 0.084 local terms energy: -213.368870 where: bonds (distance) C4'-P energy: -65.628 bonds (distance) P-C4' energy: -64.399 flat angles C4'-P-C4' energy: -62.336 flat angles P-C4'-P energy: -19.943 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1342.474051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.474051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.474051 (E_RNA) where: Base-Base interactions energy: -951.315 where: short stacking energy: -395.637 Base-Backbone interact. energy: -0.382 local terms energy: -390.776556 where: bonds (distance) C4'-P energy: -69.105 bonds (distance) P-C4' energy: -71.092 flat angles C4'-P-C4' energy: -77.212 flat angles P-C4'-P energy: -56.455 tors. eta vs tors. theta energy: -116.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1268.923117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.923117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.923117 (E_RNA) where: Base-Base interactions energy: -920.585 where: short stacking energy: -374.644 Base-Backbone interact. energy: 1.619 local terms energy: -349.957466 where: bonds (distance) C4'-P energy: -59.154 bonds (distance) P-C4' energy: -68.653 flat angles C4'-P-C4' energy: -72.948 flat angles P-C4'-P energy: -53.164 tors. eta vs tors. theta energy: -96.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1215.463911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.463911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.463911 (E_RNA) where: Base-Base interactions energy: -850.881 where: short stacking energy: -359.027 Base-Backbone interact. energy: -0.770 local terms energy: -363.812995 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -75.852 flat angles P-C4'-P energy: -50.940 tors. eta vs tors. theta energy: -106.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1170.044717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.044717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.044717 (E_RNA) where: Base-Base interactions energy: -823.423 where: short stacking energy: -340.775 Base-Backbone interact. energy: -1.171 local terms energy: -345.451397 where: bonds (distance) C4'-P energy: -68.059 bonds (distance) P-C4' energy: -56.268 flat angles C4'-P-C4' energy: -80.011 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -91.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1047.360848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.360848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.360848 (E_RNA) where: Base-Base interactions energy: -724.052 where: short stacking energy: -304.193 Base-Backbone interact. energy: 5.552 local terms energy: -328.860661 where: bonds (distance) C4'-P energy: -59.121 bonds (distance) P-C4' energy: -68.518 flat angles C4'-P-C4' energy: -79.408 flat angles P-C4'-P energy: -47.194 tors. eta vs tors. theta energy: -74.619 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: 5 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1050.241179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.241179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.241179 (E_RNA) where: Base-Base interactions energy: -724.394 where: short stacking energy: -296.985 Base-Backbone interact. energy: 1.237 local terms energy: -327.084624 where: bonds (distance) C4'-P energy: -61.457 bonds (distance) P-C4' energy: -56.890 flat angles C4'-P-C4' energy: -80.961 flat angles P-C4'-P energy: -47.711 tors. eta vs tors. theta energy: -80.066 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: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -890.841695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.841695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.841695 (E_RNA) where: Base-Base interactions energy: -600.858 where: short stacking energy: -266.502 Base-Backbone interact. energy: -2.010 local terms energy: -287.974453 where: bonds (distance) C4'-P energy: -61.944 bonds (distance) P-C4' energy: -59.062 flat angles C4'-P-C4' energy: -66.937 flat angles P-C4'-P energy: -42.356 tors. eta vs tors. theta energy: -57.675 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: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -780.300751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.300751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.300751 (E_RNA) where: Base-Base interactions energy: -511.413 where: short stacking energy: -243.405 Base-Backbone interact. energy: 3.752 local terms energy: -272.639629 where: bonds (distance) C4'-P energy: -63.691 bonds (distance) P-C4' energy: -59.451 flat angles C4'-P-C4' energy: -44.829 flat angles P-C4'-P energy: -46.287 tors. eta vs tors. theta energy: -58.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -730.137465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.137465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.137465 (E_RNA) where: Base-Base interactions energy: -478.717 where: short stacking energy: -212.764 Base-Backbone interact. energy: -1.754 local terms energy: -249.666970 where: bonds (distance) C4'-P energy: -63.930 bonds (distance) P-C4' energy: -46.428 flat angles C4'-P-C4' energy: -63.526 flat angles P-C4'-P energy: -37.538 tors. eta vs tors. theta energy: -38.245 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -448.607959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.607959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.607959 (E_RNA) where: Base-Base interactions energy: -272.379 where: short stacking energy: -156.699 Base-Backbone interact. energy: -2.945 local terms energy: -173.284029 where: bonds (distance) C4'-P energy: -46.970 bonds (distance) P-C4' energy: -48.318 flat angles C4'-P-C4' energy: -50.482 flat angles P-C4'-P energy: -25.472 tors. eta vs tors. theta energy: -2.042 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: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1344.052624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.052624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.052624 (E_RNA) where: Base-Base interactions energy: -950.697 where: short stacking energy: -385.826 Base-Backbone interact. energy: -0.650 local terms energy: -392.705263 where: bonds (distance) C4'-P energy: -84.681 bonds (distance) P-C4' energy: -67.109 flat angles C4'-P-C4' energy: -76.290 flat angles P-C4'-P energy: -53.360 tors. eta vs tors. theta energy: -111.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1286.635314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.635314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.635314 (E_RNA) where: Base-Base interactions energy: -939.856 where: short stacking energy: -377.316 Base-Backbone interact. energy: -0.482 local terms energy: -346.297610 where: bonds (distance) C4'-P energy: -57.644 bonds (distance) P-C4' energy: -67.340 flat angles C4'-P-C4' energy: -77.537 flat angles P-C4'-P energy: -51.323 tors. eta vs tors. theta energy: -92.454 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: 9 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1237.513493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.513493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.513493 (E_RNA) where: Base-Base interactions energy: -876.116 where: short stacking energy: -362.397 Base-Backbone interact. energy: -1.249 local terms energy: -360.148059 where: bonds (distance) C4'-P energy: -71.588 bonds (distance) P-C4' energy: -67.324 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -102.080 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: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1141.024069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.024069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.024069 (E_RNA) where: Base-Base interactions energy: -810.727 where: short stacking energy: -313.129 Base-Backbone interact. energy: -1.245 local terms energy: -329.052651 where: bonds (distance) C4'-P energy: -65.098 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -75.875 flat angles P-C4'-P energy: -49.683 tors. eta vs tors. theta energy: -78.858 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: 5 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1072.717725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.717725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.717725 (E_RNA) where: Base-Base interactions energy: -765.770 where: short stacking energy: -324.108 Base-Backbone interact. energy: -1.187 local terms energy: -305.761415 where: bonds (distance) C4'-P energy: -42.583 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -72.990 flat angles P-C4'-P energy: -49.188 tors. eta vs tors. theta energy: -82.790 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: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1011.105525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.105525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.105525 (E_RNA) where: Base-Base interactions energy: -707.221 where: short stacking energy: -315.005 Base-Backbone interact. energy: 1.208 local terms energy: -305.092498 where: bonds (distance) C4'-P energy: -48.845 bonds (distance) P-C4' energy: -64.528 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: -74.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -962.600878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.600878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.600878 (E_RNA) where: Base-Base interactions energy: -653.995 where: short stacking energy: -287.420 Base-Backbone interact. energy: -2.074 local terms energy: -306.532527 where: bonds (distance) C4'-P energy: -57.269 bonds (distance) P-C4' energy: -56.657 flat angles C4'-P-C4' energy: -66.015 flat angles P-C4'-P energy: -42.878 tors. eta vs tors. theta energy: -83.713 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: 8, replica: 10 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -805.838820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.838820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.838820 (E_RNA) where: Base-Base interactions energy: -542.040 where: short stacking energy: -226.879 Base-Backbone interact. energy: -0.804 local terms energy: -262.995636 where: bonds (distance) C4'-P energy: -57.687 bonds (distance) P-C4' energy: -58.358 flat angles C4'-P-C4' energy: -68.654 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -35.143 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: 1 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -725.348649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.348649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.348649 (E_RNA) where: Base-Base interactions energy: -455.210 where: short stacking energy: -223.569 Base-Backbone interact. energy: -0.395 local terms energy: -269.743356 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -61.682 flat angles C4'-P-C4' energy: -70.983 flat angles P-C4'-P energy: -40.189 tors. eta vs tors. theta energy: -39.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -470.987980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.987980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.987980 (E_RNA) where: Base-Base interactions energy: -248.012 where: short stacking energy: -160.440 Base-Backbone interact. energy: -0.311 local terms energy: -222.665114 where: bonds (distance) C4'-P energy: -49.585 bonds (distance) P-C4' energy: -58.268 flat angles C4'-P-C4' energy: -66.567 flat angles P-C4'-P energy: -25.855 tors. eta vs tors. theta energy: -22.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1350.700843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.700843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.700843 (E_RNA) where: Base-Base interactions energy: -971.509 where: short stacking energy: -401.014 Base-Backbone interact. energy: -0.876 local terms energy: -378.316441 where: bonds (distance) C4'-P energy: -69.487 bonds (distance) P-C4' energy: -71.869 flat angles C4'-P-C4' energy: -78.432 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -112.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1281.125792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.125792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.125792 (E_RNA) where: Base-Base interactions energy: -888.746 where: short stacking energy: -377.531 Base-Backbone interact. energy: -1.030 local terms energy: -391.349139 where: bonds (distance) C4'-P energy: -75.123 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: -113.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1235.925459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.925459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.925459 (E_RNA) where: Base-Base interactions energy: -883.330 where: short stacking energy: -363.716 Base-Backbone interact. energy: 0.375 local terms energy: -352.970604 where: bonds (distance) C4'-P energy: -65.222 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -66.616 flat angles P-C4'-P energy: -52.619 tors. eta vs tors. theta energy: -96.774 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: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1167.354895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.354895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.354895 (E_RNA) where: Base-Base interactions energy: -832.204 where: short stacking energy: -335.073 Base-Backbone interact. energy: -2.048 local terms energy: -333.102523 where: bonds (distance) C4'-P energy: -60.375 bonds (distance) P-C4' energy: -53.440 flat angles C4'-P-C4' energy: -76.350 flat angles P-C4'-P energy: -50.510 tors. eta vs tors. theta energy: -92.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1055.961017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.961017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.961017 (E_RNA) where: Base-Base interactions energy: -740.480 where: short stacking energy: -304.063 Base-Backbone interact. energy: -2.272 local terms energy: -313.209369 where: bonds (distance) C4'-P energy: -63.712 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -62.174 flat angles P-C4'-P energy: -45.688 tors. eta vs tors. theta energy: -80.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -969.072859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.072859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.072859 (E_RNA) where: Base-Base interactions energy: -645.113 where: short stacking energy: -293.236 Base-Backbone interact. energy: -0.132 local terms energy: -323.827648 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -61.659 flat angles C4'-P-C4' energy: -68.716 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -79.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1009.864202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.864202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.864202 (E_RNA) where: Base-Base interactions energy: -711.592 where: short stacking energy: -278.816 Base-Backbone interact. energy: -0.670 local terms energy: -297.601656 where: bonds (distance) C4'-P energy: -63.340 bonds (distance) P-C4' energy: -77.044 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -32.542 tors. eta vs tors. theta energy: -67.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -786.828754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.828754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.828754 (E_RNA) where: Base-Base interactions energy: -532.700 where: short stacking energy: -219.949 Base-Backbone interact. energy: 0.627 local terms energy: -254.755833 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -61.378 flat angles C4'-P-C4' energy: -52.653 flat angles P-C4'-P energy: -37.594 tors. eta vs tors. theta energy: -45.580 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: 1 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -731.535537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.535537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.535537 (E_RNA) where: Base-Base interactions energy: -462.325 where: short stacking energy: -217.266 Base-Backbone interact. energy: 0.102 local terms energy: -269.311882 where: bonds (distance) C4'-P energy: -53.056 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -62.370 flat angles P-C4'-P energy: -46.478 tors. eta vs tors. theta energy: -42.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -385.909789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.909789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.909789 (E_RNA) where: Base-Base interactions energy: -194.206 where: short stacking energy: -112.629 Base-Backbone interact. energy: 8.055 local terms energy: -199.758522 where: bonds (distance) C4'-P energy: -50.361 bonds (distance) P-C4' energy: -63.208 flat angles C4'-P-C4' energy: -53.389 flat angles P-C4'-P energy: -40.425 tors. eta vs tors. theta energy: 7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1356.535003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.535003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.535003 (E_RNA) where: Base-Base interactions energy: -964.298 where: short stacking energy: -395.083 Base-Backbone interact. energy: -1.008 local terms energy: -391.229797 where: bonds (distance) C4'-P energy: -71.243 bonds (distance) P-C4' energy: -68.900 flat angles C4'-P-C4' energy: -71.889 flat angles P-C4'-P energy: -57.706 tors. eta vs tors. theta energy: -121.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1272.479997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.479997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.479997 (E_RNA) where: Base-Base interactions energy: -887.099 where: short stacking energy: -385.240 Base-Backbone interact. energy: 0.532 local terms energy: -385.913436 where: bonds (distance) C4'-P energy: -68.983 bonds (distance) P-C4' energy: -71.091 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -54.779 tors. eta vs tors. theta energy: -116.052 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: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1260.757194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.757194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.757194 (E_RNA) where: Base-Base interactions energy: -911.655 where: short stacking energy: -372.716 Base-Backbone interact. energy: 0.459 local terms energy: -349.561550 where: bonds (distance) C4'-P energy: -56.925 bonds (distance) P-C4' energy: -75.427 flat angles C4'-P-C4' energy: -66.801 flat angles P-C4'-P energy: -56.002 tors. eta vs tors. theta energy: -94.407 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: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1139.383503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.383503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.383503 (E_RNA) where: Base-Base interactions energy: -829.873 where: short stacking energy: -326.901 Base-Backbone interact. energy: -0.947 local terms energy: -308.563169 where: bonds (distance) C4'-P energy: -54.014 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -68.740 flat angles P-C4'-P energy: -39.143 tors. eta vs tors. theta energy: -84.148 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: 5 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1085.206562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.206562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.206562 (E_RNA) where: Base-Base interactions energy: -769.744 where: short stacking energy: -328.471 Base-Backbone interact. energy: -0.306 local terms energy: -315.156578 where: bonds (distance) C4'-P energy: -59.418 bonds (distance) P-C4' energy: -66.781 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -44.798 tors. eta vs tors. theta energy: -86.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -973.488025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.488025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.488025 (E_RNA) where: Base-Base interactions energy: -686.884 where: short stacking energy: -297.590 Base-Backbone interact. energy: 1.349 local terms energy: -287.953327 where: bonds (distance) C4'-P energy: -49.163 bonds (distance) P-C4' energy: -54.325 flat angles C4'-P-C4' energy: -68.238 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -74.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1024.587521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.587521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.587521 (E_RNA) where: Base-Base interactions energy: -698.509 where: short stacking energy: -300.387 Base-Backbone interact. energy: 0.632 local terms energy: -326.710857 where: bonds (distance) C4'-P energy: -66.001 bonds (distance) P-C4' energy: -65.877 flat angles C4'-P-C4' energy: -75.376 flat angles P-C4'-P energy: -46.866 tors. eta vs tors. theta energy: -72.591 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: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -753.437650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.437650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.437650 (E_RNA) where: Base-Base interactions energy: -490.429 where: short stacking energy: -218.735 Base-Backbone interact. energy: 0.997 local terms energy: -264.004767 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -58.311 flat angles C4'-P-C4' energy: -65.048 flat angles P-C4'-P energy: -32.894 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: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -736.249821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.249821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.249821 (E_RNA) where: Base-Base interactions energy: -496.142 where: short stacking energy: -215.956 Base-Backbone interact. energy: -2.081 local terms energy: -238.026879 where: bonds (distance) C4'-P energy: -53.696 bonds (distance) P-C4' energy: -50.402 flat angles C4'-P-C4' energy: -62.942 flat angles P-C4'-P energy: -30.435 tors. eta vs tors. theta energy: -40.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -398.834428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.834428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.834428 (E_RNA) where: Base-Base interactions energy: -208.243 where: short stacking energy: -127.511 Base-Backbone interact. energy: -1.112 local terms energy: -189.479495 where: bonds (distance) C4'-P energy: -49.991 bonds (distance) P-C4' energy: -54.361 flat angles C4'-P-C4' energy: -59.754 flat angles P-C4'-P energy: -27.627 tors. eta vs tors. theta energy: 2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1339.598807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.598807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.598807 (E_RNA) where: Base-Base interactions energy: -943.263 where: short stacking energy: -394.476 Base-Backbone interact. energy: -1.662 local terms energy: -394.673625 where: bonds (distance) C4'-P energy: -74.542 bonds (distance) P-C4' energy: -69.826 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -116.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1290.386457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.386457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.386457 (E_RNA) where: Base-Base interactions energy: -922.727 where: short stacking energy: -380.720 Base-Backbone interact. energy: 3.818 local terms energy: -371.477555 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -60.463 tors. eta vs tors. theta energy: -95.077 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: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1250.114947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.114947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.114947 (E_RNA) where: Base-Base interactions energy: -872.290 where: short stacking energy: -378.428 Base-Backbone interact. energy: 0.138 local terms energy: -377.962593 where: bonds (distance) C4'-P energy: -69.372 bonds (distance) P-C4' energy: -69.211 flat angles C4'-P-C4' energy: -78.570 flat angles P-C4'-P energy: -55.313 tors. eta vs tors. theta energy: -105.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1151.558996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.558996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.558996 (E_RNA) where: Base-Base interactions energy: -812.542 where: short stacking energy: -334.903 Base-Backbone interact. energy: 0.193 local terms energy: -339.210651 where: bonds (distance) C4'-P energy: -65.309 bonds (distance) P-C4' energy: -68.695 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -49.611 tors. eta vs tors. theta energy: -87.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1051.762058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.762058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.762058 (E_RNA) where: Base-Base interactions energy: -752.508 where: short stacking energy: -315.497 Base-Backbone interact. energy: -1.179 local terms energy: -298.074823 where: bonds (distance) C4'-P energy: -59.585 bonds (distance) P-C4' energy: -48.819 flat angles C4'-P-C4' energy: -76.873 flat angles P-C4'-P energy: -38.840 tors. eta vs tors. theta energy: -73.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1048.353050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.353050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.353050 (E_RNA) where: Base-Base interactions energy: -741.436 where: short stacking energy: -307.476 Base-Backbone interact. energy: -0.952 local terms energy: -305.964452 where: bonds (distance) C4'-P energy: -58.032 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -60.940 flat angles P-C4'-P energy: -43.057 tors. eta vs tors. theta energy: -78.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -969.004800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.004800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.004800 (E_RNA) where: Base-Base interactions energy: -650.079 where: short stacking energy: -288.841 Base-Backbone interact. energy: -0.185 local terms energy: -318.741280 where: bonds (distance) C4'-P energy: -66.641 bonds (distance) P-C4' energy: -72.519 flat angles C4'-P-C4' energy: -63.652 flat angles P-C4'-P energy: -40.865 tors. eta vs tors. theta energy: -75.064 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: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -748.714035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.714035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.714035 (E_RNA) where: Base-Base interactions energy: -467.219 where: short stacking energy: -214.315 Base-Backbone interact. energy: 3.423 local terms energy: -284.918660 where: bonds (distance) C4'-P energy: -59.661 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -68.061 flat angles P-C4'-P energy: -45.772 tors. eta vs tors. theta energy: -48.586 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: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -710.853029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.853029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.853029 (E_RNA) where: Base-Base interactions energy: -481.914 where: short stacking energy: -193.040 Base-Backbone interact. energy: -3.745 local terms energy: -225.193855 where: bonds (distance) C4'-P energy: -53.591 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -55.301 flat angles P-C4'-P energy: -27.015 tors. eta vs tors. theta energy: -28.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -416.673914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.673914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.673914 (E_RNA) where: Base-Base interactions energy: -203.092 where: short stacking energy: -116.163 Base-Backbone interact. energy: 0.968 local terms energy: -214.550738 where: bonds (distance) C4'-P energy: -59.391 bonds (distance) P-C4' energy: -56.700 flat angles C4'-P-C4' energy: -51.024 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -6.001 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: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1369.998759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.998759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.998759 (E_RNA) where: Base-Base interactions energy: -982.609 where: short stacking energy: -402.731 Base-Backbone interact. energy: -0.690 local terms energy: -386.700364 where: bonds (distance) C4'-P energy: -71.945 bonds (distance) P-C4' energy: -67.505 flat angles C4'-P-C4' energy: -77.048 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -118.906 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: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1277.505994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.505994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.505994 (E_RNA) where: Base-Base interactions energy: -930.270 where: short stacking energy: -372.938 Base-Backbone interact. energy: -1.072 local terms energy: -346.164278 where: bonds (distance) C4'-P energy: -61.790 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -75.155 flat angles P-C4'-P energy: -54.356 tors. eta vs tors. theta energy: -94.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1251.387861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.387861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.387861 (E_RNA) where: Base-Base interactions energy: -884.520 where: short stacking energy: -373.228 Base-Backbone interact. energy: -1.457 local terms energy: -365.410800 where: bonds (distance) C4'-P energy: -70.359 bonds (distance) P-C4' energy: -59.521 flat angles C4'-P-C4' energy: -72.833 flat angles P-C4'-P energy: -53.099 tors. eta vs tors. theta energy: -109.599 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: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1140.184136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.184136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.184136 (E_RNA) where: Base-Base interactions energy: -807.384 where: short stacking energy: -339.188 Base-Backbone interact. energy: 0.788 local terms energy: -333.588252 where: bonds (distance) C4'-P energy: -68.172 bonds (distance) P-C4' energy: -64.336 flat angles C4'-P-C4' energy: -73.346 flat angles P-C4'-P energy: -41.119 tors. eta vs tors. theta energy: -86.616 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: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1049.479148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.479148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.479148 (E_RNA) where: Base-Base interactions energy: -739.085 where: short stacking energy: -312.800 Base-Backbone interact. energy: -1.248 local terms energy: -309.146066 where: bonds (distance) C4'-P energy: -60.486 bonds (distance) P-C4' energy: -60.690 flat angles C4'-P-C4' energy: -75.373 flat angles P-C4'-P energy: -29.772 tors. eta vs tors. theta energy: -82.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1037.002570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.002570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.002570 (E_RNA) where: Base-Base interactions energy: -734.612 where: short stacking energy: -309.227 Base-Backbone interact. energy: -0.451 local terms energy: -301.939884 where: bonds (distance) C4'-P energy: -54.242 bonds (distance) P-C4' energy: -58.465 flat angles C4'-P-C4' energy: -63.887 flat angles P-C4'-P energy: -40.603 tors. eta vs tors. theta energy: -84.742 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: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -936.666606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.666606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.666606 (E_RNA) where: Base-Base interactions energy: -644.676 where: short stacking energy: -281.279 Base-Backbone interact. energy: 3.830 local terms energy: -295.821483 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -55.743 flat angles C4'-P-C4' energy: -65.716 flat angles P-C4'-P energy: -44.432 tors. eta vs tors. theta energy: -75.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -752.782962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.782962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.782962 (E_RNA) where: Base-Base interactions energy: -501.733 where: short stacking energy: -228.258 Base-Backbone interact. energy: -0.162 local terms energy: -250.888042 where: bonds (distance) C4'-P energy: -54.929 bonds (distance) P-C4' energy: -53.006 flat angles C4'-P-C4' energy: -69.121 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: -43.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -737.482092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.482092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.482092 (E_RNA) where: Base-Base interactions energy: -478.099 where: short stacking energy: -200.295 Base-Backbone interact. energy: 0.941 local terms energy: -260.325066 where: bonds (distance) C4'-P energy: -46.054 bonds (distance) P-C4' energy: -65.162 flat angles C4'-P-C4' energy: -65.287 flat angles P-C4'-P energy: -38.162 tors. eta vs tors. theta energy: -45.660 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: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -401.109641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.109641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.109641 (E_RNA) where: Base-Base interactions energy: -206.194 where: short stacking energy: -125.887 Base-Backbone interact. energy: -0.142 local terms energy: -194.773468 where: bonds (distance) C4'-P energy: -55.643 bonds (distance) P-C4' energy: -47.253 flat angles C4'-P-C4' energy: -46.192 flat angles P-C4'-P energy: -33.079 tors. eta vs tors. theta energy: -12.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1332.484308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.484308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.484308 (E_RNA) where: Base-Base interactions energy: -959.206 where: short stacking energy: -389.262 Base-Backbone interact. energy: -1.261 local terms energy: -372.016471 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -68.864 flat angles C4'-P-C4' energy: -75.335 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -110.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1278.018293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.018293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.018293 (E_RNA) where: Base-Base interactions energy: -934.208 where: short stacking energy: -375.996 Base-Backbone interact. energy: -1.162 local terms energy: -342.648577 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -62.857 flat angles C4'-P-C4' energy: -70.611 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: -89.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1233.412447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.412447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.412447 (E_RNA) where: Base-Base interactions energy: -857.225 where: short stacking energy: -364.272 Base-Backbone interact. energy: 0.547 local terms energy: -376.734718 where: bonds (distance) C4'-P energy: -68.435 bonds (distance) P-C4' energy: -75.739 flat angles C4'-P-C4' energy: -71.564 flat angles P-C4'-P energy: -53.608 tors. eta vs tors. theta energy: -107.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1132.836269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.836269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.836269 (E_RNA) where: Base-Base interactions energy: -784.840 where: short stacking energy: -326.554 Base-Backbone interact. energy: -0.825 local terms energy: -347.170585 where: bonds (distance) C4'-P energy: -70.622 bonds (distance) P-C4' energy: -67.935 flat angles C4'-P-C4' energy: -73.312 flat angles P-C4'-P energy: -37.328 tors. eta vs tors. theta energy: -97.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1061.470590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.470590 (E_RNA) where: Base-Base interactions energy: -750.808 where: short stacking energy: -329.317 Base-Backbone interact. energy: -1.566 local terms energy: -309.096885 where: bonds (distance) C4'-P energy: -46.979 bonds (distance) P-C4' energy: -59.725 flat angles C4'-P-C4' energy: -78.335 flat angles P-C4'-P energy: -40.744 tors. eta vs tors. theta energy: -83.313 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: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1063.914657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.914657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.914657 (E_RNA) where: Base-Base interactions energy: -743.216 where: short stacking energy: -295.276 Base-Backbone interact. energy: 2.570 local terms energy: -323.268306 where: bonds (distance) C4'-P energy: -57.753 bonds (distance) P-C4' energy: -76.306 flat angles C4'-P-C4' energy: -73.289 flat angles P-C4'-P energy: -38.996 tors. eta vs tors. theta energy: -76.924 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -904.847630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.847630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.847630 (E_RNA) where: Base-Base interactions energy: -583.330 where: short stacking energy: -249.934 Base-Backbone interact. energy: 0.626 local terms energy: -322.144144 where: bonds (distance) C4'-P energy: -64.504 bonds (distance) P-C4' energy: -79.899 flat angles C4'-P-C4' energy: -74.283 flat angles P-C4'-P energy: -38.920 tors. eta vs tors. theta energy: -64.538 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: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -733.491678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.491678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.491678 (E_RNA) where: Base-Base interactions energy: -456.595 where: short stacking energy: -228.084 Base-Backbone interact. energy: 0.159 local terms energy: -277.055824 where: bonds (distance) C4'-P energy: -59.542 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -62.554 flat angles P-C4'-P energy: -45.519 tors. eta vs tors. theta energy: -43.626 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: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -784.012034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.012034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.012034 (E_RNA) where: Base-Base interactions energy: -514.202 where: short stacking energy: -209.784 Base-Backbone interact. energy: -2.181 local terms energy: -267.628841 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -61.155 flat angles C4'-P-C4' energy: -55.428 flat angles P-C4'-P energy: -43.892 tors. eta vs tors. theta energy: -39.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -497.384306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.384306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.384306 (E_RNA) where: Base-Base interactions energy: -279.516 where: short stacking energy: -147.054 Base-Backbone interact. energy: 1.495 local terms energy: -219.362424 where: bonds (distance) C4'-P energy: -64.924 bonds (distance) P-C4' energy: -55.633 flat angles C4'-P-C4' energy: -51.731 flat angles P-C4'-P energy: -36.270 tors. eta vs tors. theta energy: -10.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1353.295814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.295814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.295814 (E_RNA) where: Base-Base interactions energy: -968.056 where: short stacking energy: -395.079 Base-Backbone interact. energy: -1.754 local terms energy: -383.485254 where: bonds (distance) C4'-P energy: -74.152 bonds (distance) P-C4' energy: -66.576 flat angles C4'-P-C4' energy: -82.808 flat angles P-C4'-P energy: -49.299 tors. eta vs tors. theta energy: -110.651 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: 7 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1257.571632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.571632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.571632 (E_RNA) where: Base-Base interactions energy: -901.735 where: short stacking energy: -367.120 Base-Backbone interact. energy: 2.240 local terms energy: -358.076971 where: bonds (distance) C4'-P energy: -69.056 bonds (distance) P-C4' energy: -78.292 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -45.751 tors. eta vs tors. theta energy: -94.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1244.778993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.778993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.778993 (E_RNA) where: Base-Base interactions energy: -862.627 where: short stacking energy: -360.995 Base-Backbone interact. energy: 0.547 local terms energy: -382.699518 where: bonds (distance) C4'-P energy: -63.011 bonds (distance) P-C4' energy: -69.122 flat angles C4'-P-C4' energy: -81.749 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -112.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1126.453520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.453520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.453520 (E_RNA) where: Base-Base interactions energy: -775.393 where: short stacking energy: -344.081 Base-Backbone interact. energy: -3.691 local terms energy: -347.369729 where: bonds (distance) C4'-P energy: -60.738 bonds (distance) P-C4' energy: -66.295 flat angles C4'-P-C4' energy: -74.637 flat angles P-C4'-P energy: -47.835 tors. eta vs tors. theta energy: -97.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1110.833342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.833342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.833342 (E_RNA) where: Base-Base interactions energy: -800.501 where: short stacking energy: -336.010 Base-Backbone interact. energy: 1.329 local terms energy: -311.661343 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -64.743 flat angles P-C4'-P energy: -45.155 tors. eta vs tors. theta energy: -81.780 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: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1045.583473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.583473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.583473 (E_RNA) where: Base-Base interactions energy: -742.763 where: short stacking energy: -304.459 Base-Backbone interact. energy: -3.336 local terms energy: -299.484181 where: bonds (distance) C4'-P energy: -60.755 bonds (distance) P-C4' energy: -50.791 flat angles C4'-P-C4' energy: -67.557 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -80.507 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: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -944.376298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.376298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.376298 (E_RNA) where: Base-Base interactions energy: -645.246 where: short stacking energy: -300.052 Base-Backbone interact. energy: 0.469 local terms energy: -299.599278 where: bonds (distance) C4'-P energy: -56.906 bonds (distance) P-C4' energy: -51.442 flat angles C4'-P-C4' energy: -69.707 flat angles P-C4'-P energy: -48.440 tors. eta vs tors. theta energy: -73.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -749.973288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.973288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.973288 (E_RNA) where: Base-Base interactions energy: -492.104 where: short stacking energy: -217.774 Base-Backbone interact. energy: -1.380 local terms energy: -256.489140 where: bonds (distance) C4'-P energy: -45.424 bonds (distance) P-C4' energy: -65.439 flat angles C4'-P-C4' energy: -59.092 flat angles P-C4'-P energy: -43.436 tors. eta vs tors. theta energy: -43.099 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: 9, replica: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -808.565948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.565948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.565948 (E_RNA) where: Base-Base interactions energy: -553.709 where: short stacking energy: -238.657 Base-Backbone interact. energy: 1.210 local terms energy: -256.067076 where: bonds (distance) C4'-P energy: -58.586 bonds (distance) P-C4' energy: -51.490 flat angles C4'-P-C4' energy: -64.205 flat angles P-C4'-P energy: -30.237 tors. eta vs tors. theta energy: -51.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -466.295193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.295193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.295193 (E_RNA) where: Base-Base interactions energy: -276.118 where: short stacking energy: -154.113 Base-Backbone interact. energy: -0.705 local terms energy: -189.472801 where: bonds (distance) C4'-P energy: -57.563 bonds (distance) P-C4' energy: -47.440 flat angles C4'-P-C4' energy: -44.933 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1340.207472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.207472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.207472 (E_RNA) where: Base-Base interactions energy: -960.438 where: short stacking energy: -387.117 Base-Backbone interact. energy: -1.506 local terms energy: -378.263321 where: bonds (distance) C4'-P energy: -62.037 bonds (distance) P-C4' energy: -70.506 flat angles C4'-P-C4' energy: -79.096 flat angles P-C4'-P energy: -57.571 tors. eta vs tors. theta energy: -109.053 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1278.300604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.300604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.300604 (E_RNA) where: Base-Base interactions energy: -917.693 where: short stacking energy: -362.516 Base-Backbone interact. energy: -1.141 local terms energy: -359.466433 where: bonds (distance) C4'-P energy: -71.199 bonds (distance) P-C4' energy: -70.627 flat angles C4'-P-C4' energy: -76.675 flat angles P-C4'-P energy: -49.378 tors. eta vs tors. theta energy: -91.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1261.497614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.497614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.497614 (E_RNA) where: Base-Base interactions energy: -889.370 where: short stacking energy: -375.242 Base-Backbone interact. energy: -0.803 local terms energy: -371.324066 where: bonds (distance) C4'-P energy: -69.400 bonds (distance) P-C4' energy: -77.208 flat angles C4'-P-C4' energy: -70.220 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: -107.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1176.228824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.228824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.228824 (E_RNA) where: Base-Base interactions energy: -814.147 where: short stacking energy: -343.771 Base-Backbone interact. energy: -3.779 local terms energy: -358.302006 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -76.867 flat angles P-C4'-P energy: -57.103 tors. eta vs tors. theta energy: -96.746 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: 293 Temperature: 1.100000 Total energy: -1080.864488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.864488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.864488 (E_RNA) where: Base-Base interactions energy: -740.394 where: short stacking energy: -323.374 Base-Backbone interact. energy: 2.805 local terms energy: -343.275421 where: bonds (distance) C4'-P energy: -65.991 bonds (distance) P-C4' energy: -73.816 flat angles C4'-P-C4' energy: -73.557 flat angles P-C4'-P energy: -46.065 tors. eta vs tors. theta energy: -83.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1030.672513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.672513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.672513 (E_RNA) where: Base-Base interactions energy: -708.101 where: short stacking energy: -311.259 Base-Backbone interact. energy: -1.064 local terms energy: -321.507721 where: bonds (distance) C4'-P energy: -63.065 bonds (distance) P-C4' energy: -50.305 flat angles C4'-P-C4' energy: -77.428 flat angles P-C4'-P energy: -46.285 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: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -868.844930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.844930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.844930 (E_RNA) where: Base-Base interactions energy: -594.558 where: short stacking energy: -264.512 Base-Backbone interact. energy: 2.756 local terms energy: -277.043197 where: bonds (distance) C4'-P energy: -52.359 bonds (distance) P-C4' energy: -63.841 flat angles C4'-P-C4' energy: -60.027 flat angles P-C4'-P energy: -42.360 tors. eta vs tors. theta energy: -58.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -828.489194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.489194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.489194 (E_RNA) where: Base-Base interactions energy: -577.602 where: short stacking energy: -238.560 Base-Backbone interact. energy: -2.138 local terms energy: -248.749192 where: bonds (distance) C4'-P energy: -56.022 bonds (distance) P-C4' energy: -50.077 flat angles C4'-P-C4' energy: -58.833 flat angles P-C4'-P energy: -31.874 tors. eta vs tors. theta energy: -51.943 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: 1 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -603.002532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.002532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.002532 (E_RNA) where: Base-Base interactions energy: -374.327 where: short stacking energy: -179.586 Base-Backbone interact. energy: 1.039 local terms energy: -229.714134 where: bonds (distance) C4'-P energy: -62.821 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -51.251 flat angles P-C4'-P energy: -36.836 tors. eta vs tors. theta energy: -17.576 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: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -413.989891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.989891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.989891 (E_RNA) where: Base-Base interactions energy: -221.851 where: short stacking energy: -116.047 Base-Backbone interact. energy: -0.265 local terms energy: -191.874587 where: bonds (distance) C4'-P energy: -55.246 bonds (distance) P-C4' energy: -49.901 flat angles C4'-P-C4' energy: -47.144 flat angles P-C4'-P energy: -33.251 tors. eta vs tors. theta energy: -6.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1331.419720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.419720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.419720 (E_RNA) where: Base-Base interactions energy: -956.766 where: short stacking energy: -398.473 Base-Backbone interact. energy: -0.795 local terms energy: -373.858252 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -70.106 flat angles C4'-P-C4' energy: -81.545 flat angles P-C4'-P energy: -49.304 tors. eta vs tors. theta energy: -114.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1270.565828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.565828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.565828 (E_RNA) where: Base-Base interactions energy: -908.248 where: short stacking energy: -364.437 Base-Backbone interact. energy: 1.019 local terms energy: -363.336652 where: bonds (distance) C4'-P energy: -68.845 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -77.653 flat angles P-C4'-P energy: -47.927 tors. eta vs tors. theta energy: -95.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1243.535622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.535622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.535622 (E_RNA) where: Base-Base interactions energy: -868.385 where: short stacking energy: -381.325 Base-Backbone interact. energy: -0.580 local terms energy: -374.570916 where: bonds (distance) C4'-P energy: -71.962 bonds (distance) P-C4' energy: -74.191 flat angles C4'-P-C4' energy: -75.556 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -105.304 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: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1153.083899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.083899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.083899 (E_RNA) where: Base-Base interactions energy: -815.198 where: short stacking energy: -321.692 Base-Backbone interact. energy: -0.995 local terms energy: -336.890804 where: bonds (distance) C4'-P energy: -74.051 bonds (distance) P-C4' energy: -53.604 flat angles C4'-P-C4' energy: -69.479 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -93.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1082.336876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.336876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.336876 (E_RNA) where: Base-Base interactions energy: -748.398 where: short stacking energy: -306.183 Base-Backbone interact. energy: 1.460 local terms energy: -335.399417 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -65.214 flat angles C4'-P-C4' energy: -79.711 flat angles P-C4'-P energy: -52.498 tors. eta vs tors. theta energy: -76.671 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: 5 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -975.724525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.724525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.724525 (E_RNA) where: Base-Base interactions energy: -679.496 where: short stacking energy: -264.560 Base-Backbone interact. energy: 1.220 local terms energy: -297.449435 where: bonds (distance) C4'-P energy: -48.623 bonds (distance) P-C4' energy: -56.211 flat angles C4'-P-C4' energy: -72.506 flat angles P-C4'-P energy: -49.470 tors. eta vs tors. theta energy: -70.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -855.523745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.523745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.523745 (E_RNA) where: Base-Base interactions energy: -571.971 where: short stacking energy: -275.766 Base-Backbone interact. energy: 0.326 local terms energy: -283.879588 where: bonds (distance) C4'-P energy: -53.933 bonds (distance) P-C4' energy: -53.826 flat angles C4'-P-C4' energy: -65.248 flat angles P-C4'-P energy: -41.474 tors. eta vs tors. theta energy: -69.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -809.916140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.916140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.916140 (E_RNA) where: Base-Base interactions energy: -531.028 where: short stacking energy: -249.289 Base-Backbone interact. energy: 0.410 local terms energy: -279.297980 where: bonds (distance) C4'-P energy: -50.249 bonds (distance) P-C4' energy: -63.459 flat angles C4'-P-C4' energy: -70.451 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -55.265 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: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -598.501540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.501540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.501540 (E_RNA) where: Base-Base interactions energy: -368.810 where: short stacking energy: -174.085 Base-Backbone interact. energy: 0.101 local terms energy: -229.793087 where: bonds (distance) C4'-P energy: -49.198 bonds (distance) P-C4' energy: -55.860 flat angles C4'-P-C4' energy: -53.605 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -27.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -435.112027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.112027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.112027 (E_RNA) where: Base-Base interactions energy: -206.723 where: short stacking energy: -129.115 Base-Backbone interact. energy: 0.015 local terms energy: -228.403948 where: bonds (distance) C4'-P energy: -60.823 bonds (distance) P-C4' energy: -63.069 flat angles C4'-P-C4' energy: -64.406 flat angles P-C4'-P energy: -24.737 tors. eta vs tors. theta energy: -15.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1354.609512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.609512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.609512 (E_RNA) where: Base-Base interactions energy: -959.585 where: short stacking energy: -404.054 Base-Backbone interact. energy: -0.555 local terms energy: -394.469793 where: bonds (distance) C4'-P energy: -61.778 bonds (distance) P-C4' energy: -79.299 flat angles C4'-P-C4' energy: -82.219 flat angles P-C4'-P energy: -59.029 tors. eta vs tors. theta energy: -112.144 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: 2, replica: 7 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1242.206680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.206680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.206680 (E_RNA) where: Base-Base interactions energy: -889.192 where: short stacking energy: -346.279 Base-Backbone interact. energy: -1.593 local terms energy: -351.422536 where: bonds (distance) C4'-P energy: -59.792 bonds (distance) P-C4' energy: -66.742 flat angles C4'-P-C4' energy: -83.629 flat angles P-C4'-P energy: -51.816 tors. eta vs tors. theta energy: -89.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1242.027252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.027252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.027252 (E_RNA) where: Base-Base interactions energy: -887.244 where: short stacking energy: -374.291 Base-Backbone interact. energy: -0.465 local terms energy: -354.317995 where: bonds (distance) C4'-P energy: -65.982 bonds (distance) P-C4' energy: -52.435 flat angles C4'-P-C4' energy: -75.775 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -107.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1138.749784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.749784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.749784 (E_RNA) where: Base-Base interactions energy: -802.994 where: short stacking energy: -321.372 Base-Backbone interact. energy: -2.832 local terms energy: -332.922930 where: bonds (distance) C4'-P energy: -60.516 bonds (distance) P-C4' energy: -62.365 flat angles C4'-P-C4' energy: -79.109 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -86.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1047.120245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.120245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.120245 (E_RNA) where: Base-Base interactions energy: -739.248 where: short stacking energy: -305.842 Base-Backbone interact. energy: -0.728 local terms energy: -307.145026 where: bonds (distance) C4'-P energy: -64.300 bonds (distance) P-C4' energy: -71.604 flat angles C4'-P-C4' energy: -66.666 flat angles P-C4'-P energy: -27.110 tors. eta vs tors. theta energy: -77.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1002.542059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.542059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.542059 (E_RNA) where: Base-Base interactions energy: -679.990 where: short stacking energy: -294.259 Base-Backbone interact. energy: -0.743 local terms energy: -321.809717 where: bonds (distance) C4'-P energy: -63.714 bonds (distance) P-C4' energy: -62.418 flat angles C4'-P-C4' energy: -68.319 flat angles P-C4'-P energy: -47.978 tors. eta vs tors. theta energy: -79.381 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: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -847.343101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.343101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.343101 (E_RNA) where: Base-Base interactions energy: -570.042 where: short stacking energy: -264.563 Base-Backbone interact. energy: 1.400 local terms energy: -278.701315 where: bonds (distance) C4'-P energy: -49.501 bonds (distance) P-C4' energy: -58.094 flat angles C4'-P-C4' energy: -72.212 flat angles P-C4'-P energy: -40.259 tors. eta vs tors. theta energy: -58.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -832.256074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.256074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.256074 (E_RNA) where: Base-Base interactions energy: -550.994 where: short stacking energy: -241.206 Base-Backbone interact. energy: 0.756 local terms energy: -282.017436 where: bonds (distance) C4'-P energy: -65.711 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -62.036 flat angles P-C4'-P energy: -35.197 tors. eta vs tors. theta energy: -59.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -637.825942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.825942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.825942 (E_RNA) where: Base-Base interactions energy: -380.992 where: short stacking energy: -198.598 Base-Backbone interact. energy: 7.229 local terms energy: -264.062963 where: bonds (distance) C4'-P energy: -56.871 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -52.200 flat angles P-C4'-P energy: -46.935 tors. eta vs tors. theta energy: -46.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -406.666550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.666550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.666550 (E_RNA) where: Base-Base interactions energy: -212.774 where: short stacking energy: -115.991 Base-Backbone interact. energy: -0.773 local terms energy: -193.119874 where: bonds (distance) C4'-P energy: -53.416 bonds (distance) P-C4' energy: -60.301 flat angles C4'-P-C4' energy: -49.200 flat angles P-C4'-P energy: -37.533 tors. eta vs tors. theta energy: 7.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1346.087423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.087423 (E_RNA) where: Base-Base interactions energy: -961.107 where: short stacking energy: -394.986 Base-Backbone interact. energy: -0.648 local terms energy: -384.332826 where: bonds (distance) C4'-P energy: -68.613 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -76.485 flat angles P-C4'-P energy: -59.173 tors. eta vs tors. theta energy: -113.592 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: 7 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1261.519605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.519605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.519605 (E_RNA) where: Base-Base interactions energy: -915.789 where: short stacking energy: -359.754 Base-Backbone interact. energy: -2.192 local terms energy: -343.538842 where: bonds (distance) C4'-P energy: -74.489 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -71.471 flat angles P-C4'-P energy: -44.560 tors. eta vs tors. theta energy: -88.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1241.393090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.393090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.393090 (E_RNA) where: Base-Base interactions energy: -862.437 where: short stacking energy: -372.044 Base-Backbone interact. energy: -1.120 local terms energy: -377.836729 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -62.283 flat angles C4'-P-C4' energy: -79.409 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -114.245 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: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1119.972892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.972892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.972892 (E_RNA) where: Base-Base interactions energy: -794.309 where: short stacking energy: -326.385 Base-Backbone interact. energy: -0.639 local terms energy: -325.025348 where: bonds (distance) C4'-P energy: -57.823 bonds (distance) P-C4' energy: -69.437 flat angles C4'-P-C4' energy: -70.478 flat angles P-C4'-P energy: -48.420 tors. eta vs tors. theta energy: -78.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1070.661746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.661746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.661746 (E_RNA) where: Base-Base interactions energy: -759.600 where: short stacking energy: -303.597 Base-Backbone interact. energy: -2.179 local terms energy: -308.882804 where: bonds (distance) C4'-P energy: -48.808 bonds (distance) P-C4' energy: -59.513 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -49.216 tors. eta vs tors. theta energy: -85.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1018.522967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.522967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.522967 (E_RNA) where: Base-Base interactions energy: -705.853 where: short stacking energy: -311.632 Base-Backbone interact. energy: -3.645 local terms energy: -309.025577 where: bonds (distance) C4'-P energy: -69.947 bonds (distance) P-C4' energy: -59.581 flat angles C4'-P-C4' energy: -63.508 flat angles P-C4'-P energy: -36.932 tors. eta vs tors. theta energy: -79.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -885.191720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.191720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.191720 (E_RNA) where: Base-Base interactions energy: -600.095 where: short stacking energy: -254.653 Base-Backbone interact. energy: -1.381 local terms energy: -283.715241 where: bonds (distance) C4'-P energy: -55.825 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -69.201 flat angles P-C4'-P energy: -39.680 tors. eta vs tors. theta energy: -55.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -825.154001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.154001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.154001 (E_RNA) where: Base-Base interactions energy: -539.584 where: short stacking energy: -236.882 Base-Backbone interact. energy: -1.477 local terms energy: -284.092912 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -63.025 flat angles C4'-P-C4' energy: -69.477 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -55.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -683.906393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.906393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.906393 (E_RNA) where: Base-Base interactions energy: -440.927 where: short stacking energy: -232.247 Base-Backbone interact. energy: 1.917 local terms energy: -244.895742 where: bonds (distance) C4'-P energy: -47.478 bonds (distance) P-C4' energy: -56.537 flat angles C4'-P-C4' energy: -54.184 flat angles P-C4'-P energy: -40.652 tors. eta vs tors. theta energy: -46.045 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: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -398.230129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.230129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.230129 (E_RNA) where: Base-Base interactions energy: -205.614 where: short stacking energy: -134.262 Base-Backbone interact. energy: 1.419 local terms energy: -194.034945 where: bonds (distance) C4'-P energy: -65.821 bonds (distance) P-C4' energy: -57.435 flat angles C4'-P-C4' energy: -31.541 flat angles P-C4'-P energy: -27.570 tors. eta vs tors. theta energy: -11.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1339.816690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.816690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.816690 (E_RNA) where: Base-Base interactions energy: -948.693 where: short stacking energy: -386.957 Base-Backbone interact. energy: -1.984 local terms energy: -389.139349 where: bonds (distance) C4'-P energy: -76.138 bonds (distance) P-C4' energy: -73.585 flat angles C4'-P-C4' energy: -73.218 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -109.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1271.844231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.844231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.844231 (E_RNA) where: Base-Base interactions energy: -909.821 where: short stacking energy: -369.898 Base-Backbone interact. energy: -0.117 local terms energy: -361.906294 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -66.533 flat angles C4'-P-C4' energy: -78.433 flat angles P-C4'-P energy: -52.589 tors. eta vs tors. theta energy: -93.730 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: 297 Temperature: 1.000000 Total energy: -1246.584781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.584781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.584781 (E_RNA) where: Base-Base interactions energy: -870.286 where: short stacking energy: -383.756 Base-Backbone interact. energy: 0.637 local terms energy: -376.936037 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -63.988 flat angles C4'-P-C4' energy: -79.463 flat angles P-C4'-P energy: -52.560 tors. eta vs tors. theta energy: -118.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1133.508375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.508375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.508375 (E_RNA) where: Base-Base interactions energy: -806.861 where: short stacking energy: -340.471 Base-Backbone interact. energy: -0.810 local terms energy: -325.837094 where: bonds (distance) C4'-P energy: -50.826 bonds (distance) P-C4' energy: -70.514 flat angles C4'-P-C4' energy: -74.199 flat angles P-C4'-P energy: -36.706 tors. eta vs tors. theta energy: -93.593 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: 297 Temperature: 1.100000 Total energy: -1086.799710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.799710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.799710 (E_RNA) where: Base-Base interactions energy: -770.830 where: short stacking energy: -311.545 Base-Backbone interact. energy: 1.770 local terms energy: -317.740314 where: bonds (distance) C4'-P energy: -60.409 bonds (distance) P-C4' energy: -70.537 flat angles C4'-P-C4' energy: -75.278 flat angles P-C4'-P energy: -40.849 tors. eta vs tors. theta energy: -70.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1029.957342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.957342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.957342 (E_RNA) where: Base-Base interactions energy: -701.776 where: short stacking energy: -274.089 Base-Backbone interact. energy: 0.842 local terms energy: -329.022434 where: bonds (distance) C4'-P energy: -62.151 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -72.163 flat angles P-C4'-P energy: -54.251 tors. eta vs tors. theta energy: -75.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -857.687207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.687207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.687207 (E_RNA) where: Base-Base interactions energy: -551.817 where: short stacking energy: -254.778 Base-Backbone interact. energy: 4.498 local terms energy: -310.368367 where: bonds (distance) C4'-P energy: -56.547 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -52.057 tors. eta vs tors. theta energy: -68.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -883.884340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.884340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.884340 (E_RNA) where: Base-Base interactions energy: -598.824 where: short stacking energy: -269.124 Base-Backbone interact. energy: 0.888 local terms energy: -285.947714 where: bonds (distance) C4'-P energy: -57.151 bonds (distance) P-C4' energy: -57.187 flat angles C4'-P-C4' energy: -62.083 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -64.764 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: 297 Temperature: 1.300000 Total energy: -676.284298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.284298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.284298 (E_RNA) where: Base-Base interactions energy: -436.063 where: short stacking energy: -193.929 Base-Backbone interact. energy: -0.635 local terms energy: -239.587016 where: bonds (distance) C4'-P energy: -46.089 bonds (distance) P-C4' energy: -55.183 flat angles C4'-P-C4' energy: -57.116 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: -36.045 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: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -409.524025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.524025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.524025 (E_RNA) where: Base-Base interactions energy: -215.094 where: short stacking energy: -125.355 Base-Backbone interact. energy: 0.664 local terms energy: -195.093725 where: bonds (distance) C4'-P energy: -51.843 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -55.103 flat angles P-C4'-P energy: -19.878 tors. eta vs tors. theta energy: -8.769 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: 298 Temperature: 0.900000 Total energy: -1332.207367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.207367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.207367 (E_RNA) where: Base-Base interactions energy: -960.686 where: short stacking energy: -392.881 Base-Backbone interact. energy: -1.220 local terms energy: -370.301952 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -60.583 flat angles C4'-P-C4' energy: -68.000 flat angles P-C4'-P energy: -58.623 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: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1265.789202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.789202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.789202 (E_RNA) where: Base-Base interactions energy: -894.466 where: short stacking energy: -375.907 Base-Backbone interact. energy: 1.125 local terms energy: -372.447643 where: bonds (distance) C4'-P energy: -64.571 bonds (distance) P-C4' energy: -77.867 flat angles C4'-P-C4' energy: -72.367 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -99.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1239.064299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.064299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.064299 (E_RNA) where: Base-Base interactions energy: -864.194 where: short stacking energy: -367.816 Base-Backbone interact. energy: -0.661 local terms energy: -374.208921 where: bonds (distance) C4'-P energy: -62.927 bonds (distance) P-C4' energy: -77.305 flat angles C4'-P-C4' energy: -74.051 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -112.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1119.087509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.087509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.087509 (E_RNA) where: Base-Base interactions energy: -780.574 where: short stacking energy: -334.736 Base-Backbone interact. energy: -0.444 local terms energy: -338.069467 where: bonds (distance) C4'-P energy: -67.071 bonds (distance) P-C4' energy: -57.091 flat angles C4'-P-C4' energy: -70.375 flat angles P-C4'-P energy: -53.459 tors. eta vs tors. theta energy: -90.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1110.883655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.883655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.883655 (E_RNA) where: Base-Base interactions energy: -782.967 where: short stacking energy: -303.650 Base-Backbone interact. energy: 4.807 local terms energy: -332.723181 where: bonds (distance) C4'-P energy: -69.754 bonds (distance) P-C4' energy: -70.492 flat angles C4'-P-C4' energy: -78.870 flat angles P-C4'-P energy: -37.110 tors. eta vs tors. theta energy: -76.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1020.308605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.308605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.308605 (E_RNA) where: Base-Base interactions energy: -721.874 where: short stacking energy: -323.045 Base-Backbone interact. energy: 4.242 local terms energy: -302.676034 where: bonds (distance) C4'-P energy: -57.005 bonds (distance) P-C4' energy: -45.416 flat angles C4'-P-C4' energy: -72.492 flat angles P-C4'-P energy: -42.906 tors. eta vs tors. theta energy: -84.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -890.276549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.276549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.276549 (E_RNA) where: Base-Base interactions energy: -599.733 where: short stacking energy: -263.303 Base-Backbone interact. energy: -0.045 local terms energy: -290.498960 where: bonds (distance) C4'-P energy: -47.963 bonds (distance) P-C4' energy: -74.601 flat angles C4'-P-C4' energy: -63.418 flat angles P-C4'-P energy: -42.952 tors. eta vs tors. theta energy: -61.565 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: 3 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -768.273215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.273215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.273215 (E_RNA) where: Base-Base interactions energy: -501.787 where: short stacking energy: -231.128 Base-Backbone interact. energy: 0.144 local terms energy: -266.629609 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -50.275 flat angles C4'-P-C4' energy: -60.559 flat angles P-C4'-P energy: -39.694 tors. eta vs tors. theta energy: -59.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -674.041507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.041507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.041507 (E_RNA) where: Base-Base interactions energy: -435.495 where: short stacking energy: -203.615 Base-Backbone interact. energy: 2.062 local terms energy: -240.608470 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -66.778 flat angles C4'-P-C4' energy: -58.581 flat angles P-C4'-P energy: -24.719 tors. eta vs tors. theta energy: -33.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -407.335809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.335809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.335809 (E_RNA) where: Base-Base interactions energy: -211.228 where: short stacking energy: -127.379 Base-Backbone interact. energy: 2.626 local terms energy: -198.733800 where: bonds (distance) C4'-P energy: -55.251 bonds (distance) P-C4' energy: -47.989 flat angles C4'-P-C4' energy: -54.965 flat angles P-C4'-P energy: -28.094 tors. eta vs tors. theta energy: -12.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1344.405727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.405727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.405727 (E_RNA) where: Base-Base interactions energy: -953.305 where: short stacking energy: -394.391 Base-Backbone interact. energy: -1.371 local terms energy: -389.729293 where: bonds (distance) C4'-P energy: -69.222 bonds (distance) P-C4' energy: -71.599 flat angles C4'-P-C4' energy: -73.178 flat angles P-C4'-P energy: -59.771 tors. eta vs tors. theta energy: -115.958 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: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1273.911259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.911259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.911259 (E_RNA) where: Base-Base interactions energy: -909.831 where: short stacking energy: -375.162 Base-Backbone interact. energy: 0.333 local terms energy: -364.413189 where: bonds (distance) C4'-P energy: -63.640 bonds (distance) P-C4' energy: -73.481 flat angles C4'-P-C4' energy: -81.638 flat angles P-C4'-P energy: -52.562 tors. eta vs tors. theta energy: -93.092 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: 9 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1221.081162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.081162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.081162 (E_RNA) where: Base-Base interactions energy: -870.650 where: short stacking energy: -375.989 Base-Backbone interact. energy: 0.370 local terms energy: -350.801826 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -71.616 flat angles C4'-P-C4' energy: -76.970 flat angles P-C4'-P energy: -42.231 tors. eta vs tors. theta energy: -107.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1137.861229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.861229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.861229 (E_RNA) where: Base-Base interactions energy: -805.356 where: short stacking energy: -323.605 Base-Backbone interact. energy: 0.566 local terms energy: -333.071476 where: bonds (distance) C4'-P energy: -62.987 bonds (distance) P-C4' energy: -65.688 flat angles C4'-P-C4' energy: -80.655 flat angles P-C4'-P energy: -51.801 tors. eta vs tors. theta energy: -71.940 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: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1083.826928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.826928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.826928 (E_RNA) where: Base-Base interactions energy: -741.658 where: short stacking energy: -313.703 Base-Backbone interact. energy: 0.644 local terms energy: -342.812931 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -63.514 flat angles C4'-P-C4' energy: -76.787 flat angles P-C4'-P energy: -46.152 tors. eta vs tors. theta energy: -85.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1068.592358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.592358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.592358 (E_RNA) where: Base-Base interactions energy: -754.529 where: short stacking energy: -311.911 Base-Backbone interact. energy: -2.569 local terms energy: -311.493881 where: bonds (distance) C4'-P energy: -64.042 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -61.793 flat angles P-C4'-P energy: -47.357 tors. eta vs tors. theta energy: -73.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -858.013581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.013581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.013581 (E_RNA) where: Base-Base interactions energy: -587.566 where: short stacking energy: -262.868 Base-Backbone interact. energy: -0.091 local terms energy: -270.356873 where: bonds (distance) C4'-P energy: -59.610 bonds (distance) P-C4' energy: -52.340 flat angles C4'-P-C4' energy: -68.290 flat angles P-C4'-P energy: -31.398 tors. eta vs tors. theta energy: -58.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -783.759649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.759649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.759649 (E_RNA) where: Base-Base interactions energy: -532.704 where: short stacking energy: -259.677 Base-Backbone interact. energy: 1.329 local terms energy: -252.384733 where: bonds (distance) C4'-P energy: -39.285 bonds (distance) P-C4' energy: -61.770 flat angles C4'-P-C4' energy: -55.524 flat angles P-C4'-P energy: -37.907 tors. eta vs tors. theta energy: -57.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -686.248089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.248089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.248089 (E_RNA) where: Base-Base interactions energy: -440.373 where: short stacking energy: -222.676 Base-Backbone interact. energy: -0.914 local terms energy: -244.961445 where: bonds (distance) C4'-P energy: -42.465 bonds (distance) P-C4' energy: -65.231 flat angles C4'-P-C4' energy: -63.627 flat angles P-C4'-P energy: -36.560 tors. eta vs tors. theta energy: -37.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -427.984120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.984120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.984120 (E_RNA) where: Base-Base interactions energy: -203.193 where: short stacking energy: -113.159 Base-Backbone interact. energy: 0.727 local terms energy: -225.518329 where: bonds (distance) C4'-P energy: -67.316 bonds (distance) P-C4' energy: -57.079 flat angles C4'-P-C4' energy: -56.278 flat angles P-C4'-P energy: -35.353 tors. eta vs tors. theta energy: -9.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1326.607293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.607293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.607293 (E_RNA) where: Base-Base interactions energy: -944.891 where: short stacking energy: -407.409 Base-Backbone interact. energy: -1.357 local terms energy: -380.359334 where: bonds (distance) C4'-P energy: -63.269 bonds (distance) P-C4' energy: -68.496 flat angles C4'-P-C4' energy: -75.078 flat angles P-C4'-P energy: -61.047 tors. eta vs tors. theta energy: -112.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1263.258487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.258487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.258487 (E_RNA) where: Base-Base interactions energy: -884.206 where: short stacking energy: -367.172 Base-Backbone interact. energy: -1.781 local terms energy: -377.270749 where: bonds (distance) C4'-P energy: -71.647 bonds (distance) P-C4' energy: -76.925 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -51.133 tors. eta vs tors. theta energy: -97.097 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: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1228.508376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.508376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.508376 (E_RNA) where: Base-Base interactions energy: -872.794 where: short stacking energy: -372.387 Base-Backbone interact. energy: -0.630 local terms energy: -355.084245 where: bonds (distance) C4'-P energy: -68.463 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -49.664 tors. eta vs tors. theta energy: -104.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1141.859817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.859817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.859817 (E_RNA) where: Base-Base interactions energy: -812.730 where: short stacking energy: -334.162 Base-Backbone interact. energy: -1.716 local terms energy: -327.413562 where: bonds (distance) C4'-P energy: -65.077 bonds (distance) P-C4' energy: -62.446 flat angles C4'-P-C4' energy: -74.902 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -79.118 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: 5, replica: 5 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1080.824679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.824679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.824679 (E_RNA) where: Base-Base interactions energy: -766.347 where: short stacking energy: -297.060 Base-Backbone interact. energy: -2.950 local terms energy: -311.527615 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -59.855 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -77.627 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1016.249007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.249007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.249007 (E_RNA) where: Base-Base interactions energy: -702.431 where: short stacking energy: -279.106 Base-Backbone interact. energy: -0.521 local terms energy: -313.297098 where: bonds (distance) C4'-P energy: -59.233 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -67.087 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -79.753 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: 10 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -861.270653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.270653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.270653 (E_RNA) where: Base-Base interactions energy: -583.624 where: short stacking energy: -272.413 Base-Backbone interact. energy: -1.550 local terms energy: -276.096892 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -63.566 flat angles P-C4'-P energy: -33.507 tors. eta vs tors. theta energy: -67.532 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: 300 Temperature: 1.250000 Total energy: -812.258743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.258743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.258743 (E_RNA) where: Base-Base interactions energy: -524.461 where: short stacking energy: -243.135 Base-Backbone interact. energy: -1.329 local terms energy: -286.467969 where: bonds (distance) C4'-P energy: -54.673 bonds (distance) P-C4' energy: -57.994 flat angles C4'-P-C4' energy: -72.874 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -63.270 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -711.168577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.168577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.168577 (E_RNA) where: Base-Base interactions energy: -464.422 where: short stacking energy: -218.455 Base-Backbone interact. energy: 0.221 local terms energy: -246.968258 where: bonds (distance) C4'-P energy: -49.769 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -60.538 flat angles P-C4'-P energy: -33.528 tors. eta vs tors. theta energy: -34.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -450.927900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.927900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.927900 (E_RNA) where: Base-Base interactions energy: -217.679 where: short stacking energy: -136.868 Base-Backbone interact. energy: 2.479 local terms energy: -235.727769 where: bonds (distance) C4'-P energy: -57.022 bonds (distance) P-C4' energy: -72.026 flat angles C4'-P-C4' energy: -52.977 flat angles P-C4'-P energy: -29.664 tors. eta vs tors. theta energy: -24.038 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: 4 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1341.977094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.977094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.977094 (E_RNA) where: Base-Base interactions energy: -953.145 where: short stacking energy: -397.664 Base-Backbone interact. energy: 2.173 local terms energy: -391.004935 where: bonds (distance) C4'-P energy: -70.219 bonds (distance) P-C4' energy: -73.455 flat angles C4'-P-C4' energy: -72.770 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -117.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1268.498216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.498216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.498216 (E_RNA) where: Base-Base interactions energy: -912.209 where: short stacking energy: -371.846 Base-Backbone interact. energy: -1.309 local terms energy: -354.979742 where: bonds (distance) C4'-P energy: -65.796 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -77.223 flat angles P-C4'-P energy: -51.502 tors. eta vs tors. theta energy: -97.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1234.492447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.492447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.492447 (E_RNA) where: Base-Base interactions energy: -856.178 where: short stacking energy: -369.723 Base-Backbone interact. energy: -1.214 local terms energy: -377.099912 where: bonds (distance) C4'-P energy: -69.593 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -82.619 flat angles P-C4'-P energy: -54.630 tors. eta vs tors. theta energy: -108.078 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: 301 Temperature: 1.050000 Total energy: -1153.180767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.180767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.180767 (E_RNA) where: Base-Base interactions energy: -816.667 where: short stacking energy: -338.412 Base-Backbone interact. energy: -1.413 local terms energy: -335.101069 where: bonds (distance) C4'-P energy: -57.989 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -84.759 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -83.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1095.280710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.280710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.280710 (E_RNA) where: Base-Base interactions energy: -770.662 where: short stacking energy: -331.662 Base-Backbone interact. energy: 0.960 local terms energy: -325.578315 where: bonds (distance) C4'-P energy: -58.143 bonds (distance) P-C4' energy: -61.635 flat angles C4'-P-C4' energy: -69.409 flat angles P-C4'-P energy: -49.587 tors. eta vs tors. theta energy: -86.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1035.063391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.063391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.063391 (E_RNA) where: Base-Base interactions energy: -729.710 where: short stacking energy: -310.847 Base-Backbone interact. energy: -1.569 local terms energy: -303.783992 where: bonds (distance) C4'-P energy: -48.688 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -63.846 flat angles P-C4'-P energy: -48.166 tors. eta vs tors. theta energy: -74.751 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: 10 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -889.588775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.588775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.588775 (E_RNA) where: Base-Base interactions energy: -586.098 where: short stacking energy: -238.570 Base-Backbone interact. energy: -1.262 local terms energy: -302.228535 where: bonds (distance) C4'-P energy: -71.645 bonds (distance) P-C4' energy: -56.845 flat angles C4'-P-C4' energy: -63.080 flat angles P-C4'-P energy: -49.589 tors. eta vs tors. theta energy: -61.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -807.706724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.706724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.706724 (E_RNA) where: Base-Base interactions energy: -518.191 where: short stacking energy: -253.370 Base-Backbone interact. energy: 0.443 local terms energy: -289.958472 where: bonds (distance) C4'-P energy: -51.355 bonds (distance) P-C4' energy: -65.527 flat angles C4'-P-C4' energy: -76.070 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -55.463 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: 9, replica: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -712.153042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.153042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.153042 (E_RNA) where: Base-Base interactions energy: -445.292 where: short stacking energy: -217.926 Base-Backbone interact. energy: 2.702 local terms energy: -269.563457 where: bonds (distance) C4'-P energy: -55.008 bonds (distance) P-C4' energy: -63.226 flat angles C4'-P-C4' energy: -65.956 flat angles P-C4'-P energy: -33.256 tors. eta vs tors. theta energy: -52.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -395.696454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.696454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.696454 (E_RNA) where: Base-Base interactions energy: -184.151 where: short stacking energy: -111.282 Base-Backbone interact. energy: -0.757 local terms energy: -210.788353 where: bonds (distance) C4'-P energy: -39.032 bonds (distance) P-C4' energy: -75.691 flat angles C4'-P-C4' energy: -58.141 flat angles P-C4'-P energy: -19.426 tors. eta vs tors. theta energy: -18.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1342.951989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.951989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.951989 (E_RNA) where: Base-Base interactions energy: -955.585 where: short stacking energy: -403.473 Base-Backbone interact. energy: -1.857 local terms energy: -385.510163 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -73.479 flat angles C4'-P-C4' energy: -79.601 flat angles P-C4'-P energy: -49.437 tors. eta vs tors. theta energy: -121.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1251.928708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.928708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.928708 (E_RNA) where: Base-Base interactions energy: -894.353 where: short stacking energy: -339.887 Base-Backbone interact. energy: 0.438 local terms energy: -358.013645 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -72.831 flat angles C4'-P-C4' energy: -82.936 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -88.820 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: 9 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1211.143557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.143557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.143557 (E_RNA) where: Base-Base interactions energy: -856.623 where: short stacking energy: -361.985 Base-Backbone interact. energy: -0.480 local terms energy: -354.041104 where: bonds (distance) C4'-P energy: -58.865 bonds (distance) P-C4' energy: -71.157 flat angles C4'-P-C4' energy: -74.300 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: -100.439 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: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1139.460310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.460310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.460310 (E_RNA) where: Base-Base interactions energy: -801.658 where: short stacking energy: -331.010 Base-Backbone interact. energy: 7.902 local terms energy: -345.703881 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -67.400 flat angles C4'-P-C4' energy: -76.112 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: -83.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1094.584406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.584406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.584406 (E_RNA) where: Base-Base interactions energy: -755.671 where: short stacking energy: -328.280 Base-Backbone interact. energy: 1.280 local terms energy: -340.193238 where: bonds (distance) C4'-P energy: -61.088 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: -88.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1063.212101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.212101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.212101 (E_RNA) where: Base-Base interactions energy: -757.403 where: short stacking energy: -296.202 Base-Backbone interact. energy: -0.913 local terms energy: -304.896142 where: bonds (distance) C4'-P energy: -53.859 bonds (distance) P-C4' energy: -54.908 flat angles C4'-P-C4' energy: -63.337 flat angles P-C4'-P energy: -56.256 tors. eta vs tors. theta energy: -76.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -832.625687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.625687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.625687 (E_RNA) where: Base-Base interactions energy: -540.033 where: short stacking energy: -237.019 Base-Backbone interact. energy: 1.495 local terms energy: -294.087947 where: bonds (distance) C4'-P energy: -59.820 bonds (distance) P-C4' energy: -55.181 flat angles C4'-P-C4' energy: -64.735 flat angles P-C4'-P energy: -44.630 tors. eta vs tors. theta energy: -69.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -857.312224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.312224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.312224 (E_RNA) where: Base-Base interactions energy: -588.555 where: short stacking energy: -245.010 Base-Backbone interact. energy: -0.335 local terms energy: -268.422240 where: bonds (distance) C4'-P energy: -64.560 bonds (distance) P-C4' energy: -57.527 flat angles C4'-P-C4' energy: -56.134 flat angles P-C4'-P energy: -26.773 tors. eta vs tors. theta energy: -63.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -690.049338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.049338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.049338 (E_RNA) where: Base-Base interactions energy: -432.289 where: short stacking energy: -212.378 Base-Backbone interact. energy: 1.736 local terms energy: -259.495818 where: bonds (distance) C4'-P energy: -47.149 bonds (distance) P-C4' energy: -64.567 flat angles C4'-P-C4' energy: -64.241 flat angles P-C4'-P energy: -41.976 tors. eta vs tors. theta energy: -41.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -413.869538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.869538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.869538 (E_RNA) where: Base-Base interactions energy: -195.341 where: short stacking energy: -128.497 Base-Backbone interact. energy: -0.664 local terms energy: -217.863830 where: bonds (distance) C4'-P energy: -48.994 bonds (distance) P-C4' energy: -55.648 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -44.966 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1348.500098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.500098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.500098 (E_RNA) where: Base-Base interactions energy: -951.774 where: short stacking energy: -404.265 Base-Backbone interact. energy: -0.838 local terms energy: -395.888088 where: bonds (distance) C4'-P energy: -68.339 bonds (distance) P-C4' energy: -72.566 flat angles C4'-P-C4' energy: -75.552 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -117.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1290.158557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.158557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.158557 (E_RNA) where: Base-Base interactions energy: -927.185 where: short stacking energy: -361.726 Base-Backbone interact. energy: -0.203 local terms energy: -362.770578 where: bonds (distance) C4'-P energy: -73.589 bonds (distance) P-C4' energy: -72.631 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -95.504 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: 303 Temperature: 1.000000 Total energy: -1243.133851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.133851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.133851 (E_RNA) where: Base-Base interactions energy: -864.442 where: short stacking energy: -363.141 Base-Backbone interact. energy: -0.546 local terms energy: -378.146014 where: bonds (distance) C4'-P energy: -68.448 bonds (distance) P-C4' energy: -67.065 flat angles C4'-P-C4' energy: -78.930 flat angles P-C4'-P energy: -58.706 tors. eta vs tors. theta energy: -104.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1139.531539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.531539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.531539 (E_RNA) where: Base-Base interactions energy: -817.538 where: short stacking energy: -323.214 Base-Backbone interact. energy: 1.804 local terms energy: -323.797484 where: bonds (distance) C4'-P energy: -66.301 bonds (distance) P-C4' energy: -65.305 flat angles C4'-P-C4' energy: -71.545 flat angles P-C4'-P energy: -39.469 tors. eta vs tors. theta energy: -81.178 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: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1070.435858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.435858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.435858 (E_RNA) where: Base-Base interactions energy: -741.298 where: short stacking energy: -300.863 Base-Backbone interact. energy: 0.324 local terms energy: -329.461905 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -65.605 flat angles C4'-P-C4' energy: -72.837 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -74.746 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: 8 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1065.813817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.813817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.813817 (E_RNA) where: Base-Base interactions energy: -746.339 where: short stacking energy: -308.071 Base-Backbone interact. energy: -1.917 local terms energy: -317.558257 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -69.832 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -81.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -858.103306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.103306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.103306 (E_RNA) where: Base-Base interactions energy: -579.335 where: short stacking energy: -266.237 Base-Backbone interact. energy: -0.870 local terms energy: -277.898360 where: bonds (distance) C4'-P energy: -55.502 bonds (distance) P-C4' energy: -51.791 flat angles C4'-P-C4' energy: -65.345 flat angles P-C4'-P energy: -40.822 tors. eta vs tors. theta energy: -64.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -817.347427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.347427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.347427 (E_RNA) where: Base-Base interactions energy: -567.154 where: short stacking energy: -245.911 Base-Backbone interact. energy: 2.457 local terms energy: -252.650466 where: bonds (distance) C4'-P energy: -57.385 bonds (distance) P-C4' energy: -44.356 flat angles C4'-P-C4' energy: -67.498 flat angles P-C4'-P energy: -34.867 tors. eta vs tors. theta energy: -48.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -667.494599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.494599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.494599 (E_RNA) where: Base-Base interactions energy: -418.055 where: short stacking energy: -187.940 Base-Backbone interact. energy: -1.255 local terms energy: -248.184556 where: bonds (distance) C4'-P energy: -52.008 bonds (distance) P-C4' energy: -60.418 flat angles C4'-P-C4' energy: -52.622 flat angles P-C4'-P energy: -34.303 tors. eta vs tors. theta energy: -48.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -432.343912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.343912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.343912 (E_RNA) where: Base-Base interactions energy: -224.401 where: short stacking energy: -152.053 Base-Backbone interact. energy: -0.490 local terms energy: -207.453095 where: bonds (distance) C4'-P energy: -65.000 bonds (distance) P-C4' energy: -47.631 flat angles C4'-P-C4' energy: -55.805 flat angles P-C4'-P energy: -19.364 tors. eta vs tors. theta energy: -19.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1346.540650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.540650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.540650 (E_RNA) where: Base-Base interactions energy: -955.794 where: short stacking energy: -398.046 Base-Backbone interact. energy: -1.800 local terms energy: -388.945995 where: bonds (distance) C4'-P energy: -65.654 bonds (distance) P-C4' energy: -71.184 flat angles C4'-P-C4' energy: -79.271 flat angles P-C4'-P energy: -52.838 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: 2, replica: 7 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1270.673568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.673568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.673568 (E_RNA) where: Base-Base interactions energy: -906.321 where: short stacking energy: -360.875 Base-Backbone interact. energy: -1.465 local terms energy: -362.887068 where: bonds (distance) C4'-P energy: -62.354 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -95.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1176.373175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.373175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.373175 (E_RNA) where: Base-Base interactions energy: -840.366 where: short stacking energy: -334.050 Base-Backbone interact. energy: 0.698 local terms energy: -336.704418 where: bonds (distance) C4'-P energy: -73.127 bonds (distance) P-C4' energy: -63.057 flat angles C4'-P-C4' energy: -74.791 flat angles P-C4'-P energy: -40.540 tors. eta vs tors. theta energy: -85.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1211.917342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.917342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.917342 (E_RNA) where: Base-Base interactions energy: -872.732 where: short stacking energy: -371.777 Base-Backbone interact. energy: 1.540 local terms energy: -340.725169 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -61.724 flat angles C4'-P-C4' energy: -67.726 flat angles P-C4'-P energy: -45.310 tors. eta vs tors. theta energy: -107.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1064.195047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.195047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.195047 (E_RNA) where: Base-Base interactions energy: -743.983 where: short stacking energy: -282.920 Base-Backbone interact. energy: -0.571 local terms energy: -319.640627 where: bonds (distance) C4'-P energy: -59.883 bonds (distance) P-C4' energy: -62.891 flat angles C4'-P-C4' energy: -78.435 flat angles P-C4'-P energy: -43.160 tors. eta vs tors. theta energy: -75.272 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: 304 Temperature: 1.150000 Total energy: -1041.497840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.497840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.497840 (E_RNA) where: Base-Base interactions energy: -741.597 where: short stacking energy: -312.165 Base-Backbone interact. energy: 3.004 local terms energy: -302.904712 where: bonds (distance) C4'-P energy: -49.160 bonds (distance) P-C4' energy: -61.642 flat angles C4'-P-C4' energy: -67.148 flat angles P-C4'-P energy: -44.596 tors. eta vs tors. theta energy: -80.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -863.958369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.958369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.958369 (E_RNA) where: Base-Base interactions energy: -581.743 where: short stacking energy: -256.319 Base-Backbone interact. energy: 1.859 local terms energy: -284.074127 where: bonds (distance) C4'-P energy: -44.364 bonds (distance) P-C4' energy: -64.422 flat angles C4'-P-C4' energy: -69.886 flat angles P-C4'-P energy: -45.298 tors. eta vs tors. theta energy: -60.105 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: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -806.842566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.842566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.842566 (E_RNA) where: Base-Base interactions energy: -527.708 where: short stacking energy: -244.235 Base-Backbone interact. energy: -1.342 local terms energy: -277.792649 where: bonds (distance) C4'-P energy: -57.598 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -59.648 flat angles P-C4'-P energy: -40.700 tors. eta vs tors. theta energy: -59.858 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: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -648.723525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.723525 (E_RNA) where: Base-Base interactions energy: -392.212 where: short stacking energy: -195.972 Base-Backbone interact. energy: -1.223 local terms energy: -255.288866 where: bonds (distance) C4'-P energy: -60.766 bonds (distance) P-C4' energy: -70.627 flat angles C4'-P-C4' energy: -56.731 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -29.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -415.025704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.025704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.025704 (E_RNA) where: Base-Base interactions energy: -212.098 where: short stacking energy: -133.446 Base-Backbone interact. energy: -2.726 local terms energy: -200.201769 where: bonds (distance) C4'-P energy: -50.694 bonds (distance) P-C4' energy: -51.623 flat angles C4'-P-C4' energy: -44.368 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1322.689763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.689763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.689763 (E_RNA) where: Base-Base interactions energy: -942.316 where: short stacking energy: -370.525 Base-Backbone interact. energy: 0.023 local terms energy: -380.396445 where: bonds (distance) C4'-P energy: -78.135 bonds (distance) P-C4' energy: -62.508 flat angles C4'-P-C4' energy: -72.077 flat angles P-C4'-P energy: -53.696 tors. eta vs tors. theta energy: -113.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1270.040364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.040364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.040364 (E_RNA) where: Base-Base interactions energy: -921.773 where: short stacking energy: -363.521 Base-Backbone interact. energy: -1.738 local terms energy: -346.529091 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -69.901 flat angles C4'-P-C4' energy: -78.420 flat angles P-C4'-P energy: -50.038 tors. eta vs tors. theta energy: -84.733 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: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1163.498479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.498479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.498479 (E_RNA) where: Base-Base interactions energy: -823.944 where: short stacking energy: -348.441 Base-Backbone interact. energy: 0.405 local terms energy: -339.958989 where: bonds (distance) C4'-P energy: -72.649 bonds (distance) P-C4' energy: -68.475 flat angles C4'-P-C4' energy: -78.141 flat angles P-C4'-P energy: -46.082 tors. eta vs tors. theta energy: -74.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1219.197877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.197877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.197877 (E_RNA) where: Base-Base interactions energy: -861.811 where: short stacking energy: -387.163 Base-Backbone interact. energy: 0.219 local terms energy: -357.605608 where: bonds (distance) C4'-P energy: -52.279 bonds (distance) P-C4' energy: -68.559 flat angles C4'-P-C4' energy: -73.642 flat angles P-C4'-P energy: -53.888 tors. eta vs tors. theta energy: -109.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1102.378270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.378270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.378270 (E_RNA) where: Base-Base interactions energy: -770.799 where: short stacking energy: -314.960 Base-Backbone interact. energy: -0.991 local terms energy: -330.588752 where: bonds (distance) C4'-P energy: -48.206 bonds (distance) P-C4' energy: -73.960 flat angles C4'-P-C4' energy: -72.090 flat angles P-C4'-P energy: -53.670 tors. eta vs tors. theta energy: -82.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1054.052627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.052627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.052627 (E_RNA) where: Base-Base interactions energy: -750.282 where: short stacking energy: -328.498 Base-Backbone interact. energy: 0.053 local terms energy: -303.822978 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -66.054 flat angles P-C4'-P energy: -30.986 tors. eta vs tors. theta energy: -79.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -834.621289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.621289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.621289 (E_RNA) where: Base-Base interactions energy: -563.676 where: short stacking energy: -257.252 Base-Backbone interact. energy: 4.358 local terms energy: -275.303486 where: bonds (distance) C4'-P energy: -47.730 bonds (distance) P-C4' energy: -56.918 flat angles C4'-P-C4' energy: -65.866 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -57.354 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: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -795.844903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.844903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.844903 (E_RNA) where: Base-Base interactions energy: -526.729 where: short stacking energy: -231.359 Base-Backbone interact. energy: -0.722 local terms energy: -268.393867 where: bonds (distance) C4'-P energy: -53.793 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -63.579 flat angles P-C4'-P energy: -36.718 tors. eta vs tors. theta energy: -50.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -663.339460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.339460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.339460 (E_RNA) where: Base-Base interactions energy: -405.903 where: short stacking energy: -186.126 Base-Backbone interact. energy: -0.552 local terms energy: -256.884604 where: bonds (distance) C4'-P energy: -58.777 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -56.125 flat angles P-C4'-P energy: -40.633 tors. eta vs tors. theta energy: -30.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -412.874396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.874396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.874396 (E_RNA) where: Base-Base interactions energy: -205.867 where: short stacking energy: -132.754 Base-Backbone interact. energy: 1.903 local terms energy: -208.909858 where: bonds (distance) C4'-P energy: -50.477 bonds (distance) P-C4' energy: -64.895 flat angles C4'-P-C4' energy: -55.138 flat angles P-C4'-P energy: -31.579 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1341.445055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.445055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.445055 (E_RNA) where: Base-Base interactions energy: -961.404 where: short stacking energy: -384.109 Base-Backbone interact. energy: -0.837 local terms energy: -379.204410 where: bonds (distance) C4'-P energy: -75.562 bonds (distance) P-C4' energy: -59.545 flat angles C4'-P-C4' energy: -74.893 flat angles P-C4'-P energy: -56.493 tors. eta vs tors. theta energy: -112.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1275.800250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.800250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.800250 (E_RNA) where: Base-Base interactions energy: -905.651 where: short stacking energy: -364.728 Base-Backbone interact. energy: -1.347 local terms energy: -368.802232 where: bonds (distance) C4'-P energy: -76.432 bonds (distance) P-C4' energy: -70.538 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -61.318 tors. eta vs tors. theta energy: -88.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1231.926206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.926206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.926206 (E_RNA) where: Base-Base interactions energy: -868.712 where: short stacking energy: -355.253 Base-Backbone interact. energy: -0.387 local terms energy: -362.827670 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -77.354 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -54.173 tors. eta vs tors. theta energy: -100.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1136.043761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.043761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.043761 (E_RNA) where: Base-Base interactions energy: -800.813 where: short stacking energy: -340.739 Base-Backbone interact. energy: 0.674 local terms energy: -335.904067 where: bonds (distance) C4'-P energy: -70.984 bonds (distance) P-C4' energy: -70.126 flat angles C4'-P-C4' energy: -69.456 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -80.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1098.493729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.493729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.493729 (E_RNA) where: Base-Base interactions energy: -785.881 where: short stacking energy: -311.744 Base-Backbone interact. energy: -0.253 local terms energy: -312.359455 where: bonds (distance) C4'-P energy: -63.209 bonds (distance) P-C4' energy: -50.718 flat angles C4'-P-C4' energy: -74.662 flat angles P-C4'-P energy: -47.838 tors. eta vs tors. theta energy: -75.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1036.148198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.148198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.148198 (E_RNA) where: Base-Base interactions energy: -721.725 where: short stacking energy: -336.522 Base-Backbone interact. energy: -1.916 local terms energy: -312.507694 where: bonds (distance) C4'-P energy: -58.369 bonds (distance) P-C4' energy: -39.892 flat angles C4'-P-C4' energy: -73.916 flat angles P-C4'-P energy: -48.392 tors. eta vs tors. theta energy: -91.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -834.835344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.835344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.835344 (E_RNA) where: Base-Base interactions energy: -547.083 where: short stacking energy: -220.051 Base-Backbone interact. energy: -2.276 local terms energy: -285.476357 where: bonds (distance) C4'-P energy: -68.629 bonds (distance) P-C4' energy: -60.337 flat angles C4'-P-C4' energy: -67.673 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -46.538 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: 8, replica: 3 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -824.967571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.967571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.967571 (E_RNA) where: Base-Base interactions energy: -549.065 where: short stacking energy: -229.005 Base-Backbone interact. energy: -0.840 local terms energy: -275.062919 where: bonds (distance) C4'-P energy: -63.467 bonds (distance) P-C4' energy: -55.179 flat angles C4'-P-C4' energy: -57.547 flat angles P-C4'-P energy: -37.026 tors. eta vs tors. theta energy: -61.845 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: 1 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -627.772450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.772450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.772450 (E_RNA) where: Base-Base interactions energy: -383.398 where: short stacking energy: -200.670 Base-Backbone interact. energy: 0.578 local terms energy: -244.952480 where: bonds (distance) C4'-P energy: -64.263 bonds (distance) P-C4' energy: -48.030 flat angles C4'-P-C4' energy: -71.080 flat angles P-C4'-P energy: -33.875 tors. eta vs tors. theta energy: -27.704 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: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -452.137602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.137602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.137602 (E_RNA) where: Base-Base interactions energy: -246.704 where: short stacking energy: -143.004 Base-Backbone interact. energy: 1.999 local terms energy: -207.432789 where: bonds (distance) C4'-P energy: -50.470 bonds (distance) P-C4' energy: -63.877 flat angles C4'-P-C4' energy: -45.579 flat angles P-C4'-P energy: -32.713 tors. eta vs tors. theta energy: -14.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1347.697660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.697660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.697660 (E_RNA) where: Base-Base interactions energy: -942.919 where: short stacking energy: -384.496 Base-Backbone interact. energy: -1.522 local terms energy: -403.256949 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -76.942 flat angles C4'-P-C4' energy: -84.253 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -112.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1264.554031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.554031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.554031 (E_RNA) where: Base-Base interactions energy: -914.019 where: short stacking energy: -363.381 Base-Backbone interact. energy: 0.724 local terms energy: -351.258817 where: bonds (distance) C4'-P energy: -66.965 bonds (distance) P-C4' energy: -60.181 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -45.585 tors. eta vs tors. theta energy: -95.638 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: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1206.113829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.113829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.113829 (E_RNA) where: Base-Base interactions energy: -834.980 where: short stacking energy: -358.462 Base-Backbone interact. energy: -1.636 local terms energy: -369.497705 where: bonds (distance) C4'-P energy: -65.726 bonds (distance) P-C4' energy: -75.173 flat angles C4'-P-C4' energy: -69.774 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -104.427 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: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1123.853512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.853512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.853512 (E_RNA) where: Base-Base interactions energy: -788.439 where: short stacking energy: -326.874 Base-Backbone interact. energy: -1.141 local terms energy: -334.273138 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -41.060 tors. eta vs tors. theta energy: -85.775 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: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1065.882115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.882115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.882115 (E_RNA) where: Base-Base interactions energy: -773.012 where: short stacking energy: -307.148 Base-Backbone interact. energy: 2.946 local terms energy: -295.815904 where: bonds (distance) C4'-P energy: -56.292 bonds (distance) P-C4' energy: -62.711 flat angles C4'-P-C4' energy: -66.319 flat angles P-C4'-P energy: -39.388 tors. eta vs tors. theta energy: -71.106 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: 8 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1055.106997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.106997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.106997 (E_RNA) where: Base-Base interactions energy: -733.039 where: short stacking energy: -326.287 Base-Backbone interact. energy: -0.588 local terms energy: -321.479571 where: bonds (distance) C4'-P energy: -52.814 bonds (distance) P-C4' energy: -63.851 flat angles C4'-P-C4' energy: -78.802 flat angles P-C4'-P energy: -36.061 tors. eta vs tors. theta energy: -89.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -835.126059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.126059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.126059 (E_RNA) where: Base-Base interactions energy: -530.207 where: short stacking energy: -222.821 Base-Backbone interact. energy: -0.503 local terms energy: -304.416636 where: bonds (distance) C4'-P energy: -63.762 bonds (distance) P-C4' energy: -74.114 flat angles C4'-P-C4' energy: -76.638 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -42.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -765.807974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.807974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.807974 (E_RNA) where: Base-Base interactions energy: -476.052 where: short stacking energy: -208.807 Base-Backbone interact. energy: -0.552 local terms energy: -289.204728 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -63.785 flat angles C4'-P-C4' energy: -64.506 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: -54.939 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: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -603.718750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.718750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.718750 (E_RNA) where: Base-Base interactions energy: -373.680 where: short stacking energy: -180.720 Base-Backbone interact. energy: -0.592 local terms energy: -229.447213 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -48.250 flat angles C4'-P-C4' energy: -68.414 flat angles P-C4'-P energy: -34.760 tors. eta vs tors. theta energy: -20.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -405.176954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.176954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.176954 (E_RNA) where: Base-Base interactions energy: -205.201 where: short stacking energy: -125.306 Base-Backbone interact. energy: 2.188 local terms energy: -202.164555 where: bonds (distance) C4'-P energy: -53.097 bonds (distance) P-C4' energy: -64.978 flat angles C4'-P-C4' energy: -40.650 flat angles P-C4'-P energy: -34.515 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1339.697653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.697653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.697653 (E_RNA) where: Base-Base interactions energy: -960.956 where: short stacking energy: -399.061 Base-Backbone interact. energy: -1.186 local terms energy: -377.555987 where: bonds (distance) C4'-P energy: -69.703 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -78.059 flat angles P-C4'-P energy: -53.462 tors. eta vs tors. theta energy: -110.900 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1250.854084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.854084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.854084 (E_RNA) where: Base-Base interactions energy: -887.082 where: short stacking energy: -359.021 Base-Backbone interact. energy: -0.632 local terms energy: -363.140190 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -67.591 flat angles C4'-P-C4' energy: -89.374 flat angles P-C4'-P energy: -52.566 tors. eta vs tors. theta energy: -88.576 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: 3, replica: 9 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1217.081863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.081863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.081863 (E_RNA) where: Base-Base interactions energy: -845.329 where: short stacking energy: -351.043 Base-Backbone interact. energy: -1.005 local terms energy: -370.748286 where: bonds (distance) C4'-P energy: -61.404 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -79.199 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -100.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1110.765850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.765850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.765850 (E_RNA) where: Base-Base interactions energy: -785.218 where: short stacking energy: -314.733 Base-Backbone interact. energy: 0.688 local terms energy: -326.235427 where: bonds (distance) C4'-P energy: -64.709 bonds (distance) P-C4' energy: -67.876 flat angles C4'-P-C4' energy: -77.094 flat angles P-C4'-P energy: -42.911 tors. eta vs tors. theta energy: -73.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1120.084725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.084725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.084725 (E_RNA) where: Base-Base interactions energy: -797.339 where: short stacking energy: -326.140 Base-Backbone interact. energy: 0.763 local terms energy: -323.508830 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -67.063 flat angles C4'-P-C4' energy: -72.987 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -81.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1039.548081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.548081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.548081 (E_RNA) where: Base-Base interactions energy: -727.374 where: short stacking energy: -317.205 Base-Backbone interact. energy: 2.954 local terms energy: -315.127453 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -52.567 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -44.317 tors. eta vs tors. theta energy: -91.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -799.331390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.331390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.331390 (E_RNA) where: Base-Base interactions energy: -518.784 where: short stacking energy: -248.897 Base-Backbone interact. energy: 3.236 local terms energy: -283.783618 where: bonds (distance) C4'-P energy: -57.072 bonds (distance) P-C4' energy: -65.281 flat angles C4'-P-C4' energy: -60.335 flat angles P-C4'-P energy: -38.628 tors. eta vs tors. theta energy: -62.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -798.726766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.726766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.726766 (E_RNA) where: Base-Base interactions energy: -537.953 where: short stacking energy: -229.635 Base-Backbone interact. energy: 0.455 local terms energy: -261.229185 where: bonds (distance) C4'-P energy: -47.579 bonds (distance) P-C4' energy: -62.185 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -38.093 tors. eta vs tors. theta energy: -49.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -605.112731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.112731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.112731 (E_RNA) where: Base-Base interactions energy: -359.946 where: short stacking energy: -180.363 Base-Backbone interact. energy: -1.442 local terms energy: -243.723978 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -58.692 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -29.212 tors. eta vs tors. theta energy: -30.744 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: 308 Temperature: 1.350000 Total energy: -390.954913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.954913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.954913 (E_RNA) where: Base-Base interactions energy: -195.033 where: short stacking energy: -112.055 Base-Backbone interact. energy: -0.304 local terms energy: -195.617818 where: bonds (distance) C4'-P energy: -67.804 bonds (distance) P-C4' energy: -58.054 flat angles C4'-P-C4' energy: -50.833 flat angles P-C4'-P energy: -30.106 tors. eta vs tors. theta energy: 11.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1353.201865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.201865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.201865 (E_RNA) where: Base-Base interactions energy: -970.349 where: short stacking energy: -397.610 Base-Backbone interact. energy: -1.230 local terms energy: -381.623788 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -76.336 flat angles P-C4'-P energy: -52.247 tors. eta vs tors. theta energy: -113.706 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: 7 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1263.047656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.047656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.047656 (E_RNA) where: Base-Base interactions energy: -903.147 where: short stacking energy: -367.606 Base-Backbone interact. energy: -1.426 local terms energy: -358.474639 where: bonds (distance) C4'-P energy: -70.478 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -75.230 flat angles P-C4'-P energy: -48.602 tors. eta vs tors. theta energy: -91.294 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: 309 Temperature: 1.000000 Total energy: -1214.442609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.442609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.442609 (E_RNA) where: Base-Base interactions energy: -854.955 where: short stacking energy: -372.938 Base-Backbone interact. energy: 1.171 local terms energy: -360.658019 where: bonds (distance) C4'-P energy: -72.627 bonds (distance) P-C4' energy: -55.774 flat angles C4'-P-C4' energy: -76.874 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -99.363 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: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1099.088168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.088168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.088168 (E_RNA) where: Base-Base interactions energy: -766.118 where: short stacking energy: -292.244 Base-Backbone interact. energy: 0.003 local terms energy: -332.973469 where: bonds (distance) C4'-P energy: -63.917 bonds (distance) P-C4' energy: -62.275 flat angles C4'-P-C4' energy: -74.941 flat angles P-C4'-P energy: -47.122 tors. eta vs tors. theta energy: -84.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1120.391435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.391435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.391435 (E_RNA) where: Base-Base interactions energy: -803.072 where: short stacking energy: -321.589 Base-Backbone interact. energy: -2.814 local terms energy: -314.505230 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -71.428 flat angles C4'-P-C4' energy: -65.930 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -74.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1079.631310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.631310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.631310 (E_RNA) where: Base-Base interactions energy: -742.472 where: short stacking energy: -301.824 Base-Backbone interact. energy: -0.248 local terms energy: -336.911080 where: bonds (distance) C4'-P energy: -60.754 bonds (distance) P-C4' energy: -65.869 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -44.012 tors. eta vs tors. theta energy: -93.441 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: 309 Temperature: 1.200000 Total energy: -786.719125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.719125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.719125 (E_RNA) where: Base-Base interactions energy: -512.116 where: short stacking energy: -261.180 Base-Backbone interact. energy: -2.423 local terms energy: -272.180219 where: bonds (distance) C4'-P energy: -63.207 bonds (distance) P-C4' energy: -59.541 flat angles C4'-P-C4' energy: -62.128 flat angles P-C4'-P energy: -27.448 tors. eta vs tors. theta energy: -59.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -775.792434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.792434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.792434 (E_RNA) where: Base-Base interactions energy: -505.182 where: short stacking energy: -218.353 Base-Backbone interact. energy: 4.611 local terms energy: -275.221702 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -66.467 flat angles C4'-P-C4' energy: -64.100 flat angles P-C4'-P energy: -37.579 tors. eta vs tors. theta energy: -47.559 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: 1 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -612.518955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.518955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.518955 (E_RNA) where: Base-Base interactions energy: -367.824 where: short stacking energy: -176.098 Base-Backbone interact. energy: -0.034 local terms energy: -244.660915 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -59.049 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -37.626 tors. eta vs tors. theta energy: -23.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -417.253090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.253090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.253090 (E_RNA) where: Base-Base interactions energy: -224.672 where: short stacking energy: -142.115 Base-Backbone interact. energy: -2.366 local terms energy: -190.214470 where: bonds (distance) C4'-P energy: -43.192 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -42.051 flat angles P-C4'-P energy: -31.267 tors. eta vs tors. theta energy: -15.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1332.748177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.748177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.748177 (E_RNA) where: Base-Base interactions energy: -953.973 where: short stacking energy: -395.746 Base-Backbone interact. energy: -1.214 local terms energy: -377.561396 where: bonds (distance) C4'-P energy: -71.502 bonds (distance) P-C4' energy: -65.776 flat angles C4'-P-C4' energy: -80.107 flat angles P-C4'-P energy: -52.790 tors. eta vs tors. theta energy: -107.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1258.165200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.165200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.165200 (E_RNA) where: Base-Base interactions energy: -882.072 where: short stacking energy: -359.273 Base-Backbone interact. energy: -2.019 local terms energy: -374.074105 where: bonds (distance) C4'-P energy: -59.323 bonds (distance) P-C4' energy: -81.945 flat angles C4'-P-C4' energy: -80.307 flat angles P-C4'-P energy: -59.844 tors. eta vs tors. theta energy: -92.656 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: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1213.286376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.286376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.286376 (E_RNA) where: Base-Base interactions energy: -836.861 where: short stacking energy: -358.283 Base-Backbone interact. energy: -1.282 local terms energy: -375.143573 where: bonds (distance) C4'-P energy: -74.716 bonds (distance) P-C4' energy: -69.745 flat angles C4'-P-C4' energy: -84.905 flat angles P-C4'-P energy: -47.499 tors. eta vs tors. theta energy: -98.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1138.788333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.788333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.788333 (E_RNA) where: Base-Base interactions energy: -810.518 where: short stacking energy: -336.005 Base-Backbone interact. energy: -2.617 local terms energy: -325.652898 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -57.288 flat angles C4'-P-C4' energy: -69.170 flat angles P-C4'-P energy: -57.651 tors. eta vs tors. theta energy: -81.555 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: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1123.105257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.105257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.105257 (E_RNA) where: Base-Base interactions energy: -793.640 where: short stacking energy: -324.117 Base-Backbone interact. energy: 2.426 local terms energy: -331.891112 where: bonds (distance) C4'-P energy: -56.844 bonds (distance) P-C4' energy: -61.877 flat angles C4'-P-C4' energy: -70.535 flat angles P-C4'-P energy: -49.300 tors. eta vs tors. theta energy: -93.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1087.524391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.524391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.524391 (E_RNA) where: Base-Base interactions energy: -773.088 where: short stacking energy: -316.033 Base-Backbone interact. energy: -0.059 local terms energy: -314.377686 where: bonds (distance) C4'-P energy: -60.468 bonds (distance) P-C4' energy: -61.674 flat angles C4'-P-C4' energy: -69.533 flat angles P-C4'-P energy: -37.135 tors. eta vs tors. theta energy: -85.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -782.768835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.768835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.768835 (E_RNA) where: Base-Base interactions energy: -519.279 where: short stacking energy: -224.491 Base-Backbone interact. energy: -1.026 local terms energy: -262.464108 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -60.557 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -30.142 tors. eta vs tors. theta energy: -48.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -830.010373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.010373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.010373 (E_RNA) where: Base-Base interactions energy: -559.252 where: short stacking energy: -243.140 Base-Backbone interact. energy: 0.600 local terms energy: -271.358690 where: bonds (distance) C4'-P energy: -49.970 bonds (distance) P-C4' energy: -67.232 flat angles C4'-P-C4' energy: -59.187 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -51.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -656.827598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.827598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.827598 (E_RNA) where: Base-Base interactions energy: -432.241 where: short stacking energy: -199.646 Base-Backbone interact. energy: -0.501 local terms energy: -224.085783 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -49.718 flat angles C4'-P-C4' energy: -53.696 flat angles P-C4'-P energy: -30.291 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: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -397.418206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.418206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.418206 (E_RNA) where: Base-Base interactions energy: -197.155 where: short stacking energy: -116.213 Base-Backbone interact. energy: 0.160 local terms energy: -200.423113 where: bonds (distance) C4'-P energy: -65.528 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -49.114 flat angles P-C4'-P energy: -27.976 tors. eta vs tors. theta energy: 6.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1357.157110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.157110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.157110 (E_RNA) where: Base-Base interactions energy: -970.377 where: short stacking energy: -405.102 Base-Backbone interact. energy: -1.430 local terms energy: -385.350342 where: bonds (distance) C4'-P energy: -73.021 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -80.469 flat angles P-C4'-P energy: -55.653 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: 2, replica: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1263.655788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.655788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.655788 (E_RNA) where: Base-Base interactions energy: -911.010 where: short stacking energy: -367.129 Base-Backbone interact. energy: -0.866 local terms energy: -351.778948 where: bonds (distance) C4'-P energy: -60.524 bonds (distance) P-C4' energy: -74.110 flat angles C4'-P-C4' energy: -69.640 flat angles P-C4'-P energy: -53.964 tors. eta vs tors. theta energy: -93.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1271.902825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.902825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.902825 (E_RNA) where: Base-Base interactions energy: -885.044 where: short stacking energy: -385.813 Base-Backbone interact. energy: -0.083 local terms energy: -386.775492 where: bonds (distance) C4'-P energy: -64.048 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -53.957 tors. eta vs tors. theta energy: -117.173 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: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1134.338806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.338806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.338806 (E_RNA) where: Base-Base interactions energy: -805.139 where: short stacking energy: -331.383 Base-Backbone interact. energy: -0.254 local terms energy: -328.946033 where: bonds (distance) C4'-P energy: -68.831 bonds (distance) P-C4' energy: -57.522 flat angles C4'-P-C4' energy: -71.767 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -80.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1127.781558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.781558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.781558 (E_RNA) where: Base-Base interactions energy: -780.930 where: short stacking energy: -338.860 Base-Backbone interact. energy: 3.975 local terms energy: -350.826282 where: bonds (distance) C4'-P energy: -59.615 bonds (distance) P-C4' energy: -72.613 flat angles C4'-P-C4' energy: -78.595 flat angles P-C4'-P energy: -47.851 tors. eta vs tors. theta energy: -92.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1057.321035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.321035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.321035 (E_RNA) where: Base-Base interactions energy: -755.400 where: short stacking energy: -301.731 Base-Backbone interact. energy: -1.728 local terms energy: -300.193161 where: bonds (distance) C4'-P energy: -58.562 bonds (distance) P-C4' energy: -62.155 flat angles C4'-P-C4' energy: -79.953 flat angles P-C4'-P energy: -31.481 tors. eta vs tors. theta energy: -68.042 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -804.428589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.428589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.428589 (E_RNA) where: Base-Base interactions energy: -549.547 where: short stacking energy: -246.920 Base-Backbone interact. energy: 1.944 local terms energy: -256.826098 where: bonds (distance) C4'-P energy: -45.359 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -63.684 flat angles P-C4'-P energy: -33.411 tors. eta vs tors. theta energy: -52.988 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: 3 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -830.498714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.498714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.498714 (E_RNA) where: Base-Base interactions energy: -577.494 where: short stacking energy: -246.954 Base-Backbone interact. energy: 1.308 local terms energy: -254.313543 where: bonds (distance) C4'-P energy: -51.124 bonds (distance) P-C4' energy: -52.886 flat angles C4'-P-C4' energy: -66.983 flat angles P-C4'-P energy: -32.813 tors. eta vs tors. theta energy: -50.507 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: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -660.653895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.653895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.653895 (E_RNA) where: Base-Base interactions energy: -405.740 where: short stacking energy: -195.116 Base-Backbone interact. energy: 0.969 local terms energy: -255.882770 where: bonds (distance) C4'-P energy: -52.783 bonds (distance) P-C4' energy: -58.722 flat angles C4'-P-C4' energy: -66.593 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -35.815 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: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -423.568736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.568736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.568736 (E_RNA) where: Base-Base interactions energy: -208.182 where: short stacking energy: -130.714 Base-Backbone interact. energy: -0.971 local terms energy: -214.415905 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -56.392 flat angles C4'-P-C4' energy: -56.845 flat angles P-C4'-P energy: -34.134 tors. eta vs tors. theta energy: -9.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1341.781482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.781482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.781482 (E_RNA) where: Base-Base interactions energy: -947.535 where: short stacking energy: -395.562 Base-Backbone interact. energy: -2.338 local terms energy: -391.908773 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -64.998 flat angles C4'-P-C4' energy: -78.022 flat angles P-C4'-P energy: -55.672 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: 2, replica: 7 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1276.729584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.729584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.729584 (E_RNA) where: Base-Base interactions energy: -923.076 where: short stacking energy: -378.093 Base-Backbone interact. energy: 0.575 local terms energy: -354.229206 where: bonds (distance) C4'-P energy: -66.993 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -75.983 flat angles P-C4'-P energy: -50.289 tors. eta vs tors. theta energy: -98.983 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: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1152.412836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.412836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.412836 (E_RNA) where: Base-Base interactions energy: -802.725 where: short stacking energy: -311.866 Base-Backbone interact. energy: -0.007 local terms energy: -349.681008 where: bonds (distance) C4'-P energy: -76.437 bonds (distance) P-C4' energy: -66.463 flat angles C4'-P-C4' energy: -76.774 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -77.244 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: 4, replica: 9 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1227.360930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.360930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.360930 (E_RNA) where: Base-Base interactions energy: -874.271 where: short stacking energy: -367.824 Base-Backbone interact. energy: -0.633 local terms energy: -352.456619 where: bonds (distance) C4'-P energy: -53.672 bonds (distance) P-C4' energy: -68.473 flat angles C4'-P-C4' energy: -75.888 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -103.693 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: 5, replica: 8 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1107.661010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.661010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.661010 (E_RNA) where: Base-Base interactions energy: -759.517 where: short stacking energy: -329.589 Base-Backbone interact. energy: 2.970 local terms energy: -351.113980 where: bonds (distance) C4'-P energy: -55.441 bonds (distance) P-C4' energy: -61.481 flat angles C4'-P-C4' energy: -77.640 flat angles P-C4'-P energy: -59.370 tors. eta vs tors. theta energy: -97.182 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1065.466826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.466826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.466826 (E_RNA) where: Base-Base interactions energy: -757.391 where: short stacking energy: -314.859 Base-Backbone interact. energy: -1.477 local terms energy: -306.598574 where: bonds (distance) C4'-P energy: -68.031 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -53.679 flat angles P-C4'-P energy: -43.435 tors. eta vs tors. theta energy: -76.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -841.565913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.565913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.565913 (E_RNA) where: Base-Base interactions energy: -555.694 where: short stacking energy: -272.133 Base-Backbone interact. energy: 2.850 local terms energy: -288.722214 where: bonds (distance) C4'-P energy: -56.422 bonds (distance) P-C4' energy: -61.939 flat angles C4'-P-C4' energy: -55.460 flat angles P-C4'-P energy: -48.193 tors. eta vs tors. theta energy: -66.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -792.229690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.229690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.229690 (E_RNA) where: Base-Base interactions energy: -527.373 where: short stacking energy: -239.301 Base-Backbone interact. energy: -0.759 local terms energy: -264.097827 where: bonds (distance) C4'-P energy: -48.523 bonds (distance) P-C4' energy: -67.335 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -34.642 tors. eta vs tors. theta energy: -55.451 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: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -627.122534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.122534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.122534 (E_RNA) where: Base-Base interactions energy: -388.717 where: short stacking energy: -179.909 Base-Backbone interact. energy: -0.093 local terms energy: -238.312360 where: bonds (distance) C4'-P energy: -57.410 bonds (distance) P-C4' energy: -44.848 flat angles C4'-P-C4' energy: -57.383 flat angles P-C4'-P energy: -36.673 tors. eta vs tors. theta energy: -41.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -411.616910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.616910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.616910 (E_RNA) where: Base-Base interactions energy: -181.687 where: short stacking energy: -102.055 Base-Backbone interact. energy: -0.896 local terms energy: -229.034441 where: bonds (distance) C4'-P energy: -61.282 bonds (distance) P-C4' energy: -73.299 flat angles C4'-P-C4' energy: -52.296 flat angles P-C4'-P energy: -37.601 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1348.286751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.286751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.286751 (E_RNA) where: Base-Base interactions energy: -934.364 where: short stacking energy: -385.875 Base-Backbone interact. energy: -2.535 local terms energy: -411.387329 where: bonds (distance) C4'-P energy: -75.232 bonds (distance) P-C4' energy: -76.120 flat angles C4'-P-C4' energy: -86.284 flat angles P-C4'-P energy: -60.439 tors. eta vs tors. theta energy: -113.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1282.238033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.238033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.238033 (E_RNA) where: Base-Base interactions energy: -928.994 where: short stacking energy: -370.407 Base-Backbone interact. energy: -0.216 local terms energy: -353.028009 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -64.307 flat angles C4'-P-C4' energy: -73.176 flat angles P-C4'-P energy: -55.211 tors. eta vs tors. theta energy: -95.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1169.793317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.793317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.793317 (E_RNA) where: Base-Base interactions energy: -818.214 where: short stacking energy: -319.173 Base-Backbone interact. energy: -1.819 local terms energy: -349.760014 where: bonds (distance) C4'-P energy: -66.796 bonds (distance) P-C4' energy: -69.866 flat angles C4'-P-C4' energy: -76.011 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: -83.268 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: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1201.478699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.478699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.478699 (E_RNA) where: Base-Base interactions energy: -846.784 where: short stacking energy: -355.670 Base-Backbone interact. energy: -1.537 local terms energy: -353.157671 where: bonds (distance) C4'-P energy: -60.015 bonds (distance) P-C4' energy: -63.835 flat angles C4'-P-C4' energy: -83.619 flat angles P-C4'-P energy: -42.382 tors. eta vs tors. theta energy: -103.307 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: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1065.017186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.017186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.017186 (E_RNA) where: Base-Base interactions energy: -724.554 where: short stacking energy: -316.135 Base-Backbone interact. energy: -0.794 local terms energy: -339.669308 where: bonds (distance) C4'-P energy: -64.407 bonds (distance) P-C4' energy: -73.158 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -86.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1096.200751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.200751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.200751 (E_RNA) where: Base-Base interactions energy: -796.966 where: short stacking energy: -332.839 Base-Backbone interact. energy: -0.031 local terms energy: -299.204042 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -68.727 flat angles P-C4'-P energy: -38.360 tors. eta vs tors. theta energy: -81.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -843.513493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.513493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.513493 (E_RNA) where: Base-Base interactions energy: -560.171 where: short stacking energy: -257.263 Base-Backbone interact. energy: -0.987 local terms energy: -282.355447 where: bonds (distance) C4'-P energy: -59.073 bonds (distance) P-C4' energy: -49.821 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -54.268 tors. eta vs tors. theta energy: -53.193 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: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -823.971756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.971756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.971756 (E_RNA) where: Base-Base interactions energy: -531.178 where: short stacking energy: -248.379 Base-Backbone interact. energy: -1.531 local terms energy: -291.262961 where: bonds (distance) C4'-P energy: -63.170 bonds (distance) P-C4' energy: -58.489 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -39.682 tors. eta vs tors. theta energy: -63.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -645.026388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.026388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.026388 (E_RNA) where: Base-Base interactions energy: -409.481 where: short stacking energy: -188.961 Base-Backbone interact. energy: -1.234 local terms energy: -234.311174 where: bonds (distance) C4'-P energy: -45.508 bonds (distance) P-C4' energy: -56.969 flat angles C4'-P-C4' energy: -59.887 flat angles P-C4'-P energy: -40.099 tors. eta vs tors. theta energy: -31.848 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: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -415.593685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.593685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.593685 (E_RNA) where: Base-Base interactions energy: -221.196 where: short stacking energy: -132.700 Base-Backbone interact. energy: -1.675 local terms energy: -192.722137 where: bonds (distance) C4'-P energy: -45.790 bonds (distance) P-C4' energy: -54.967 flat angles C4'-P-C4' energy: -58.718 flat angles P-C4'-P energy: -27.019 tors. eta vs tors. theta energy: -6.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1351.762017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.762017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.762017 (E_RNA) where: Base-Base interactions energy: -942.626 where: short stacking energy: -390.997 Base-Backbone interact. energy: -1.506 local terms energy: -407.630318 where: bonds (distance) C4'-P energy: -81.432 bonds (distance) P-C4' energy: -70.936 flat angles C4'-P-C4' energy: -83.896 flat angles P-C4'-P energy: -57.688 tors. eta vs tors. theta energy: -113.679 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: 7 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1262.142106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.142106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.142106 (E_RNA) where: Base-Base interactions energy: -900.146 where: short stacking energy: -355.490 Base-Backbone interact. energy: 0.328 local terms energy: -362.324025 where: bonds (distance) C4'-P energy: -70.200 bonds (distance) P-C4' energy: -68.208 flat angles C4'-P-C4' energy: -71.936 flat angles P-C4'-P energy: -53.822 tors. eta vs tors. theta energy: -98.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1165.978963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.978963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.978963 (E_RNA) where: Base-Base interactions energy: -836.648 where: short stacking energy: -335.081 Base-Backbone interact. energy: -0.904 local terms energy: -328.426417 where: bonds (distance) C4'-P energy: -62.706 bonds (distance) P-C4' energy: -63.106 flat angles C4'-P-C4' energy: -76.716 flat angles P-C4'-P energy: -40.461 tors. eta vs tors. theta energy: -85.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1218.046880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.046880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.046880 (E_RNA) where: Base-Base interactions energy: -849.786 where: short stacking energy: -360.004 Base-Backbone interact. energy: -1.424 local terms energy: -366.837522 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -67.879 flat angles C4'-P-C4' energy: -82.475 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -108.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1083.807410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.807410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.807410 (E_RNA) where: Base-Base interactions energy: -782.503 where: short stacking energy: -327.023 Base-Backbone interact. energy: -0.945 local terms energy: -300.359863 where: bonds (distance) C4'-P energy: -60.719 bonds (distance) P-C4' energy: -61.622 flat angles C4'-P-C4' energy: -57.013 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -76.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1050.142945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.142945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.142945 (E_RNA) where: Base-Base interactions energy: -722.638 where: short stacking energy: -303.684 Base-Backbone interact. energy: 0.567 local terms energy: -328.071291 where: bonds (distance) C4'-P energy: -62.001 bonds (distance) P-C4' energy: -64.460 flat angles C4'-P-C4' energy: -73.664 flat angles P-C4'-P energy: -48.871 tors. eta vs tors. theta energy: -79.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -863.154163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.154163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.154163 (E_RNA) where: Base-Base interactions energy: -554.916 where: short stacking energy: -255.721 Base-Backbone interact. energy: -1.196 local terms energy: -307.041949 where: bonds (distance) C4'-P energy: -61.473 bonds (distance) P-C4' energy: -64.416 flat angles C4'-P-C4' energy: -65.030 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -67.846 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: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -768.873677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.873677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.873677 (E_RNA) where: Base-Base interactions energy: -494.851 where: short stacking energy: -220.553 Base-Backbone interact. energy: 0.795 local terms energy: -274.817418 where: bonds (distance) C4'-P energy: -53.275 bonds (distance) P-C4' energy: -60.766 flat angles C4'-P-C4' energy: -58.531 flat angles P-C4'-P energy: -40.540 tors. eta vs tors. theta energy: -61.707 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: 314 Temperature: 1.300000 Total energy: -623.001443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.001443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.001443 (E_RNA) where: Base-Base interactions energy: -379.743 where: short stacking energy: -196.269 Base-Backbone interact. energy: -0.369 local terms energy: -242.889694 where: bonds (distance) C4'-P energy: -56.999 bonds (distance) P-C4' energy: -43.047 flat angles C4'-P-C4' energy: -66.067 flat angles P-C4'-P energy: -38.020 tors. eta vs tors. theta energy: -38.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -422.775653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.775653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.775653 (E_RNA) where: Base-Base interactions energy: -223.084 where: short stacking energy: -120.790 Base-Backbone interact. energy: -1.275 local terms energy: -198.417340 where: bonds (distance) C4'-P energy: -71.739 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -32.472 flat angles P-C4'-P energy: -24.925 tors. eta vs tors. theta energy: -11.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1354.200661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.200661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.200661 (E_RNA) where: Base-Base interactions energy: -961.639 where: short stacking energy: -406.734 Base-Backbone interact. energy: -0.550 local terms energy: -392.011403 where: bonds (distance) C4'-P energy: -65.065 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -78.707 flat angles P-C4'-P energy: -59.517 tors. eta vs tors. theta energy: -121.610 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: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1267.220718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.220718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.220718 (E_RNA) where: Base-Base interactions energy: -915.630 where: short stacking energy: -372.976 Base-Backbone interact. energy: -0.218 local terms energy: -351.372910 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -65.884 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -96.612 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: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1177.082703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.082703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.082703 (E_RNA) where: Base-Base interactions energy: -832.975 where: short stacking energy: -335.010 Base-Backbone interact. energy: 1.320 local terms energy: -345.427899 where: bonds (distance) C4'-P energy: -58.481 bonds (distance) P-C4' energy: -63.620 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -91.726 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: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1231.326154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.326154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.326154 (E_RNA) where: Base-Base interactions energy: -863.054 where: short stacking energy: -365.492 Base-Backbone interact. energy: -2.165 local terms energy: -366.106740 where: bonds (distance) C4'-P energy: -66.942 bonds (distance) P-C4' energy: -72.087 flat angles C4'-P-C4' energy: -72.714 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -107.284 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: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1091.673237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.673237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.673237 (E_RNA) where: Base-Base interactions energy: -775.309 where: short stacking energy: -317.475 Base-Backbone interact. energy: 0.598 local terms energy: -316.962504 where: bonds (distance) C4'-P energy: -56.869 bonds (distance) P-C4' energy: -59.820 flat angles C4'-P-C4' energy: -69.733 flat angles P-C4'-P energy: -53.208 tors. eta vs tors. theta energy: -77.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1071.154094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.154094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.154094 (E_RNA) where: Base-Base interactions energy: -757.145 where: short stacking energy: -312.410 Base-Backbone interact. energy: -0.775 local terms energy: -313.233726 where: bonds (distance) C4'-P energy: -48.518 bonds (distance) P-C4' energy: -63.662 flat angles C4'-P-C4' energy: -62.770 flat angles P-C4'-P energy: -54.439 tors. eta vs tors. theta energy: -83.845 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: 315 Temperature: 1.200000 Total energy: -872.976062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.976062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.976062 (E_RNA) where: Base-Base interactions energy: -579.778 where: short stacking energy: -253.506 Base-Backbone interact. energy: 1.155 local terms energy: -294.353558 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -62.535 flat angles C4'-P-C4' energy: -60.392 flat angles P-C4'-P energy: -40.051 tors. eta vs tors. theta energy: -71.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -754.468779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.468779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.468779 (E_RNA) where: Base-Base interactions energy: -500.922 where: short stacking energy: -215.674 Base-Backbone interact. energy: -1.688 local terms energy: -251.859300 where: bonds (distance) C4'-P energy: -54.201 bonds (distance) P-C4' energy: -53.291 flat angles C4'-P-C4' energy: -60.222 flat angles P-C4'-P energy: -38.039 tors. eta vs tors. theta energy: -46.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -589.379861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.379861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.379861 (E_RNA) where: Base-Base interactions energy: -360.686 where: short stacking energy: -181.005 Base-Backbone interact. energy: 0.178 local terms energy: -228.871086 where: bonds (distance) C4'-P energy: -57.607 bonds (distance) P-C4' energy: -51.633 flat angles C4'-P-C4' energy: -64.175 flat angles P-C4'-P energy: -37.027 tors. eta vs tors. theta energy: -18.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -421.355945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.355945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.355945 (E_RNA) where: Base-Base interactions energy: -227.640 where: short stacking energy: -134.102 Base-Backbone interact. energy: 0.754 local terms energy: -194.470122 where: bonds (distance) C4'-P energy: -49.151 bonds (distance) P-C4' energy: -58.322 flat angles C4'-P-C4' energy: -39.900 flat angles P-C4'-P energy: -32.663 tors. eta vs tors. theta energy: -14.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1339.636246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.636246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.636246 (E_RNA) where: Base-Base interactions energy: -960.671 where: short stacking energy: -401.942 Base-Backbone interact. energy: -0.953 local terms energy: -378.012707 where: bonds (distance) C4'-P energy: -63.852 bonds (distance) P-C4' energy: -64.843 flat angles C4'-P-C4' energy: -77.651 flat angles P-C4'-P energy: -62.044 tors. eta vs tors. theta energy: -109.623 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: 7 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1260.044871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.044871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.044871 (E_RNA) where: Base-Base interactions energy: -910.389 where: short stacking energy: -364.801 Base-Backbone interact. energy: -1.363 local terms energy: -348.292635 where: bonds (distance) C4'-P energy: -59.862 bonds (distance) P-C4' energy: -66.395 flat angles C4'-P-C4' energy: -76.059 flat angles P-C4'-P energy: -51.862 tors. eta vs tors. theta energy: -94.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1226.403862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.403862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.403862 (E_RNA) where: Base-Base interactions energy: -866.737 where: short stacking energy: -367.590 Base-Backbone interact. energy: -1.019 local terms energy: -358.648100 where: bonds (distance) C4'-P energy: -59.433 bonds (distance) P-C4' energy: -60.572 flat angles C4'-P-C4' energy: -81.142 flat angles P-C4'-P energy: -49.955 tors. eta vs tors. theta energy: -107.545 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: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1172.547104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.547104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.547104 (E_RNA) where: Base-Base interactions energy: -844.899 where: short stacking energy: -320.936 Base-Backbone interact. energy: -0.136 local terms energy: -327.512074 where: bonds (distance) C4'-P energy: -65.960 bonds (distance) P-C4' energy: -64.014 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -48.747 tors. eta vs tors. theta energy: -76.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1085.434359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.434359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.434359 (E_RNA) where: Base-Base interactions energy: -762.159 where: short stacking energy: -323.056 Base-Backbone interact. energy: 0.735 local terms energy: -324.010430 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -62.225 flat angles C4'-P-C4' energy: -73.478 flat angles P-C4'-P energy: -40.552 tors. eta vs tors. theta energy: -83.690 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: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1090.205430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.205430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.205430 (E_RNA) where: Base-Base interactions energy: -771.540 where: short stacking energy: -323.744 Base-Backbone interact. energy: -1.405 local terms energy: -317.260639 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -58.649 flat angles C4'-P-C4' energy: -67.904 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -78.729 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: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -880.007508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.007508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.007508 (E_RNA) where: Base-Base interactions energy: -560.580 where: short stacking energy: -253.474 Base-Backbone interact. energy: 1.375 local terms energy: -320.802305 where: bonds (distance) C4'-P energy: -69.719 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -73.729 flat angles P-C4'-P energy: -38.098 tors. eta vs tors. theta energy: -77.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -764.528618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.528618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.528618 (E_RNA) where: Base-Base interactions energy: -494.509 where: short stacking energy: -216.192 Base-Backbone interact. energy: 3.517 local terms energy: -273.536965 where: bonds (distance) C4'-P energy: -65.248 bonds (distance) P-C4' energy: -63.849 flat angles C4'-P-C4' energy: -70.974 flat angles P-C4'-P energy: -38.386 tors. eta vs tors. theta energy: -35.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -571.710675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.710675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.710675 (E_RNA) where: Base-Base interactions energy: -343.281 where: short stacking energy: -183.178 Base-Backbone interact. energy: -0.599 local terms energy: -227.830051 where: bonds (distance) C4'-P energy: -56.160 bonds (distance) P-C4' energy: -67.149 flat angles C4'-P-C4' energy: -52.147 flat angles P-C4'-P energy: -21.857 tors. eta vs tors. theta energy: -30.516 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: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -498.973066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.973066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.973066 (E_RNA) where: Base-Base interactions energy: -299.090 where: short stacking energy: -148.779 Base-Backbone interact. energy: 3.649 local terms energy: -203.532292 where: bonds (distance) C4'-P energy: -43.802 bonds (distance) P-C4' energy: -63.510 flat angles C4'-P-C4' energy: -45.578 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -14.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1343.808900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.808900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.808900 (E_RNA) where: Base-Base interactions energy: -961.246 where: short stacking energy: -392.253 Base-Backbone interact. energy: -1.240 local terms energy: -381.323656 where: bonds (distance) C4'-P energy: -58.200 bonds (distance) P-C4' energy: -69.447 flat angles C4'-P-C4' energy: -81.183 flat angles P-C4'-P energy: -58.721 tors. eta vs tors. theta energy: -113.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1264.607466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.607466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.607466 (E_RNA) where: Base-Base interactions energy: -884.610 where: short stacking energy: -375.115 Base-Backbone interact. energy: -1.751 local terms energy: -378.245896 where: bonds (distance) C4'-P energy: -67.291 bonds (distance) P-C4' energy: -62.832 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -108.540 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: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1265.792575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.792575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.792575 (E_RNA) where: Base-Base interactions energy: -901.568 where: short stacking energy: -357.697 Base-Backbone interact. energy: -0.227 local terms energy: -363.997985 where: bonds (distance) C4'-P energy: -63.607 bonds (distance) P-C4' energy: -65.667 flat angles C4'-P-C4' energy: -84.516 flat angles P-C4'-P energy: -52.949 tors. eta vs tors. theta energy: -97.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1169.182157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.182157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.182157 (E_RNA) where: Base-Base interactions energy: -826.988 where: short stacking energy: -323.653 Base-Backbone interact. energy: -1.448 local terms energy: -340.746203 where: bonds (distance) C4'-P energy: -63.373 bonds (distance) P-C4' energy: -66.087 flat angles C4'-P-C4' energy: -80.327 flat angles P-C4'-P energy: -54.535 tors. eta vs tors. theta energy: -76.423 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: 8 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1067.688487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.688487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.688487 (E_RNA) where: Base-Base interactions energy: -746.948 where: short stacking energy: -314.990 Base-Backbone interact. energy: -1.341 local terms energy: -319.399704 where: bonds (distance) C4'-P energy: -60.077 bonds (distance) P-C4' energy: -59.157 flat angles C4'-P-C4' energy: -76.636 flat angles P-C4'-P energy: -50.431 tors. eta vs tors. theta energy: -73.098 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: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1058.194364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.194364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.194364 (E_RNA) where: Base-Base interactions energy: -729.115 where: short stacking energy: -305.671 Base-Backbone interact. energy: -1.304 local terms energy: -327.775602 where: bonds (distance) C4'-P energy: -68.268 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -67.032 flat angles P-C4'-P energy: -45.705 tors. eta vs tors. theta energy: -83.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -893.063248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.063248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.063248 (E_RNA) where: Base-Base interactions energy: -601.722 where: short stacking energy: -285.392 Base-Backbone interact. energy: 2.405 local terms energy: -293.746425 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -61.691 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -35.613 tors. eta vs tors. theta energy: -73.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -771.192679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.192679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.192679 (E_RNA) where: Base-Base interactions energy: -502.223 where: short stacking energy: -237.622 Base-Backbone interact. energy: -1.593 local terms energy: -267.376577 where: bonds (distance) C4'-P energy: -53.249 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -59.992 flat angles P-C4'-P energy: -35.180 tors. eta vs tors. theta energy: -53.437 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: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -626.440864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.440864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.440864 (E_RNA) where: Base-Base interactions energy: -386.276 where: short stacking energy: -177.565 Base-Backbone interact. energy: -1.842 local terms energy: -238.322936 where: bonds (distance) C4'-P energy: -47.873 bonds (distance) P-C4' energy: -65.105 flat angles C4'-P-C4' energy: -58.487 flat angles P-C4'-P energy: -39.237 tors. eta vs tors. theta energy: -27.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -546.941664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.941664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.941664 (E_RNA) where: Base-Base interactions energy: -316.574 where: short stacking energy: -152.545 Base-Backbone interact. energy: -1.244 local terms energy: -229.123542 where: bonds (distance) C4'-P energy: -60.528 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -53.103 flat angles P-C4'-P energy: -22.826 tors. eta vs tors. theta energy: -24.360 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: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1337.948491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.948491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.948491 (E_RNA) where: Base-Base interactions energy: -946.710 where: short stacking energy: -390.206 Base-Backbone interact. energy: -0.186 local terms energy: -391.052454 where: bonds (distance) C4'-P energy: -67.515 bonds (distance) P-C4' energy: -67.233 flat angles C4'-P-C4' energy: -84.428 flat angles P-C4'-P energy: -54.054 tors. eta vs tors. theta energy: -117.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1262.014622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.014622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.014622 (E_RNA) where: Base-Base interactions energy: -880.547 where: short stacking energy: -362.343 Base-Backbone interact. energy: -1.943 local terms energy: -379.524503 where: bonds (distance) C4'-P energy: -61.474 bonds (distance) P-C4' energy: -78.140 flat angles C4'-P-C4' energy: -84.524 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: -102.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1244.006937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.006937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.006937 (E_RNA) where: Base-Base interactions energy: -886.987 where: short stacking energy: -349.668 Base-Backbone interact. energy: -0.845 local terms energy: -356.174894 where: bonds (distance) C4'-P energy: -71.708 bonds (distance) P-C4' energy: -69.326 flat angles C4'-P-C4' energy: -76.882 flat angles P-C4'-P energy: -48.332 tors. eta vs tors. theta energy: -89.927 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: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1132.232528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.232528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.232528 (E_RNA) where: Base-Base interactions energy: -827.655 where: short stacking energy: -335.635 Base-Backbone interact. energy: 12.344 local terms energy: -316.921169 where: bonds (distance) C4'-P energy: -59.596 bonds (distance) P-C4' energy: -70.638 flat angles C4'-P-C4' energy: -77.546 flat angles P-C4'-P energy: -35.549 tors. eta vs tors. theta energy: -73.593 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: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1095.569000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.569000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.569000 (E_RNA) where: Base-Base interactions energy: -763.641 where: short stacking energy: -325.337 Base-Backbone interact. energy: -2.833 local terms energy: -329.095110 where: bonds (distance) C4'-P energy: -59.497 bonds (distance) P-C4' energy: -62.425 flat angles C4'-P-C4' energy: -76.916 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -89.526 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: 6, replica: 8 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1035.124096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.124096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.124096 (E_RNA) where: Base-Base interactions energy: -716.857 where: short stacking energy: -317.503 Base-Backbone interact. energy: -0.344 local terms energy: -317.923211 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -59.272 flat angles C4'-P-C4' energy: -76.000 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: -77.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -907.014552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.014552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.014552 (E_RNA) where: Base-Base interactions energy: -598.243 where: short stacking energy: -290.289 Base-Backbone interact. energy: -0.567 local terms energy: -308.203948 where: bonds (distance) C4'-P energy: -65.912 bonds (distance) P-C4' energy: -56.421 flat angles C4'-P-C4' energy: -67.469 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -74.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -783.553186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.553186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.553186 (E_RNA) where: Base-Base interactions energy: -502.603 where: short stacking energy: -241.797 Base-Backbone interact. energy: -1.046 local terms energy: -279.903439 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -62.049 flat angles C4'-P-C4' energy: -48.911 flat angles P-C4'-P energy: -41.306 tors. eta vs tors. theta energy: -64.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -672.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.284469 (E_RNA) where: Base-Base interactions energy: -421.657 where: short stacking energy: -200.445 Base-Backbone interact. energy: -2.645 local terms energy: -247.983155 where: bonds (distance) C4'-P energy: -42.807 bonds (distance) P-C4' energy: -74.367 flat angles C4'-P-C4' energy: -55.740 flat angles P-C4'-P energy: -36.647 tors. eta vs tors. theta energy: -38.422 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: 318 Temperature: 1.350000 Total energy: -573.972956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.972956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.972956 (E_RNA) where: Base-Base interactions energy: -346.167 where: short stacking energy: -173.331 Base-Backbone interact. energy: -0.699 local terms energy: -227.106853 where: bonds (distance) C4'-P energy: -63.834 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -39.727 flat angles P-C4'-P energy: -24.384 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: 319 Temperature: 0.900000 Total energy: -1351.301853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.301853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.301853 (E_RNA) where: Base-Base interactions energy: -962.468 where: short stacking energy: -405.116 Base-Backbone interact. energy: -2.177 local terms energy: -386.657136 where: bonds (distance) C4'-P energy: -67.466 bonds (distance) P-C4' energy: -66.862 flat angles C4'-P-C4' energy: -76.986 flat angles P-C4'-P energy: -62.394 tors. eta vs tors. theta energy: -112.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1256.883127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.883127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.883127 (E_RNA) where: Base-Base interactions energy: -883.494 where: short stacking energy: -374.134 Base-Backbone interact. energy: -2.229 local terms energy: -371.160220 where: bonds (distance) C4'-P energy: -61.798 bonds (distance) P-C4' energy: -63.808 flat angles C4'-P-C4' energy: -80.710 flat angles P-C4'-P energy: -56.594 tors. eta vs tors. theta energy: -108.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1242.372763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.372763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.372763 (E_RNA) where: Base-Base interactions energy: -881.601 where: short stacking energy: -365.759 Base-Backbone interact. energy: -1.877 local terms energy: -358.895180 where: bonds (distance) C4'-P energy: -68.615 bonds (distance) P-C4' energy: -65.428 flat angles C4'-P-C4' energy: -76.113 flat angles P-C4'-P energy: -54.620 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: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1133.378859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.378859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.378859 (E_RNA) where: Base-Base interactions energy: -814.362 where: short stacking energy: -313.284 Base-Backbone interact. energy: 0.182 local terms energy: -319.198848 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -76.448 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -48.312 tors. eta vs tors. theta energy: -70.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1091.529808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.529808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.529808 (E_RNA) where: Base-Base interactions energy: -769.658 where: short stacking energy: -307.208 Base-Backbone interact. energy: -1.749 local terms energy: -320.122845 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -63.923 flat angles C4'-P-C4' energy: -61.319 flat angles P-C4'-P energy: -49.913 tors. eta vs tors. theta energy: -86.028 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: 8 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1031.911177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.911177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.911177 (E_RNA) where: Base-Base interactions energy: -732.706 where: short stacking energy: -311.227 Base-Backbone interact. energy: 0.021 local terms energy: -299.226495 where: bonds (distance) C4'-P energy: -53.812 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -61.888 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -79.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -849.505983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.505983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.505983 (E_RNA) where: Base-Base interactions energy: -551.838 where: short stacking energy: -250.440 Base-Backbone interact. energy: -0.091 local terms energy: -297.576781 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -62.223 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -46.055 tors. eta vs tors. theta energy: -60.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -765.652304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.652304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.652304 (E_RNA) where: Base-Base interactions energy: -517.632 where: short stacking energy: -244.487 Base-Backbone interact. energy: -0.658 local terms energy: -247.362778 where: bonds (distance) C4'-P energy: -51.148 bonds (distance) P-C4' energy: -47.720 flat angles C4'-P-C4' energy: -62.139 flat angles P-C4'-P energy: -28.573 tors. eta vs tors. theta energy: -57.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -617.298200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.298200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.298200 (E_RNA) where: Base-Base interactions energy: -382.415 where: short stacking energy: -181.817 Base-Backbone interact. energy: 3.668 local terms energy: -238.550563 where: bonds (distance) C4'-P energy: -53.907 bonds (distance) P-C4' energy: -61.775 flat angles C4'-P-C4' energy: -60.599 flat angles P-C4'-P energy: -32.006 tors. eta vs tors. theta energy: -30.263 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: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -513.258212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.258212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.258212 (E_RNA) where: Base-Base interactions energy: -296.713 where: short stacking energy: -138.479 Base-Backbone interact. energy: 4.757 local terms energy: -221.302313 where: bonds (distance) C4'-P energy: -62.013 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -50.490 flat angles P-C4'-P energy: -32.204 tors. eta vs tors. theta energy: -7.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1298.875000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.875000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.875000 (E_RNA) where: Base-Base interactions energy: -905.017 where: short stacking energy: -383.270 Base-Backbone interact. energy: -1.030 local terms energy: -392.828007 where: bonds (distance) C4'-P energy: -55.383 bonds (distance) P-C4' energy: -80.450 flat angles C4'-P-C4' energy: -86.984 flat angles P-C4'-P energy: -61.330 tors. eta vs tors. theta energy: -108.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1320.231988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.231988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.231988 (E_RNA) where: Base-Base interactions energy: -941.918 where: short stacking energy: -377.088 Base-Backbone interact. energy: 0.393 local terms energy: -378.706321 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -70.807 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -63.167 tors. eta vs tors. theta energy: -112.276 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: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1236.330117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.330117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.330117 (E_RNA) where: Base-Base interactions energy: -884.970 where: short stacking energy: -345.614 Base-Backbone interact. energy: -0.438 local terms energy: -350.921841 where: bonds (distance) C4'-P energy: -62.642 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -73.797 flat angles P-C4'-P energy: -53.210 tors. eta vs tors. theta energy: -89.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1137.792681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.792681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.792681 (E_RNA) where: Base-Base interactions energy: -799.051 where: short stacking energy: -312.990 Base-Backbone interact. energy: -0.349 local terms energy: -338.392228 where: bonds (distance) C4'-P energy: -60.791 bonds (distance) P-C4' energy: -74.994 flat angles C4'-P-C4' energy: -78.482 flat angles P-C4'-P energy: -47.786 tors. eta vs tors. theta energy: -76.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1040.360623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.360623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.360623 (E_RNA) where: Base-Base interactions energy: -739.360 where: short stacking energy: -311.280 Base-Backbone interact. energy: -1.718 local terms energy: -299.282954 where: bonds (distance) C4'-P energy: -51.093 bonds (distance) P-C4' energy: -56.028 flat angles C4'-P-C4' energy: -64.237 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -80.768 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: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1052.420562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.420562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.420562 (E_RNA) where: Base-Base interactions energy: -750.831 where: short stacking energy: -313.581 Base-Backbone interact. energy: 0.332 local terms energy: -301.921375 where: bonds (distance) C4'-P energy: -64.478 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -64.013 flat angles P-C4'-P energy: -35.053 tors. eta vs tors. theta energy: -76.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -930.691618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.691618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.691618 (E_RNA) where: Base-Base interactions energy: -611.889 where: short stacking energy: -297.874 Base-Backbone interact. energy: 0.729 local terms energy: -319.531000 where: bonds (distance) C4'-P energy: -60.355 bonds (distance) P-C4' energy: -63.574 flat angles C4'-P-C4' energy: -69.963 flat angles P-C4'-P energy: -44.707 tors. eta vs tors. theta energy: -80.932 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: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -747.614772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.614772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.614772 (E_RNA) where: Base-Base interactions energy: -481.733 where: short stacking energy: -213.803 Base-Backbone interact. energy: -1.362 local terms energy: -264.519339 where: bonds (distance) C4'-P energy: -60.830 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -61.425 flat angles P-C4'-P energy: -33.892 tors. eta vs tors. theta energy: -41.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -561.797105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.797105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.797105 (E_RNA) where: Base-Base interactions energy: -346.323 where: short stacking energy: -173.876 Base-Backbone interact. energy: 0.770 local terms energy: -216.244167 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -53.938 flat angles C4'-P-C4' energy: -49.720 flat angles P-C4'-P energy: -40.630 tors. eta vs tors. theta energy: -19.698 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: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -509.082350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.082350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.082350 (E_RNA) where: Base-Base interactions energy: -284.952 where: short stacking energy: -143.094 Base-Backbone interact. energy: -0.998 local terms energy: -223.132159 where: bonds (distance) C4'-P energy: -65.275 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -47.226 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -14.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1307.823252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.823252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.823252 (E_RNA) where: Base-Base interactions energy: -916.761 where: short stacking energy: -398.173 Base-Backbone interact. energy: -2.113 local terms energy: -388.949708 where: bonds (distance) C4'-P energy: -70.237 bonds (distance) P-C4' energy: -68.810 flat angles C4'-P-C4' energy: -86.414 flat angles P-C4'-P energy: -55.467 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: 2, replica: 4 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1317.112065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.112065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.112065 (E_RNA) where: Base-Base interactions energy: -934.557 where: short stacking energy: -384.316 Base-Backbone interact. energy: 0.284 local terms energy: -382.839228 where: bonds (distance) C4'-P energy: -65.441 bonds (distance) P-C4' energy: -64.543 flat angles C4'-P-C4' energy: -82.076 flat angles P-C4'-P energy: -58.846 tors. eta vs tors. theta energy: -111.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1231.686690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.686690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.686690 (E_RNA) where: Base-Base interactions energy: -890.183 where: short stacking energy: -356.544 Base-Backbone interact. energy: 0.657 local terms energy: -342.160711 where: bonds (distance) C4'-P energy: -60.560 bonds (distance) P-C4' energy: -66.872 flat angles C4'-P-C4' energy: -74.316 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -91.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1117.884774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.884774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.884774 (E_RNA) where: Base-Base interactions energy: -799.258 where: short stacking energy: -318.396 Base-Backbone interact. energy: -2.087 local terms energy: -316.539651 where: bonds (distance) C4'-P energy: -54.898 bonds (distance) P-C4' energy: -68.861 flat angles C4'-P-C4' energy: -74.726 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -73.846 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: 5, replica: 8 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1066.378593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.378593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.378593 (E_RNA) where: Base-Base interactions energy: -744.469 where: short stacking energy: -348.691 Base-Backbone interact. energy: -1.995 local terms energy: -319.914341 where: bonds (distance) C4'-P energy: -62.402 bonds (distance) P-C4' energy: -56.156 flat angles C4'-P-C4' energy: -71.830 flat angles P-C4'-P energy: -51.323 tors. eta vs tors. theta energy: -78.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1026.902217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.902217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.902217 (E_RNA) where: Base-Base interactions energy: -713.404 where: short stacking energy: -308.955 Base-Backbone interact. energy: -0.406 local terms energy: -313.091639 where: bonds (distance) C4'-P energy: -64.255 bonds (distance) P-C4' energy: -65.607 flat angles C4'-P-C4' energy: -67.353 flat angles P-C4'-P energy: -31.638 tors. eta vs tors. theta energy: -84.239 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: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -934.842849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.842849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.842849 (E_RNA) where: Base-Base interactions energy: -631.229 where: short stacking energy: -299.761 Base-Backbone interact. energy: 0.083 local terms energy: -303.696370 where: bonds (distance) C4'-P energy: -56.351 bonds (distance) P-C4' energy: -61.442 flat angles C4'-P-C4' energy: -62.834 flat angles P-C4'-P energy: -40.225 tors. eta vs tors. theta energy: -82.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -768.947930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.947930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.947930 (E_RNA) where: Base-Base interactions energy: -521.140 where: short stacking energy: -223.893 Base-Backbone interact. energy: -0.646 local terms energy: -247.161474 where: bonds (distance) C4'-P energy: -57.634 bonds (distance) P-C4' energy: -51.639 flat angles C4'-P-C4' energy: -57.792 flat angles P-C4'-P energy: -35.383 tors. eta vs tors. theta energy: -44.713 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: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -609.569246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.569246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.569246 (E_RNA) where: Base-Base interactions energy: -372.595 where: short stacking energy: -188.815 Base-Backbone interact. energy: 1.380 local terms energy: -238.353707 where: bonds (distance) C4'-P energy: -58.289 bonds (distance) P-C4' energy: -59.585 flat angles C4'-P-C4' energy: -51.770 flat angles P-C4'-P energy: -38.618 tors. eta vs tors. theta energy: -30.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -538.210700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.210700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.210700 (E_RNA) where: Base-Base interactions energy: -297.395 where: short stacking energy: -149.569 Base-Backbone interact. energy: -1.736 local terms energy: -239.080156 where: bonds (distance) C4'-P energy: -53.210 bonds (distance) P-C4' energy: -75.005 flat angles C4'-P-C4' energy: -53.079 flat angles P-C4'-P energy: -30.113 tors. eta vs tors. theta energy: -27.673 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: 322 Temperature: 0.900000 Total energy: -1343.750445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.750445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.750445 (E_RNA) where: Base-Base interactions energy: -968.868 where: short stacking energy: -405.492 Base-Backbone interact. energy: -1.245 local terms energy: -373.637782 where: bonds (distance) C4'-P energy: -59.764 bonds (distance) P-C4' energy: -69.235 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -114.179 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: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1282.851000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.851000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.851000 (E_RNA) where: Base-Base interactions energy: -885.263 where: short stacking energy: -387.508 Base-Backbone interact. energy: -1.175 local terms energy: -396.413711 where: bonds (distance) C4'-P energy: -75.365 bonds (distance) P-C4' energy: -73.159 flat angles C4'-P-C4' energy: -77.628 flat angles P-C4'-P energy: -53.569 tors. eta vs tors. theta energy: -116.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1207.985073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.985073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.985073 (E_RNA) where: Base-Base interactions energy: -857.518 where: short stacking energy: -336.219 Base-Backbone interact. energy: -2.064 local terms energy: -348.403267 where: bonds (distance) C4'-P energy: -72.926 bonds (distance) P-C4' energy: -66.911 flat angles C4'-P-C4' energy: -73.323 flat angles P-C4'-P energy: -49.575 tors. eta vs tors. theta energy: -85.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1131.152350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.152350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.152350 (E_RNA) where: Base-Base interactions energy: -817.535 where: short stacking energy: -329.804 Base-Backbone interact. energy: -2.083 local terms energy: -311.533757 where: bonds (distance) C4'-P energy: -68.798 bonds (distance) P-C4' energy: -60.973 flat angles C4'-P-C4' energy: -57.986 flat angles P-C4'-P energy: -50.137 tors. eta vs tors. theta energy: -73.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1055.611231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.611231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.611231 (E_RNA) where: Base-Base interactions energy: -750.653 where: short stacking energy: -312.293 Base-Backbone interact. energy: -0.449 local terms energy: -304.508550 where: bonds (distance) C4'-P energy: -63.801 bonds (distance) P-C4' energy: -59.912 flat angles C4'-P-C4' energy: -69.718 flat angles P-C4'-P energy: -42.835 tors. eta vs tors. theta energy: -68.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1045.494218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.494218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.494218 (E_RNA) where: Base-Base interactions energy: -729.351 where: short stacking energy: -309.146 Base-Backbone interact. energy: 0.079 local terms energy: -316.221980 where: bonds (distance) C4'-P energy: -69.474 bonds (distance) P-C4' energy: -66.256 flat angles C4'-P-C4' energy: -53.276 flat angles P-C4'-P energy: -41.493 tors. eta vs tors. theta energy: -85.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -912.287794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.287794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.287794 (E_RNA) where: Base-Base interactions energy: -605.185 where: short stacking energy: -279.407 Base-Backbone interact. energy: -0.660 local terms energy: -306.443073 where: bonds (distance) C4'-P energy: -61.946 bonds (distance) P-C4' energy: -61.470 flat angles C4'-P-C4' energy: -69.153 flat angles P-C4'-P energy: -41.246 tors. eta vs tors. theta energy: -72.627 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: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -769.402958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.402958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.402958 (E_RNA) where: Base-Base interactions energy: -495.880 where: short stacking energy: -227.023 Base-Backbone interact. energy: -0.398 local terms energy: -273.125493 where: bonds (distance) C4'-P energy: -57.125 bonds (distance) P-C4' energy: -43.513 flat angles C4'-P-C4' energy: -64.007 flat angles P-C4'-P energy: -47.655 tors. eta vs tors. theta energy: -60.825 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: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -598.532761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.532761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.532761 (E_RNA) where: Base-Base interactions energy: -348.558 where: short stacking energy: -187.803 Base-Backbone interact. energy: -0.871 local terms energy: -249.103605 where: bonds (distance) C4'-P energy: -49.616 bonds (distance) P-C4' energy: -60.689 flat angles C4'-P-C4' energy: -62.978 flat angles P-C4'-P energy: -51.246 tors. eta vs tors. theta energy: -24.575 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: 322 Temperature: 1.350000 Total energy: -510.471028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.471028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.471028 (E_RNA) where: Base-Base interactions energy: -282.591 where: short stacking energy: -151.493 Base-Backbone interact. energy: 1.175 local terms energy: -229.055013 where: bonds (distance) C4'-P energy: -61.590 bonds (distance) P-C4' energy: -39.965 flat angles C4'-P-C4' energy: -72.280 flat angles P-C4'-P energy: -32.891 tors. eta vs tors. theta energy: -22.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1350.104830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.104830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.104830 (E_RNA) where: Base-Base interactions energy: -959.536 where: short stacking energy: -389.837 Base-Backbone interact. energy: 0.133 local terms energy: -390.701981 where: bonds (distance) C4'-P energy: -70.750 bonds (distance) P-C4' energy: -71.602 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -57.840 tors. eta vs tors. theta energy: -117.461 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: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1267.207127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.207127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.207127 (E_RNA) where: Base-Base interactions energy: -890.091 where: short stacking energy: -390.432 Base-Backbone interact. energy: -2.168 local terms energy: -374.947324 where: bonds (distance) C4'-P energy: -66.404 bonds (distance) P-C4' energy: -64.607 flat angles C4'-P-C4' energy: -79.143 flat angles P-C4'-P energy: -57.843 tors. eta vs tors. theta energy: -106.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1216.857472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.857472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.857472 (E_RNA) where: Base-Base interactions energy: -863.331 where: short stacking energy: -349.439 Base-Backbone interact. energy: -3.135 local terms energy: -350.391566 where: bonds (distance) C4'-P energy: -66.611 bonds (distance) P-C4' energy: -68.184 flat angles C4'-P-C4' energy: -71.848 flat angles P-C4'-P energy: -45.236 tors. eta vs tors. theta energy: -98.513 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: 6 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1114.759389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.759389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.759389 (E_RNA) where: Base-Base interactions energy: -793.366 where: short stacking energy: -323.914 Base-Backbone interact. energy: 0.701 local terms energy: -322.095084 where: bonds (distance) C4'-P energy: -64.768 bonds (distance) P-C4' energy: -69.918 flat angles C4'-P-C4' energy: -64.543 flat angles P-C4'-P energy: -41.029 tors. eta vs tors. theta energy: -81.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1033.278835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.278835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.278835 (E_RNA) where: Base-Base interactions energy: -718.751 where: short stacking energy: -310.111 Base-Backbone interact. energy: -1.012 local terms energy: -313.516359 where: bonds (distance) C4'-P energy: -64.585 bonds (distance) P-C4' energy: -51.710 flat angles C4'-P-C4' energy: -69.040 flat angles P-C4'-P energy: -52.571 tors. eta vs tors. theta energy: -75.612 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1063.938141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.938141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.938141 (E_RNA) where: Base-Base interactions energy: -739.498 where: short stacking energy: -298.619 Base-Backbone interact. energy: -1.516 local terms energy: -322.924362 where: bonds (distance) C4'-P energy: -63.661 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -77.680 flat angles P-C4'-P energy: -41.862 tors. eta vs tors. theta energy: -80.213 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -890.523289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.523289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.523289 (E_RNA) where: Base-Base interactions energy: -585.794 where: short stacking energy: -278.634 Base-Backbone interact. energy: -0.957 local terms energy: -303.771413 where: bonds (distance) C4'-P energy: -70.114 bonds (distance) P-C4' energy: -54.696 flat angles C4'-P-C4' energy: -66.566 flat angles P-C4'-P energy: -37.627 tors. eta vs tors. theta energy: -74.768 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: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -736.939090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.939090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.939090 (E_RNA) where: Base-Base interactions energy: -477.733 where: short stacking energy: -226.575 Base-Backbone interact. energy: -0.284 local terms energy: -258.921494 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -59.318 flat angles C4'-P-C4' energy: -43.398 flat angles P-C4'-P energy: -40.119 tors. eta vs tors. theta energy: -46.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -583.064978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.064978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.064978 (E_RNA) where: Base-Base interactions energy: -364.648 where: short stacking energy: -184.298 Base-Backbone interact. energy: -0.122 local terms energy: -218.294304 where: bonds (distance) C4'-P energy: -57.348 bonds (distance) P-C4' energy: -47.122 flat angles C4'-P-C4' energy: -56.915 flat angles P-C4'-P energy: -29.178 tors. eta vs tors. theta energy: -27.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -472.731919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.731919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.731919 (E_RNA) where: Base-Base interactions energy: -264.783 where: short stacking energy: -146.267 Base-Backbone interact. energy: -0.860 local terms energy: -207.089192 where: bonds (distance) C4'-P energy: -54.901 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -54.654 flat angles P-C4'-P energy: -30.962 tors. eta vs tors. theta energy: -13.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1357.363459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.363459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.363459 (E_RNA) where: Base-Base interactions energy: -968.967 where: short stacking energy: -394.074 Base-Backbone interact. energy: -0.894 local terms energy: -387.502164 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -71.055 flat angles C4'-P-C4' energy: -81.752 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -112.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1268.882191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.882191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.882191 (E_RNA) where: Base-Base interactions energy: -873.553 where: short stacking energy: -385.635 Base-Backbone interact. energy: -0.947 local terms energy: -394.381989 where: bonds (distance) C4'-P energy: -68.214 bonds (distance) P-C4' energy: -63.739 flat angles C4'-P-C4' energy: -90.004 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -120.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1224.619247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.619247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.619247 (E_RNA) where: Base-Base interactions energy: -860.053 where: short stacking energy: -347.294 Base-Backbone interact. energy: -1.606 local terms energy: -362.960216 where: bonds (distance) C4'-P energy: -60.232 bonds (distance) P-C4' energy: -67.057 flat angles C4'-P-C4' energy: -87.456 flat angles P-C4'-P energy: -52.660 tors. eta vs tors. theta energy: -95.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1110.152359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.152359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.152359 (E_RNA) where: Base-Base interactions energy: -789.120 where: short stacking energy: -333.290 Base-Backbone interact. energy: 3.976 local terms energy: -325.009075 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -50.846 flat angles C4'-P-C4' energy: -74.367 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -94.554 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: 5 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1101.205392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.205392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.205392 (E_RNA) where: Base-Base interactions energy: -771.553 where: short stacking energy: -315.016 Base-Backbone interact. energy: 5.162 local terms energy: -334.814640 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -69.114 flat angles C4'-P-C4' energy: -76.220 flat angles P-C4'-P energy: -52.943 tors. eta vs tors. theta energy: -75.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -999.283320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.283320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.283320 (E_RNA) where: Base-Base interactions energy: -682.979 where: short stacking energy: -295.139 Base-Backbone interact. energy: 0.975 local terms energy: -317.279653 where: bonds (distance) C4'-P energy: -43.367 bonds (distance) P-C4' energy: -68.950 flat angles C4'-P-C4' energy: -73.310 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -77.069 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: 324 Temperature: 1.200000 Total energy: -916.089709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.089709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.089709 (E_RNA) where: Base-Base interactions energy: -591.486 where: short stacking energy: -283.130 Base-Backbone interact. energy: -1.445 local terms energy: -323.158973 where: bonds (distance) C4'-P energy: -64.323 bonds (distance) P-C4' energy: -59.649 flat angles C4'-P-C4' energy: -67.256 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -80.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -731.685475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.685475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.685475 (E_RNA) where: Base-Base interactions energy: -452.118 where: short stacking energy: -197.841 Base-Backbone interact. energy: 0.058 local terms energy: -279.625509 where: bonds (distance) C4'-P energy: -54.879 bonds (distance) P-C4' energy: -78.426 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -45.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -590.361396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.361396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.361396 (E_RNA) where: Base-Base interactions energy: -337.374 where: short stacking energy: -162.456 Base-Backbone interact. energy: 2.506 local terms energy: -255.492593 where: bonds (distance) C4'-P energy: -50.613 bonds (distance) P-C4' energy: -64.373 flat angles C4'-P-C4' energy: -58.281 flat angles P-C4'-P energy: -47.879 tors. eta vs tors. theta energy: -34.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -472.189994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.189994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.189994 (E_RNA) where: Base-Base interactions energy: -270.329 where: short stacking energy: -130.912 Base-Backbone interact. energy: -2.280 local terms energy: -199.581005 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -52.282 flat angles C4'-P-C4' energy: -47.828 flat angles P-C4'-P energy: -37.010 tors. eta vs tors. theta energy: -7.189 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: 4 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1339.530109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.530109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.530109 (E_RNA) where: Base-Base interactions energy: -948.504 where: short stacking energy: -386.858 Base-Backbone interact. energy: -1.279 local terms energy: -389.747101 where: bonds (distance) C4'-P energy: -63.145 bonds (distance) P-C4' energy: -75.628 flat angles C4'-P-C4' energy: -78.300 flat angles P-C4'-P energy: -59.635 tors. eta vs tors. theta energy: -113.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1268.857517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.857517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.857517 (E_RNA) where: Base-Base interactions energy: -895.425 where: short stacking energy: -401.080 Base-Backbone interact. energy: -0.425 local terms energy: -373.007233 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -75.521 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -109.576 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: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1215.358625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.358625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.358625 (E_RNA) where: Base-Base interactions energy: -869.780 where: short stacking energy: -349.174 Base-Backbone interact. energy: -0.243 local terms energy: -345.335663 where: bonds (distance) C4'-P energy: -62.805 bonds (distance) P-C4' energy: -73.224 flat angles C4'-P-C4' energy: -76.696 flat angles P-C4'-P energy: -45.631 tors. eta vs tors. theta energy: -86.980 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: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1137.571716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.571716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.571716 (E_RNA) where: Base-Base interactions energy: -813.584 where: short stacking energy: -334.760 Base-Backbone interact. energy: -0.895 local terms energy: -323.092493 where: bonds (distance) C4'-P energy: -61.765 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -62.517 flat angles P-C4'-P energy: -50.094 tors. eta vs tors. theta energy: -80.454 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: 325 Temperature: 1.100000 Total energy: -1108.883113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.883113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.883113 (E_RNA) where: Base-Base interactions energy: -790.512 where: short stacking energy: -326.157 Base-Backbone interact. energy: 4.620 local terms energy: -322.991146 where: bonds (distance) C4'-P energy: -63.653 bonds (distance) P-C4' energy: -64.513 flat angles C4'-P-C4' energy: -72.205 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -79.811 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: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -938.006440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.006440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.006440 (E_RNA) where: Base-Base interactions energy: -613.398 where: short stacking energy: -283.615 Base-Backbone interact. energy: -0.151 local terms energy: -324.457486 where: bonds (distance) C4'-P energy: -57.903 bonds (distance) P-C4' energy: -70.086 flat angles C4'-P-C4' energy: -71.003 flat angles P-C4'-P energy: -47.209 tors. eta vs tors. theta energy: -78.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -970.290020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.290020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.290020 (E_RNA) where: Base-Base interactions energy: -685.882 where: short stacking energy: -285.516 Base-Backbone interact. energy: -1.631 local terms energy: -282.777078 where: bonds (distance) C4'-P energy: -57.215 bonds (distance) P-C4' energy: -47.841 flat angles C4'-P-C4' energy: -71.964 flat angles P-C4'-P energy: -37.441 tors. eta vs tors. theta energy: -68.316 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: 8, replica: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -763.593356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.593356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.593356 (E_RNA) where: Base-Base interactions energy: -476.435 where: short stacking energy: -232.366 Base-Backbone interact. energy: -2.534 local terms energy: -284.623950 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -68.822 flat angles C4'-P-C4' energy: -54.913 flat angles P-C4'-P energy: -48.208 tors. eta vs tors. theta energy: -51.835 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: 1 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -618.419636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.419636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.419636 (E_RNA) where: Base-Base interactions energy: -368.938 where: short stacking energy: -192.070 Base-Backbone interact. energy: -1.013 local terms energy: -248.468684 where: bonds (distance) C4'-P energy: -50.376 bonds (distance) P-C4' energy: -67.504 flat angles C4'-P-C4' energy: -46.520 flat angles P-C4'-P energy: -45.413 tors. eta vs tors. theta energy: -38.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -506.493562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.493562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.493562 (E_RNA) where: Base-Base interactions energy: -285.778 where: short stacking energy: -166.183 Base-Backbone interact. energy: -1.916 local terms energy: -218.799340 where: bonds (distance) C4'-P energy: -60.520 bonds (distance) P-C4' energy: -54.763 flat angles C4'-P-C4' energy: -52.150 flat angles P-C4'-P energy: -23.998 tors. eta vs tors. theta energy: -27.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1346.002688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.002688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.002688 (E_RNA) where: Base-Base interactions energy: -963.009 where: short stacking energy: -399.645 Base-Backbone interact. energy: -1.285 local terms energy: -381.708469 where: bonds (distance) C4'-P energy: -67.060 bonds (distance) P-C4' energy: -72.129 flat angles C4'-P-C4' energy: -75.776 flat angles P-C4'-P energy: -58.682 tors. eta vs tors. theta energy: -108.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1275.102930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.102930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.102930 (E_RNA) where: Base-Base interactions energy: -895.927 where: short stacking energy: -372.171 Base-Backbone interact. energy: 1.048 local terms energy: -380.223861 where: bonds (distance) C4'-P energy: -64.674 bonds (distance) P-C4' energy: -70.961 flat angles C4'-P-C4' energy: -82.051 flat angles P-C4'-P energy: -56.743 tors. eta vs tors. theta energy: -105.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1216.396751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.396751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.396751 (E_RNA) where: Base-Base interactions energy: -858.842 where: short stacking energy: -347.436 Base-Backbone interact. energy: -1.770 local terms energy: -355.784101 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -76.246 flat angles C4'-P-C4' energy: -78.962 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -89.244 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: 4, replica: 5 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1109.934213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.934213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.934213 (E_RNA) where: Base-Base interactions energy: -786.454 where: short stacking energy: -318.847 Base-Backbone interact. energy: -1.104 local terms energy: -322.376768 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -65.774 flat angles C4'-P-C4' energy: -77.924 flat angles P-C4'-P energy: -46.818 tors. eta vs tors. theta energy: -74.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1107.829746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.829746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.829746 (E_RNA) where: Base-Base interactions energy: -792.205 where: short stacking energy: -322.572 Base-Backbone interact. energy: -0.533 local terms energy: -315.091314 where: bonds (distance) C4'-P energy: -58.199 bonds (distance) P-C4' energy: -60.182 flat angles C4'-P-C4' energy: -67.318 flat angles P-C4'-P energy: -47.081 tors. eta vs tors. theta energy: -82.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -917.241528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.241528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.241528 (E_RNA) where: Base-Base interactions energy: -598.270 where: short stacking energy: -284.737 Base-Backbone interact. energy: 0.217 local terms energy: -319.188120 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -57.574 flat angles C4'-P-C4' energy: -75.172 flat angles P-C4'-P energy: -46.034 tors. eta vs tors. theta energy: -79.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -973.818629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.818629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.818629 (E_RNA) where: Base-Base interactions energy: -702.301 where: short stacking energy: -294.431 Base-Backbone interact. energy: -1.486 local terms energy: -270.030893 where: bonds (distance) C4'-P energy: -48.589 bonds (distance) P-C4' energy: -48.855 flat angles C4'-P-C4' energy: -66.660 flat angles P-C4'-P energy: -33.455 tors. eta vs tors. theta energy: -72.472 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: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -781.431199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.431199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.431199 (E_RNA) where: Base-Base interactions energy: -525.615 where: short stacking energy: -234.969 Base-Backbone interact. energy: -0.869 local terms energy: -254.947646 where: bonds (distance) C4'-P energy: -47.403 bonds (distance) P-C4' energy: -60.480 flat angles C4'-P-C4' energy: -62.037 flat angles P-C4'-P energy: -27.787 tors. eta vs tors. theta energy: -57.241 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: 1 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -678.782975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.782975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.782975 (E_RNA) where: Base-Base interactions energy: -437.154 where: short stacking energy: -209.684 Base-Backbone interact. energy: 0.218 local terms energy: -241.847196 where: bonds (distance) C4'-P energy: -45.859 bonds (distance) P-C4' energy: -62.642 flat angles C4'-P-C4' energy: -61.797 flat angles P-C4'-P energy: -26.569 tors. eta vs tors. theta energy: -44.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -514.384503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.384503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.384503 (E_RNA) where: Base-Base interactions energy: -281.523 where: short stacking energy: -156.219 Base-Backbone interact. energy: 2.649 local terms energy: -235.510323 where: bonds (distance) C4'-P energy: -52.887 bonds (distance) P-C4' energy: -56.385 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -39.010 tors. eta vs tors. theta energy: -23.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1351.738704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.738704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.738704 (E_RNA) where: Base-Base interactions energy: -949.787 where: short stacking energy: -403.190 Base-Backbone interact. energy: -0.289 local terms energy: -401.662818 where: bonds (distance) C4'-P energy: -70.656 bonds (distance) P-C4' energy: -66.154 flat angles C4'-P-C4' energy: -79.980 flat angles P-C4'-P energy: -61.839 tors. eta vs tors. theta energy: -123.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1265.423465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.423465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.423465 (E_RNA) where: Base-Base interactions energy: -911.550 where: short stacking energy: -399.062 Base-Backbone interact. energy: -0.880 local terms energy: -352.993279 where: bonds (distance) C4'-P energy: -58.008 bonds (distance) P-C4' energy: -61.288 flat angles C4'-P-C4' energy: -78.628 flat angles P-C4'-P energy: -49.338 tors. eta vs tors. theta energy: -105.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1227.145598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.145598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.145598 (E_RNA) where: Base-Base interactions energy: -877.182 where: short stacking energy: -361.855 Base-Backbone interact. energy: -0.288 local terms energy: -349.675993 where: bonds (distance) C4'-P energy: -61.140 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -75.574 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -91.118 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: 5 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1127.431974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.431974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.431974 (E_RNA) where: Base-Base interactions energy: -808.497 where: short stacking energy: -341.684 Base-Backbone interact. energy: -1.835 local terms energy: -317.099795 where: bonds (distance) C4'-P energy: -57.688 bonds (distance) P-C4' energy: -65.584 flat angles C4'-P-C4' energy: -60.109 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -88.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1120.731843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.731843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.731843 (E_RNA) where: Base-Base interactions energy: -808.682 where: short stacking energy: -323.829 Base-Backbone interact. energy: -0.088 local terms energy: -311.961211 where: bonds (distance) C4'-P energy: -52.253 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -76.076 flat angles P-C4'-P energy: -44.745 tors. eta vs tors. theta energy: -79.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -944.705002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.705002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.705002 (E_RNA) where: Base-Base interactions energy: -657.359 where: short stacking energy: -295.175 Base-Backbone interact. energy: -1.061 local terms energy: -286.285750 where: bonds (distance) C4'-P energy: -47.984 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -72.760 flat angles P-C4'-P energy: -32.784 tors. eta vs tors. theta energy: -69.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -948.757557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.757557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.757557 (E_RNA) where: Base-Base interactions energy: -655.850 where: short stacking energy: -273.938 Base-Backbone interact. energy: -1.498 local terms energy: -291.409243 where: bonds (distance) C4'-P energy: -52.013 bonds (distance) P-C4' energy: -57.466 flat angles C4'-P-C4' energy: -65.278 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -68.670 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: 8, replica: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -801.323543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.323543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.323543 (E_RNA) where: Base-Base interactions energy: -539.145 where: short stacking energy: -248.592 Base-Backbone interact. energy: -1.515 local terms energy: -260.663711 where: bonds (distance) C4'-P energy: -57.884 bonds (distance) P-C4' energy: -63.947 flat angles C4'-P-C4' energy: -46.350 flat angles P-C4'-P energy: -31.761 tors. eta vs tors. theta energy: -60.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -753.237431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.237431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.237431 (E_RNA) where: Base-Base interactions energy: -499.916 where: short stacking energy: -262.525 Base-Backbone interact. energy: -0.113 local terms energy: -253.208763 where: bonds (distance) C4'-P energy: -43.074 bonds (distance) P-C4' energy: -49.371 flat angles C4'-P-C4' energy: -58.812 flat angles P-C4'-P energy: -43.840 tors. eta vs tors. theta energy: -58.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -511.745993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.745993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.745993 (E_RNA) where: Base-Base interactions energy: -277.959 where: short stacking energy: -164.450 Base-Backbone interact. energy: -1.715 local terms energy: -232.072128 where: bonds (distance) C4'-P energy: -57.354 bonds (distance) P-C4' energy: -51.412 flat angles C4'-P-C4' energy: -68.807 flat angles P-C4'-P energy: -20.900 tors. eta vs tors. theta energy: -33.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1342.007858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.007858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.007858 (E_RNA) where: Base-Base interactions energy: -950.681 where: short stacking energy: -400.268 Base-Backbone interact. energy: -1.401 local terms energy: -389.925807 where: bonds (distance) C4'-P energy: -67.652 bonds (distance) P-C4' energy: -65.608 flat angles C4'-P-C4' energy: -77.470 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -114.318 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: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1268.490089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.490089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.490089 (E_RNA) where: Base-Base interactions energy: -889.099 where: short stacking energy: -370.471 Base-Backbone interact. energy: -0.269 local terms energy: -379.122302 where: bonds (distance) C4'-P energy: -68.813 bonds (distance) P-C4' energy: -69.240 flat angles C4'-P-C4' energy: -80.348 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -109.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1221.368328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.368328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.368328 (E_RNA) where: Base-Base interactions energy: -870.246 where: short stacking energy: -349.144 Base-Backbone interact. energy: 1.724 local terms energy: -352.846054 where: bonds (distance) C4'-P energy: -65.833 bonds (distance) P-C4' energy: -68.031 flat angles C4'-P-C4' energy: -76.241 flat angles P-C4'-P energy: -49.777 tors. eta vs tors. theta energy: -92.964 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: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1112.052275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.052275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.052275 (E_RNA) where: Base-Base interactions energy: -783.192 where: short stacking energy: -338.316 Base-Backbone interact. energy: -2.470 local terms energy: -326.390117 where: bonds (distance) C4'-P energy: -66.051 bonds (distance) P-C4' energy: -57.742 flat angles C4'-P-C4' energy: -65.977 flat angles P-C4'-P energy: -43.377 tors. eta vs tors. theta energy: -93.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1104.853964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.853964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.853964 (E_RNA) where: Base-Base interactions energy: -771.326 where: short stacking energy: -319.632 Base-Backbone interact. energy: 1.135 local terms energy: -334.662826 where: bonds (distance) C4'-P energy: -63.856 bonds (distance) P-C4' energy: -71.912 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -48.590 tors. eta vs tors. theta energy: -82.831 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: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -977.024521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.024521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.024521 (E_RNA) where: Base-Base interactions energy: -671.134 where: short stacking energy: -305.120 Base-Backbone interact. energy: -1.123 local terms energy: -304.767997 where: bonds (distance) C4'-P energy: -54.222 bonds (distance) P-C4' energy: -61.203 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -40.525 tors. eta vs tors. theta energy: -80.199 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: 8 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -979.777012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.777012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.777012 (E_RNA) where: Base-Base interactions energy: -655.310 where: short stacking energy: -280.714 Base-Backbone interact. energy: 1.907 local terms energy: -326.374511 where: bonds (distance) C4'-P energy: -65.429 bonds (distance) P-C4' energy: -62.761 flat angles C4'-P-C4' energy: -69.687 flat angles P-C4'-P energy: -46.628 tors. eta vs tors. theta energy: -81.869 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: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -789.888415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.888415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.888415 (E_RNA) where: Base-Base interactions energy: -538.420 where: short stacking energy: -237.142 Base-Backbone interact. energy: 6.019 local terms energy: -257.488025 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -59.917 flat angles C4'-P-C4' energy: -53.315 flat angles P-C4'-P energy: -40.624 tors. eta vs tors. theta energy: -43.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -709.117798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.117798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.117798 (E_RNA) where: Base-Base interactions energy: -455.170 where: short stacking energy: -224.887 Base-Backbone interact. energy: -1.202 local terms energy: -252.744935 where: bonds (distance) C4'-P energy: -47.442 bonds (distance) P-C4' energy: -64.706 flat angles C4'-P-C4' energy: -62.482 flat angles P-C4'-P energy: -34.656 tors. eta vs tors. theta energy: -43.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -502.658776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.658776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.658776 (E_RNA) where: Base-Base interactions energy: -291.220 where: short stacking energy: -140.887 Base-Backbone interact. energy: -1.205 local terms energy: -210.234284 where: bonds (distance) C4'-P energy: -62.372 bonds (distance) P-C4' energy: -62.923 flat angles C4'-P-C4' energy: -42.759 flat angles P-C4'-P energy: -23.232 tors. eta vs tors. theta energy: -18.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1345.482713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.482713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.482713 (E_RNA) where: Base-Base interactions energy: -954.470 where: short stacking energy: -399.118 Base-Backbone interact. energy: -1.223 local terms energy: -389.790341 where: bonds (distance) C4'-P energy: -69.647 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -83.759 flat angles P-C4'-P energy: -52.801 tors. eta vs tors. theta energy: -109.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1274.531020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.531020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.531020 (E_RNA) where: Base-Base interactions energy: -886.040 where: short stacking energy: -362.499 Base-Backbone interact. energy: -1.179 local terms energy: -387.311781 where: bonds (distance) C4'-P energy: -69.661 bonds (distance) P-C4' energy: -73.228 flat angles C4'-P-C4' energy: -78.036 flat angles P-C4'-P energy: -61.793 tors. eta vs tors. theta energy: -104.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1236.245272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.245272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.245272 (E_RNA) where: Base-Base interactions energy: -879.532 where: short stacking energy: -365.827 Base-Backbone interact. energy: -0.709 local terms energy: -356.004237 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -82.275 flat angles P-C4'-P energy: -45.438 tors. eta vs tors. theta energy: -91.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1132.105019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.105019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.105019 (E_RNA) where: Base-Base interactions energy: -802.630 where: short stacking energy: -337.227 Base-Backbone interact. energy: -1.805 local terms energy: -327.669502 where: bonds (distance) C4'-P energy: -51.737 bonds (distance) P-C4' energy: -67.796 flat angles C4'-P-C4' energy: -68.911 flat angles P-C4'-P energy: -48.309 tors. eta vs tors. theta energy: -90.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1087.019783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.019783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.019783 (E_RNA) where: Base-Base interactions energy: -778.361 where: short stacking energy: -323.593 Base-Backbone interact. energy: -0.195 local terms energy: -308.463522 where: bonds (distance) C4'-P energy: -53.361 bonds (distance) P-C4' energy: -59.312 flat angles C4'-P-C4' energy: -75.715 flat angles P-C4'-P energy: -42.335 tors. eta vs tors. theta energy: -77.741 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: 3 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -983.777846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.777846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.777846 (E_RNA) where: Base-Base interactions energy: -664.682 where: short stacking energy: -302.458 Base-Backbone interact. energy: -1.166 local terms energy: -317.930131 where: bonds (distance) C4'-P energy: -64.025 bonds (distance) P-C4' energy: -64.735 flat angles C4'-P-C4' energy: -55.976 flat angles P-C4'-P energy: -54.113 tors. eta vs tors. theta energy: -79.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -930.861334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.861334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.861334 (E_RNA) where: Base-Base interactions energy: -662.101 where: short stacking energy: -273.840 Base-Backbone interact. energy: -0.034 local terms energy: -268.725987 where: bonds (distance) C4'-P energy: -61.550 bonds (distance) P-C4' energy: -50.846 flat angles C4'-P-C4' energy: -55.803 flat angles P-C4'-P energy: -36.731 tors. eta vs tors. theta energy: -63.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -797.046811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.046811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.046811 (E_RNA) where: Base-Base interactions energy: -524.395 where: short stacking energy: -237.317 Base-Backbone interact. energy: 0.736 local terms energy: -273.387848 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -49.712 flat angles C4'-P-C4' energy: -69.545 flat angles P-C4'-P energy: -39.853 tors. eta vs tors. theta energy: -57.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -705.277422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.277422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.277422 (E_RNA) where: Base-Base interactions energy: -440.205 where: short stacking energy: -194.969 Base-Backbone interact. energy: -0.190 local terms energy: -264.882774 where: bonds (distance) C4'-P energy: -61.091 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -57.216 flat angles P-C4'-P energy: -40.809 tors. eta vs tors. theta energy: -42.595 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: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -483.866034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.866034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.866034 (E_RNA) where: Base-Base interactions energy: -265.701 where: short stacking energy: -143.212 Base-Backbone interact. energy: 1.388 local terms energy: -219.553054 where: bonds (distance) C4'-P energy: -64.373 bonds (distance) P-C4' energy: -55.858 flat angles C4'-P-C4' energy: -60.201 flat angles P-C4'-P energy: -28.874 tors. eta vs tors. theta energy: -10.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1274.512498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.512498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.512498 (E_RNA) where: Base-Base interactions energy: -882.330 where: short stacking energy: -371.277 Base-Backbone interact. energy: -0.191 local terms energy: -391.992056 where: bonds (distance) C4'-P energy: -70.603 bonds (distance) P-C4' energy: -70.634 flat angles C4'-P-C4' energy: -78.967 flat angles P-C4'-P energy: -59.636 tors. eta vs tors. theta energy: -112.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1325.445423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.445423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.445423 (E_RNA) where: Base-Base interactions energy: -936.960 where: short stacking energy: -388.249 Base-Backbone interact. energy: -0.111 local terms energy: -388.374267 where: bonds (distance) C4'-P energy: -66.238 bonds (distance) P-C4' energy: -83.582 flat angles C4'-P-C4' energy: -70.617 flat angles P-C4'-P energy: -56.575 tors. eta vs tors. theta energy: -111.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1240.276481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.276481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.276481 (E_RNA) where: Base-Base interactions energy: -898.971 where: short stacking energy: -362.111 Base-Backbone interact. energy: -1.211 local terms energy: -340.094249 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -66.206 flat angles C4'-P-C4' energy: -74.664 flat angles P-C4'-P energy: -57.607 tors. eta vs tors. theta energy: -89.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1121.594224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.594224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.594224 (E_RNA) where: Base-Base interactions energy: -801.309 where: short stacking energy: -319.393 Base-Backbone interact. energy: 1.028 local terms energy: -321.312660 where: bonds (distance) C4'-P energy: -64.417 bonds (distance) P-C4' energy: -64.325 flat angles C4'-P-C4' energy: -67.528 flat angles P-C4'-P energy: -40.096 tors. eta vs tors. theta energy: -84.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1104.726753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.726753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.726753 (E_RNA) where: Base-Base interactions energy: -785.398 where: short stacking energy: -323.668 Base-Backbone interact. energy: 6.275 local terms energy: -325.603802 where: bonds (distance) C4'-P energy: -55.616 bonds (distance) P-C4' energy: -62.099 flat angles C4'-P-C4' energy: -70.980 flat angles P-C4'-P energy: -51.815 tors. eta vs tors. theta energy: -85.094 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: 3 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1001.535096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.535096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.535096 (E_RNA) where: Base-Base interactions energy: -673.364 where: short stacking energy: -299.262 Base-Backbone interact. energy: -0.972 local terms energy: -327.199622 where: bonds (distance) C4'-P energy: -64.202 bonds (distance) P-C4' energy: -64.808 flat angles C4'-P-C4' energy: -68.493 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -90.263 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: 330 Temperature: 1.200000 Total energy: -981.785184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.785184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.785184 (E_RNA) where: Base-Base interactions energy: -684.676 where: short stacking energy: -276.853 Base-Backbone interact. energy: 0.931 local terms energy: -298.040917 where: bonds (distance) C4'-P energy: -70.521 bonds (distance) P-C4' energy: -55.955 flat angles C4'-P-C4' energy: -71.533 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -56.301 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: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -766.950826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.950826 (E_RNA) where: Base-Base interactions energy: -488.745 where: short stacking energy: -211.139 Base-Backbone interact. energy: -0.053 local terms energy: -278.152573 where: bonds (distance) C4'-P energy: -68.855 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -74.270 flat angles P-C4'-P energy: -36.029 tors. eta vs tors. theta energy: -34.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -715.707871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.707871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.707871 (E_RNA) where: Base-Base interactions energy: -450.639 where: short stacking energy: -218.482 Base-Backbone interact. energy: -1.512 local terms energy: -263.557047 where: bonds (distance) C4'-P energy: -62.943 bonds (distance) P-C4' energy: -57.049 flat angles C4'-P-C4' energy: -63.754 flat angles P-C4'-P energy: -41.133 tors. eta vs tors. theta energy: -38.678 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: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -389.540839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.540839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.540839 (E_RNA) where: Base-Base interactions energy: -209.089 where: short stacking energy: -125.724 Base-Backbone interact. energy: 2.843 local terms energy: -183.294105 where: bonds (distance) C4'-P energy: -35.532 bonds (distance) P-C4' energy: -65.342 flat angles C4'-P-C4' energy: -43.671 flat angles P-C4'-P energy: -32.617 tors. eta vs tors. theta energy: -6.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1278.578935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.578935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.578935 (E_RNA) where: Base-Base interactions energy: -896.163 where: short stacking energy: -381.012 Base-Backbone interact. energy: 0.063 local terms energy: -382.479189 where: bonds (distance) C4'-P energy: -69.385 bonds (distance) P-C4' energy: -75.003 flat angles C4'-P-C4' energy: -77.842 flat angles P-C4'-P energy: -53.690 tors. eta vs tors. theta energy: -106.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1306.540811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.540811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.540811 (E_RNA) where: Base-Base interactions energy: -944.180 where: short stacking energy: -389.743 Base-Backbone interact. energy: -0.783 local terms energy: -361.578024 where: bonds (distance) C4'-P energy: -62.638 bonds (distance) P-C4' energy: -65.468 flat angles C4'-P-C4' energy: -75.303 flat angles P-C4'-P energy: -50.999 tors. eta vs tors. theta energy: -107.170 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: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1241.091445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.091445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.091445 (E_RNA) where: Base-Base interactions energy: -892.348 where: short stacking energy: -373.766 Base-Backbone interact. energy: -0.758 local terms energy: -347.985589 where: bonds (distance) C4'-P energy: -60.140 bonds (distance) P-C4' energy: -67.179 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -51.028 tors. eta vs tors. theta energy: -98.439 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: 331 Temperature: 1.050000 Total energy: -1140.948296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.948296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.948296 (E_RNA) where: Base-Base interactions energy: -795.642 where: short stacking energy: -313.798 Base-Backbone interact. energy: 0.562 local terms energy: -345.868064 where: bonds (distance) C4'-P energy: -66.714 bonds (distance) P-C4' energy: -74.322 flat angles C4'-P-C4' energy: -70.676 flat angles P-C4'-P energy: -53.604 tors. eta vs tors. theta energy: -80.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1115.959946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.959946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.959946 (E_RNA) where: Base-Base interactions energy: -804.129 where: short stacking energy: -331.170 Base-Backbone interact. energy: 1.458 local terms energy: -313.288561 where: bonds (distance) C4'-P energy: -55.928 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: -84.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1040.522977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.522977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.522977 (E_RNA) where: Base-Base interactions energy: -729.819 where: short stacking energy: -297.363 Base-Backbone interact. energy: -0.967 local terms energy: -309.736692 where: bonds (distance) C4'-P energy: -61.007 bonds (distance) P-C4' energy: -66.434 flat angles C4'-P-C4' energy: -66.168 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -72.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -970.126119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.126119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.126119 (E_RNA) where: Base-Base interactions energy: -663.630 where: short stacking energy: -292.832 Base-Backbone interact. energy: -1.134 local terms energy: -305.361924 where: bonds (distance) C4'-P energy: -61.099 bonds (distance) P-C4' energy: -64.462 flat angles C4'-P-C4' energy: -64.804 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -72.826 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: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -816.598685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.598685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.598685 (E_RNA) where: Base-Base interactions energy: -554.772 where: short stacking energy: -251.142 Base-Backbone interact. energy: 2.419 local terms energy: -264.244839 where: bonds (distance) C4'-P energy: -54.252 bonds (distance) P-C4' energy: -58.547 flat angles C4'-P-C4' energy: -66.077 flat angles P-C4'-P energy: -28.196 tors. eta vs tors. theta energy: -57.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -756.988517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.988517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.988517 (E_RNA) where: Base-Base interactions energy: -474.461 where: short stacking energy: -221.776 Base-Backbone interact. energy: -2.072 local terms energy: -280.454992 where: bonds (distance) C4'-P energy: -55.943 bonds (distance) P-C4' energy: -65.208 flat angles C4'-P-C4' energy: -61.542 flat angles P-C4'-P energy: -39.808 tors. eta vs tors. theta energy: -57.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -416.762654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.762654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.762654 (E_RNA) where: Base-Base interactions energy: -218.477 where: short stacking energy: -131.510 Base-Backbone interact. energy: -1.515 local terms energy: -196.770694 where: bonds (distance) C4'-P energy: -52.811 bonds (distance) P-C4' energy: -46.655 flat angles C4'-P-C4' energy: -54.361 flat angles P-C4'-P energy: -30.579 tors. eta vs tors. theta energy: -12.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1333.426467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.426467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.426467 (E_RNA) where: Base-Base interactions energy: -946.669 where: short stacking energy: -384.364 Base-Backbone interact. energy: -3.003 local terms energy: -383.754142 where: bonds (distance) C4'-P energy: -72.361 bonds (distance) P-C4' energy: -69.443 flat angles C4'-P-C4' energy: -79.326 flat angles P-C4'-P energy: -51.304 tors. eta vs tors. theta energy: -111.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1270.168599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.168599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.168599 (E_RNA) where: Base-Base interactions energy: -883.547 where: short stacking energy: -377.815 Base-Backbone interact. energy: -0.475 local terms energy: -386.145876 where: bonds (distance) C4'-P energy: -61.112 bonds (distance) P-C4' energy: -74.934 flat angles C4'-P-C4' energy: -77.699 flat angles P-C4'-P energy: -62.705 tors. eta vs tors. theta energy: -109.696 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: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1247.032934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.032934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.032934 (E_RNA) where: Base-Base interactions energy: -880.539 where: short stacking energy: -353.517 Base-Backbone interact. energy: -1.262 local terms energy: -365.232350 where: bonds (distance) C4'-P energy: -76.481 bonds (distance) P-C4' energy: -73.730 flat angles C4'-P-C4' energy: -72.976 flat angles P-C4'-P energy: -47.548 tors. eta vs tors. theta energy: -94.497 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: 5 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1105.704830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.704830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.704830 (E_RNA) where: Base-Base interactions energy: -781.972 where: short stacking energy: -348.737 Base-Backbone interact. energy: -0.581 local terms energy: -323.151652 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -69.828 flat angles C4'-P-C4' energy: -72.882 flat angles P-C4'-P energy: -28.802 tors. eta vs tors. theta energy: -91.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1068.958805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.958805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.958805 (E_RNA) where: Base-Base interactions energy: -768.292 where: short stacking energy: -320.865 Base-Backbone interact. energy: 5.017 local terms energy: -305.683882 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -56.415 flat angles C4'-P-C4' energy: -68.279 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: -70.801 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: 8 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1039.127044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.127044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.127044 (E_RNA) where: Base-Base interactions energy: -730.105 where: short stacking energy: -296.726 Base-Backbone interact. energy: 0.762 local terms energy: -309.783267 where: bonds (distance) C4'-P energy: -46.538 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -48.718 tors. eta vs tors. theta energy: -80.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -998.456790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.456790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.456790 (E_RNA) where: Base-Base interactions energy: -689.359 where: short stacking energy: -300.971 Base-Backbone interact. energy: 0.938 local terms energy: -310.035563 where: bonds (distance) C4'-P energy: -53.363 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -84.015 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: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -789.930526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.930526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.930526 (E_RNA) where: Base-Base interactions energy: -500.829 where: short stacking energy: -212.060 Base-Backbone interact. energy: -1.870 local terms energy: -287.232098 where: bonds (distance) C4'-P energy: -64.626 bonds (distance) P-C4' energy: -63.283 flat angles C4'-P-C4' energy: -69.245 flat angles P-C4'-P energy: -40.808 tors. eta vs tors. theta energy: -49.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -759.001707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.001707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.001707 (E_RNA) where: Base-Base interactions energy: -489.910 where: short stacking energy: -238.013 Base-Backbone interact. energy: -0.982 local terms energy: -268.108943 where: bonds (distance) C4'-P energy: -55.233 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -64.089 flat angles P-C4'-P energy: -33.647 tors. eta vs tors. theta energy: -52.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -469.746031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.746031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.746031 (E_RNA) where: Base-Base interactions energy: -277.265 where: short stacking energy: -161.313 Base-Backbone interact. energy: -0.398 local terms energy: -192.083341 where: bonds (distance) C4'-P energy: -42.776 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -38.841 flat angles P-C4'-P energy: -35.305 tors. eta vs tors. theta energy: -19.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1347.339131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.339131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.339131 (E_RNA) where: Base-Base interactions energy: -966.573 where: short stacking energy: -400.928 Base-Backbone interact. energy: -1.004 local terms energy: -379.761416 where: bonds (distance) C4'-P energy: -64.342 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -79.334 flat angles P-C4'-P energy: -61.121 tors. eta vs tors. theta energy: -110.448 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: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1267.726683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.726683 (E_RNA) where: Base-Base interactions energy: -898.279 where: short stacking energy: -391.068 Base-Backbone interact. energy: -0.692 local terms energy: -368.755171 where: bonds (distance) C4'-P energy: -59.362 bonds (distance) P-C4' energy: -76.481 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -54.158 tors. eta vs tors. theta energy: -111.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1230.106014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.106014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.106014 (E_RNA) where: Base-Base interactions energy: -882.294 where: short stacking energy: -355.141 Base-Backbone interact. energy: -0.464 local terms energy: -347.348300 where: bonds (distance) C4'-P energy: -63.223 bonds (distance) P-C4' energy: -61.837 flat angles C4'-P-C4' energy: -72.091 flat angles P-C4'-P energy: -49.705 tors. eta vs tors. theta energy: -100.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1084.868872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.868872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.868872 (E_RNA) where: Base-Base interactions energy: -781.788 where: short stacking energy: -315.319 Base-Backbone interact. energy: -1.013 local terms energy: -302.067740 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -65.721 flat angles C4'-P-C4' energy: -71.693 flat angles P-C4'-P energy: -30.345 tors. eta vs tors. theta energy: -75.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1086.058799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.058799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.058799 (E_RNA) where: Base-Base interactions energy: -782.587 where: short stacking energy: -307.977 Base-Backbone interact. energy: 0.349 local terms energy: -303.820481 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -65.416 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -68.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1039.856956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.856956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.856956 (E_RNA) where: Base-Base interactions energy: -731.347 where: short stacking energy: -314.324 Base-Backbone interact. energy: 0.123 local terms energy: -308.633114 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -58.457 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -45.349 tors. eta vs tors. theta energy: -77.907 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: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -959.978073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.978073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.978073 (E_RNA) where: Base-Base interactions energy: -657.604 where: short stacking energy: -286.263 Base-Backbone interact. energy: -1.748 local terms energy: -300.626094 where: bonds (distance) C4'-P energy: -45.596 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -67.737 flat angles P-C4'-P energy: -46.994 tors. eta vs tors. theta energy: -81.137 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: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -750.301730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.301730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.301730 (E_RNA) where: Base-Base interactions energy: -503.221 where: short stacking energy: -232.315 Base-Backbone interact. energy: -1.386 local terms energy: -245.695039 where: bonds (distance) C4'-P energy: -44.159 bonds (distance) P-C4' energy: -55.119 flat angles C4'-P-C4' energy: -65.574 flat angles P-C4'-P energy: -35.819 tors. eta vs tors. theta energy: -45.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -755.475832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.475832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.475832 (E_RNA) where: Base-Base interactions energy: -479.727 where: short stacking energy: -218.870 Base-Backbone interact. energy: -1.225 local terms energy: -274.524037 where: bonds (distance) C4'-P energy: -71.063 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -59.532 flat angles P-C4'-P energy: -31.632 tors. eta vs tors. theta energy: -48.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -519.194153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.194153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.194153 (E_RNA) where: Base-Base interactions energy: -320.134 where: short stacking energy: -178.577 Base-Backbone interact. energy: 1.814 local terms energy: -200.873819 where: bonds (distance) C4'-P energy: -50.405 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -39.281 flat angles P-C4'-P energy: -25.090 tors. eta vs tors. theta energy: -31.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1358.417952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.417952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.417952 (E_RNA) where: Base-Base interactions energy: -979.349 where: short stacking energy: -413.035 Base-Backbone interact. energy: 0.900 local terms energy: -379.969038 where: bonds (distance) C4'-P energy: -66.501 bonds (distance) P-C4' energy: -56.891 flat angles C4'-P-C4' energy: -80.130 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: -117.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1251.791014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.791014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.791014 (E_RNA) where: Base-Base interactions energy: -873.491 where: short stacking energy: -365.523 Base-Backbone interact. energy: -1.533 local terms energy: -376.767280 where: bonds (distance) C4'-P energy: -73.084 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -77.830 flat angles P-C4'-P energy: -62.208 tors. eta vs tors. theta energy: -103.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1222.869219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.869219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.869219 (E_RNA) where: Base-Base interactions energy: -890.495 where: short stacking energy: -350.050 Base-Backbone interact. energy: -2.120 local terms energy: -330.254772 where: bonds (distance) C4'-P energy: -61.954 bonds (distance) P-C4' energy: -68.388 flat angles C4'-P-C4' energy: -66.252 flat angles P-C4'-P energy: -38.863 tors. eta vs tors. theta energy: -94.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1113.074068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.074068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.074068 (E_RNA) where: Base-Base interactions energy: -784.161 where: short stacking energy: -322.774 Base-Backbone interact. energy: -2.005 local terms energy: -326.908154 where: bonds (distance) C4'-P energy: -62.111 bonds (distance) P-C4' energy: -60.341 flat angles C4'-P-C4' energy: -76.774 flat angles P-C4'-P energy: -41.969 tors. eta vs tors. theta energy: -85.712 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: 8 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1101.013469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.013469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.013469 (E_RNA) where: Base-Base interactions energy: -780.822 where: short stacking energy: -328.961 Base-Backbone interact. energy: 0.988 local terms energy: -321.179358 where: bonds (distance) C4'-P energy: -60.211 bonds (distance) P-C4' energy: -64.488 flat angles C4'-P-C4' energy: -69.311 flat angles P-C4'-P energy: -43.638 tors. eta vs tors. theta energy: -83.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1070.334617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.334617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.334617 (E_RNA) where: Base-Base interactions energy: -772.722 where: short stacking energy: -313.929 Base-Backbone interact. energy: 1.586 local terms energy: -299.198661 where: bonds (distance) C4'-P energy: -55.301 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -65.942 flat angles P-C4'-P energy: -37.383 tors. eta vs tors. theta energy: -75.202 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: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -984.044490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.044490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.044490 (E_RNA) where: Base-Base interactions energy: -681.242 where: short stacking energy: -307.417 Base-Backbone interact. energy: -0.354 local terms energy: -302.447746 where: bonds (distance) C4'-P energy: -49.377 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -65.371 flat angles P-C4'-P energy: -39.803 tors. eta vs tors. theta energy: -79.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -771.209755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.209755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.209755 (E_RNA) where: Base-Base interactions energy: -518.020 where: short stacking energy: -236.673 Base-Backbone interact. energy: 1.167 local terms energy: -254.356620 where: bonds (distance) C4'-P energy: -50.366 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -70.373 flat angles P-C4'-P energy: -36.022 tors. eta vs tors. theta energy: -38.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -700.044474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.044474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.044474 (E_RNA) where: Base-Base interactions energy: -457.767 where: short stacking energy: -216.835 Base-Backbone interact. energy: -1.260 local terms energy: -241.017394 where: bonds (distance) C4'-P energy: -62.153 bonds (distance) P-C4' energy: -50.842 flat angles C4'-P-C4' energy: -56.434 flat angles P-C4'-P energy: -27.678 tors. eta vs tors. theta energy: -43.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -505.671976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.671976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.671976 (E_RNA) where: Base-Base interactions energy: -294.316 where: short stacking energy: -159.807 Base-Backbone interact. energy: -0.807 local terms energy: -210.548741 where: bonds (distance) C4'-P energy: -53.677 bonds (distance) P-C4' energy: -55.558 flat angles C4'-P-C4' energy: -51.310 flat angles P-C4'-P energy: -32.341 tors. eta vs tors. theta energy: -17.663 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: 4 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1344.082393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.082393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.082393 (E_RNA) where: Base-Base interactions energy: -960.953 where: short stacking energy: -392.890 Base-Backbone interact. energy: -1.121 local terms energy: -382.007729 where: bonds (distance) C4'-P energy: -76.310 bonds (distance) P-C4' energy: -67.657 flat angles C4'-P-C4' energy: -73.382 flat angles P-C4'-P energy: -48.116 tors. eta vs tors. theta energy: -116.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1253.543688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.543688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.543688 (E_RNA) where: Base-Base interactions energy: -891.066 where: short stacking energy: -351.312 Base-Backbone interact. energy: 0.140 local terms energy: -362.618253 where: bonds (distance) C4'-P energy: -72.373 bonds (distance) P-C4' energy: -76.446 flat angles C4'-P-C4' energy: -77.847 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -87.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1249.781221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.781221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.781221 (E_RNA) where: Base-Base interactions energy: -871.916 where: short stacking energy: -365.699 Base-Backbone interact. energy: -1.090 local terms energy: -376.774516 where: bonds (distance) C4'-P energy: -69.154 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -73.040 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: -105.345 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1147.669962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.669962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.669962 (E_RNA) where: Base-Base interactions energy: -811.278 where: short stacking energy: -342.916 Base-Backbone interact. energy: 2.001 local terms energy: -338.393372 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -70.888 flat angles C4'-P-C4' energy: -73.579 flat angles P-C4'-P energy: -41.361 tors. eta vs tors. theta energy: -93.682 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: 5 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1067.783951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.783951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.783951 (E_RNA) where: Base-Base interactions energy: -754.768 where: short stacking energy: -307.564 Base-Backbone interact. energy: -1.780 local terms energy: -311.235254 where: bonds (distance) C4'-P energy: -59.890 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -70.092 flat angles P-C4'-P energy: -39.600 tors. eta vs tors. theta energy: -84.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1084.475524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.475524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.475524 (E_RNA) where: Base-Base interactions energy: -775.096 where: short stacking energy: -309.106 Base-Backbone interact. energy: 6.731 local terms energy: -316.110655 where: bonds (distance) C4'-P energy: -59.949 bonds (distance) P-C4' energy: -56.848 flat angles C4'-P-C4' energy: -76.746 flat angles P-C4'-P energy: -46.683 tors. eta vs tors. theta energy: -75.884 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: 335 Temperature: 1.200000 Total energy: -1001.243194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.243194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.243194 (E_RNA) where: Base-Base interactions energy: -706.312 where: short stacking energy: -304.274 Base-Backbone interact. energy: -0.767 local terms energy: -294.164932 where: bonds (distance) C4'-P energy: -68.942 bonds (distance) P-C4' energy: -48.616 flat angles C4'-P-C4' energy: -63.147 flat angles P-C4'-P energy: -34.256 tors. eta vs tors. theta energy: -79.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -806.990622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.990622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.990622 (E_RNA) where: Base-Base interactions energy: -533.231 where: short stacking energy: -232.656 Base-Backbone interact. energy: -0.549 local terms energy: -273.211066 where: bonds (distance) C4'-P energy: -62.456 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -57.304 flat angles P-C4'-P energy: -34.134 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: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -728.637163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.637163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.637163 (E_RNA) where: Base-Base interactions energy: -461.545 where: short stacking energy: -203.722 Base-Backbone interact. energy: -2.141 local terms energy: -264.951138 where: bonds (distance) C4'-P energy: -62.126 bonds (distance) P-C4' energy: -65.551 flat angles C4'-P-C4' energy: -56.259 flat angles P-C4'-P energy: -44.368 tors. eta vs tors. theta energy: -36.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -523.973941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.973941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.973941 (E_RNA) where: Base-Base interactions energy: -301.135 where: short stacking energy: -154.513 Base-Backbone interact. energy: 0.059 local terms energy: -222.898228 where: bonds (distance) C4'-P energy: -45.842 bonds (distance) P-C4' energy: -60.108 flat angles C4'-P-C4' energy: -57.128 flat angles P-C4'-P energy: -32.350 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: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1359.612001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.612001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.612001 (E_RNA) where: Base-Base interactions energy: -953.727 where: short stacking energy: -392.290 Base-Backbone interact. energy: -1.506 local terms energy: -404.378793 where: bonds (distance) C4'-P energy: -71.653 bonds (distance) P-C4' energy: -74.427 flat angles C4'-P-C4' energy: -80.535 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -116.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1253.891663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.891663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.891663 (E_RNA) where: Base-Base interactions energy: -893.506 where: short stacking energy: -367.244 Base-Backbone interact. energy: 1.075 local terms energy: -361.460897 where: bonds (distance) C4'-P energy: -63.159 bonds (distance) P-C4' energy: -67.812 flat angles C4'-P-C4' energy: -75.297 flat angles P-C4'-P energy: -60.510 tors. eta vs tors. theta energy: -94.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1240.213382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.213382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.213382 (E_RNA) where: Base-Base interactions energy: -858.870 where: short stacking energy: -369.750 Base-Backbone interact. energy: -0.929 local terms energy: -380.414420 where: bonds (distance) C4'-P energy: -70.435 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -53.371 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: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1111.588697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.588697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.588697 (E_RNA) where: Base-Base interactions energy: -790.905 where: short stacking energy: -331.652 Base-Backbone interact. energy: 0.346 local terms energy: -321.029506 where: bonds (distance) C4'-P energy: -59.993 bonds (distance) P-C4' energy: -54.247 flat angles C4'-P-C4' energy: -76.045 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -78.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1078.483488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.483488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.483488 (E_RNA) where: Base-Base interactions energy: -751.516 where: short stacking energy: -312.699 Base-Backbone interact. energy: -1.731 local terms energy: -325.236255 where: bonds (distance) C4'-P energy: -65.347 bonds (distance) P-C4' energy: -58.538 flat angles C4'-P-C4' energy: -73.640 flat angles P-C4'-P energy: -48.624 tors. eta vs tors. theta energy: -79.087 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: 336 Temperature: 1.150000 Total energy: -1055.459737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.459737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.459737 (E_RNA) where: Base-Base interactions energy: -739.698 where: short stacking energy: -294.292 Base-Backbone interact. energy: -1.578 local terms energy: -314.184112 where: bonds (distance) C4'-P energy: -64.574 bonds (distance) P-C4' energy: -62.217 flat angles C4'-P-C4' energy: -66.738 flat angles P-C4'-P energy: -50.775 tors. eta vs tors. theta energy: -69.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -981.726497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.726497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.726497 (E_RNA) where: Base-Base interactions energy: -668.388 where: short stacking energy: -314.985 Base-Backbone interact. energy: -1.227 local terms energy: -312.110799 where: bonds (distance) C4'-P energy: -59.272 bonds (distance) P-C4' energy: -54.345 flat angles C4'-P-C4' energy: -64.119 flat angles P-C4'-P energy: -44.084 tors. eta vs tors. theta energy: -90.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -824.109472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.109472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.109472 (E_RNA) where: Base-Base interactions energy: -554.371 where: short stacking energy: -254.974 Base-Backbone interact. energy: 1.089 local terms energy: -270.828194 where: bonds (distance) C4'-P energy: -56.573 bonds (distance) P-C4' energy: -54.545 flat angles C4'-P-C4' energy: -65.261 flat angles P-C4'-P energy: -34.919 tors. eta vs tors. theta energy: -59.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -737.626562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.626562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.626562 (E_RNA) where: Base-Base interactions energy: -506.612 where: short stacking energy: -237.429 Base-Backbone interact. energy: -2.916 local terms energy: -228.098323 where: bonds (distance) C4'-P energy: -42.583 bonds (distance) P-C4' energy: -56.615 flat angles C4'-P-C4' energy: -41.720 flat angles P-C4'-P energy: -39.824 tors. eta vs tors. theta energy: -47.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -575.125380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.125380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.125380 (E_RNA) where: Base-Base interactions energy: -342.294 where: short stacking energy: -159.165 Base-Backbone interact. energy: -0.231 local terms energy: -232.599838 where: bonds (distance) C4'-P energy: -62.453 bonds (distance) P-C4' energy: -56.912 flat angles C4'-P-C4' energy: -51.425 flat angles P-C4'-P energy: -36.461 tors. eta vs tors. theta energy: -25.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1346.383051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.383051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.383051 (E_RNA) where: Base-Base interactions energy: -954.883 where: short stacking energy: -397.050 Base-Backbone interact. energy: -0.332 local terms energy: -391.167391 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -65.244 flat angles C4'-P-C4' energy: -77.371 flat angles P-C4'-P energy: -59.571 tors. eta vs tors. theta energy: -114.011 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: 7 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1257.749390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.749390 (E_RNA) where: Base-Base interactions energy: -890.050 where: short stacking energy: -362.295 Base-Backbone interact. energy: -1.980 local terms energy: -365.718812 where: bonds (distance) C4'-P energy: -68.132 bonds (distance) P-C4' energy: -69.085 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -92.314 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: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1219.234641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.234641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.234641 (E_RNA) where: Base-Base interactions energy: -855.464 where: short stacking energy: -343.109 Base-Backbone interact. energy: 0.702 local terms energy: -364.472587 where: bonds (distance) C4'-P energy: -73.695 bonds (distance) P-C4' energy: -64.184 flat angles C4'-P-C4' energy: -73.517 flat angles P-C4'-P energy: -53.147 tors. eta vs tors. theta energy: -99.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1092.340490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.340490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.340490 (E_RNA) where: Base-Base interactions energy: -770.860 where: short stacking energy: -329.936 Base-Backbone interact. energy: -2.094 local terms energy: -319.386948 where: bonds (distance) C4'-P energy: -63.475 bonds (distance) P-C4' energy: -57.510 flat angles C4'-P-C4' energy: -66.460 flat angles P-C4'-P energy: -55.104 tors. eta vs tors. theta energy: -76.838 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: 8 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1074.320851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.320851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.320851 (E_RNA) where: Base-Base interactions energy: -733.665 where: short stacking energy: -301.004 Base-Backbone interact. energy: 0.000 local terms energy: -340.656330 where: bonds (distance) C4'-P energy: -70.201 bonds (distance) P-C4' energy: -66.985 flat angles C4'-P-C4' energy: -69.190 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -80.043 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: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1065.018753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.018753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.018753 (E_RNA) where: Base-Base interactions energy: -757.074 where: short stacking energy: -308.990 Base-Backbone interact. energy: -1.362 local terms energy: -306.582658 where: bonds (distance) C4'-P energy: -60.051 bonds (distance) P-C4' energy: -56.933 flat angles C4'-P-C4' energy: -65.729 flat angles P-C4'-P energy: -52.503 tors. eta vs tors. theta energy: -71.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -962.784567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.784567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.784567 (E_RNA) where: Base-Base interactions energy: -664.193 where: short stacking energy: -278.396 Base-Backbone interact. energy: 0.812 local terms energy: -299.404315 where: bonds (distance) C4'-P energy: -61.912 bonds (distance) P-C4' energy: -47.380 flat angles C4'-P-C4' energy: -68.699 flat angles P-C4'-P energy: -37.400 tors. eta vs tors. theta energy: -84.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -812.555609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.555609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.555609 (E_RNA) where: Base-Base interactions energy: -537.987 where: short stacking energy: -250.658 Base-Backbone interact. energy: 2.002 local terms energy: -276.570398 where: bonds (distance) C4'-P energy: -57.160 bonds (distance) P-C4' energy: -65.495 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -35.074 tors. eta vs tors. theta energy: -54.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -719.230103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.230103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.230103 (E_RNA) where: Base-Base interactions energy: -471.159 where: short stacking energy: -221.962 Base-Backbone interact. energy: -1.083 local terms energy: -246.987675 where: bonds (distance) C4'-P energy: -54.407 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -52.501 flat angles P-C4'-P energy: -32.857 tors. eta vs tors. theta energy: -46.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -530.307740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.307740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.307740 (E_RNA) where: Base-Base interactions energy: -301.998 where: short stacking energy: -143.811 Base-Backbone interact. energy: -0.722 local terms energy: -227.587004 where: bonds (distance) C4'-P energy: -66.390 bonds (distance) P-C4' energy: -53.276 flat angles C4'-P-C4' energy: -56.849 flat angles P-C4'-P energy: -35.759 tors. eta vs tors. theta energy: -15.312 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: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1356.526870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.526870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.526870 (E_RNA) where: Base-Base interactions energy: -947.939 where: short stacking energy: -397.496 Base-Backbone interact. energy: -0.696 local terms energy: -407.892274 where: bonds (distance) C4'-P energy: -71.672 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -74.959 flat angles P-C4'-P energy: -66.209 tors. eta vs tors. theta energy: -112.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1265.853854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.853854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.853854 (E_RNA) where: Base-Base interactions energy: -901.550 where: short stacking energy: -365.249 Base-Backbone interact. energy: -1.945 local terms energy: -362.358514 where: bonds (distance) C4'-P energy: -68.609 bonds (distance) P-C4' energy: -68.567 flat angles C4'-P-C4' energy: -81.170 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: -93.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1226.003747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.003747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.003747 (E_RNA) where: Base-Base interactions energy: -882.811 where: short stacking energy: -356.545 Base-Backbone interact. energy: 0.422 local terms energy: -343.615543 where: bonds (distance) C4'-P energy: -49.695 bonds (distance) P-C4' energy: -66.260 flat angles C4'-P-C4' energy: -80.390 flat angles P-C4'-P energy: -53.092 tors. eta vs tors. theta energy: -94.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1092.426642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.426642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.426642 (E_RNA) where: Base-Base interactions energy: -775.213 where: short stacking energy: -319.922 Base-Backbone interact. energy: 1.596 local terms energy: -318.810061 where: bonds (distance) C4'-P energy: -58.071 bonds (distance) P-C4' energy: -67.506 flat angles C4'-P-C4' energy: -67.166 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -76.814 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: 8 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1094.470739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.470739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.470739 (E_RNA) where: Base-Base interactions energy: -773.943 where: short stacking energy: -307.656 Base-Backbone interact. energy: 0.742 local terms energy: -321.270103 where: bonds (distance) C4'-P energy: -64.029 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -71.583 flat angles P-C4'-P energy: -42.849 tors. eta vs tors. theta energy: -84.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1074.441806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.441806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.441806 (E_RNA) where: Base-Base interactions energy: -767.308 where: short stacking energy: -310.733 Base-Backbone interact. energy: -0.116 local terms energy: -307.017846 where: bonds (distance) C4'-P energy: -60.910 bonds (distance) P-C4' energy: -46.056 flat angles C4'-P-C4' energy: -79.655 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -76.705 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: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -972.054389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.054389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.054389 (E_RNA) where: Base-Base interactions energy: -659.489 where: short stacking energy: -287.386 Base-Backbone interact. energy: -1.274 local terms energy: -311.291565 where: bonds (distance) C4'-P energy: -54.776 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -66.693 flat angles P-C4'-P energy: -41.699 tors. eta vs tors. theta energy: -79.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -810.323193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.323193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.323193 (E_RNA) where: Base-Base interactions energy: -526.739 where: short stacking energy: -244.551 Base-Backbone interact. energy: -1.428 local terms energy: -282.156178 where: bonds (distance) C4'-P energy: -48.659 bonds (distance) P-C4' energy: -67.013 flat angles C4'-P-C4' energy: -65.269 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -57.691 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: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -690.555943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.555943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.555943 (E_RNA) where: Base-Base interactions energy: -459.877 where: short stacking energy: -219.757 Base-Backbone interact. energy: -1.045 local terms energy: -229.634470 where: bonds (distance) C4'-P energy: -50.260 bonds (distance) P-C4' energy: -47.636 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -24.541 tors. eta vs tors. theta energy: -49.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -502.455073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.455073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.455073 (E_RNA) where: Base-Base interactions energy: -295.023 where: short stacking energy: -146.357 Base-Backbone interact. energy: -2.246 local terms energy: -205.185539 where: bonds (distance) C4'-P energy: -52.535 bonds (distance) P-C4' energy: -54.606 flat angles C4'-P-C4' energy: -60.516 flat angles P-C4'-P energy: -22.087 tors. eta vs tors. theta energy: -15.442 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: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1353.076431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.076431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.076431 (E_RNA) where: Base-Base interactions energy: -979.679 where: short stacking energy: -406.825 Base-Backbone interact. energy: -1.133 local terms energy: -372.264742 where: bonds (distance) C4'-P energy: -67.888 bonds (distance) P-C4' energy: -62.842 flat angles C4'-P-C4' energy: -74.805 flat angles P-C4'-P energy: -57.179 tors. eta vs tors. theta energy: -109.550 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: 7 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1290.426605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.426605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.426605 (E_RNA) where: Base-Base interactions energy: -927.020 where: short stacking energy: -368.826 Base-Backbone interact. energy: -2.068 local terms energy: -361.338952 where: bonds (distance) C4'-P energy: -66.887 bonds (distance) P-C4' energy: -69.576 flat angles C4'-P-C4' energy: -73.774 flat angles P-C4'-P energy: -58.354 tors. eta vs tors. theta energy: -92.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1236.216557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.216557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.216557 (E_RNA) where: Base-Base interactions energy: -875.280 where: short stacking energy: -366.931 Base-Backbone interact. energy: 1.733 local terms energy: -362.669273 where: bonds (distance) C4'-P energy: -65.253 bonds (distance) P-C4' energy: -62.758 flat angles C4'-P-C4' energy: -75.303 flat angles P-C4'-P energy: -60.005 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: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1128.289800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.289800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.289800 (E_RNA) where: Base-Base interactions energy: -803.720 where: short stacking energy: -320.266 Base-Backbone interact. energy: 0.740 local terms energy: -325.309526 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -76.471 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: -75.544 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: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1085.529897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.529897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.529897 (E_RNA) where: Base-Base interactions energy: -775.199 where: short stacking energy: -344.411 Base-Backbone interact. energy: 1.526 local terms energy: -311.856793 where: bonds (distance) C4'-P energy: -60.356 bonds (distance) P-C4' energy: -48.899 flat angles C4'-P-C4' energy: -72.742 flat angles P-C4'-P energy: -45.926 tors. eta vs tors. theta energy: -83.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1068.607241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.607241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.607241 (E_RNA) where: Base-Base interactions energy: -768.455 where: short stacking energy: -289.259 Base-Backbone interact. energy: -0.207 local terms energy: -299.945312 where: bonds (distance) C4'-P energy: -56.749 bonds (distance) P-C4' energy: -66.335 flat angles C4'-P-C4' energy: -70.722 flat angles P-C4'-P energy: -43.148 tors. eta vs tors. theta energy: -62.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -909.949064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.949064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.949064 (E_RNA) where: Base-Base interactions energy: -627.489 where: short stacking energy: -266.389 Base-Backbone interact. energy: -1.018 local terms energy: -281.441492 where: bonds (distance) C4'-P energy: -55.330 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -61.200 flat angles P-C4'-P energy: -42.743 tors. eta vs tors. theta energy: -59.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -838.178841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.178841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.178841 (E_RNA) where: Base-Base interactions energy: -557.830 where: short stacking energy: -251.051 Base-Backbone interact. energy: -0.232 local terms energy: -280.116716 where: bonds (distance) C4'-P energy: -53.319 bonds (distance) P-C4' energy: -64.907 flat angles C4'-P-C4' energy: -62.102 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -58.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -677.132529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.132529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.132529 (E_RNA) where: Base-Base interactions energy: -401.220 where: short stacking energy: -170.119 Base-Backbone interact. energy: -1.102 local terms energy: -274.810189 where: bonds (distance) C4'-P energy: -60.330 bonds (distance) P-C4' energy: -66.098 flat angles C4'-P-C4' energy: -67.210 flat angles P-C4'-P energy: -49.178 tors. eta vs tors. theta energy: -31.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -471.934562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.934562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.934562 (E_RNA) where: Base-Base interactions energy: -262.680 where: short stacking energy: -139.218 Base-Backbone interact. energy: 2.048 local terms energy: -211.302483 where: bonds (distance) C4'-P energy: -55.351 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -58.356 flat angles P-C4'-P energy: -31.193 tors. eta vs tors. theta energy: -9.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1335.926252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.926252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.926252 (E_RNA) where: Base-Base interactions energy: -945.140 where: short stacking energy: -396.435 Base-Backbone interact. energy: -0.292 local terms energy: -390.494119 where: bonds (distance) C4'-P energy: -71.877 bonds (distance) P-C4' energy: -68.887 flat angles C4'-P-C4' energy: -77.911 flat angles P-C4'-P energy: -60.149 tors. eta vs tors. theta energy: -111.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1261.934819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.934819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.934819 (E_RNA) where: Base-Base interactions energy: -909.007 where: short stacking energy: -378.036 Base-Backbone interact. energy: -0.788 local terms energy: -352.140029 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -60.926 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -55.630 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: 3, replica: 9 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1237.507723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.507723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.507723 (E_RNA) where: Base-Base interactions energy: -867.116 where: short stacking energy: -369.590 Base-Backbone interact. energy: -1.573 local terms energy: -368.818738 where: bonds (distance) C4'-P energy: -61.350 bonds (distance) P-C4' energy: -69.041 flat angles C4'-P-C4' energy: -79.226 flat angles P-C4'-P energy: -55.276 tors. eta vs tors. theta energy: -103.926 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: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1149.317554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.317554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.317554 (E_RNA) where: Base-Base interactions energy: -827.926 where: short stacking energy: -336.189 Base-Backbone interact. energy: 1.542 local terms energy: -322.933561 where: bonds (distance) C4'-P energy: -58.316 bonds (distance) P-C4' energy: -66.690 flat angles C4'-P-C4' energy: -66.900 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -80.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1040.202251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.202251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.202251 (E_RNA) where: Base-Base interactions energy: -715.398 where: short stacking energy: -311.702 Base-Backbone interact. energy: 0.935 local terms energy: -325.739636 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -69.640 flat angles C4'-P-C4' energy: -71.188 flat angles P-C4'-P energy: -39.779 tors. eta vs tors. theta energy: -78.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1068.047767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.047767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.047767 (E_RNA) where: Base-Base interactions energy: -766.561 where: short stacking energy: -289.341 Base-Backbone interact. energy: -2.362 local terms energy: -299.125168 where: bonds (distance) C4'-P energy: -75.282 bonds (distance) P-C4' energy: -55.410 flat angles C4'-P-C4' energy: -64.690 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -57.816 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: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -964.240807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.240807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.240807 (E_RNA) where: Base-Base interactions energy: -658.297 where: short stacking energy: -281.496 Base-Backbone interact. energy: -0.478 local terms energy: -305.465799 where: bonds (distance) C4'-P energy: -58.596 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -61.432 flat angles P-C4'-P energy: -47.182 tors. eta vs tors. theta energy: -78.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -815.330735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.330735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.330735 (E_RNA) where: Base-Base interactions energy: -545.662 where: short stacking energy: -250.281 Base-Backbone interact. energy: 3.647 local terms energy: -273.316012 where: bonds (distance) C4'-P energy: -57.280 bonds (distance) P-C4' energy: -71.502 flat angles C4'-P-C4' energy: -51.884 flat angles P-C4'-P energy: -39.270 tors. eta vs tors. theta energy: -53.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -646.682970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.682970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.682970 (E_RNA) where: Base-Base interactions energy: -408.509 where: short stacking energy: -178.982 Base-Backbone interact. energy: -0.793 local terms energy: -237.380059 where: bonds (distance) C4'-P energy: -42.094 bonds (distance) P-C4' energy: -57.426 flat angles C4'-P-C4' energy: -60.985 flat angles P-C4'-P energy: -46.865 tors. eta vs tors. theta energy: -30.010 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: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -527.942666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.942666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.942666 (E_RNA) where: Base-Base interactions energy: -337.579 where: short stacking energy: -161.313 Base-Backbone interact. energy: 2.176 local terms energy: -192.539619 where: bonds (distance) C4'-P energy: -52.587 bonds (distance) P-C4' energy: -53.423 flat angles C4'-P-C4' energy: -51.087 flat angles P-C4'-P energy: -15.141 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: 341 Temperature: 0.900000 Total energy: -1352.929141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.929141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.929141 (E_RNA) where: Base-Base interactions energy: -952.557 where: short stacking energy: -390.011 Base-Backbone interact. energy: -1.120 local terms energy: -399.252309 where: bonds (distance) C4'-P energy: -77.676 bonds (distance) P-C4' energy: -70.455 flat angles C4'-P-C4' energy: -72.893 flat angles P-C4'-P energy: -61.375 tors. eta vs tors. theta energy: -116.853 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: 7 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1267.759088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.759088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.759088 (E_RNA) where: Base-Base interactions energy: -905.391 where: short stacking energy: -358.799 Base-Backbone interact. energy: -1.541 local terms energy: -360.826853 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -74.188 flat angles C4'-P-C4' energy: -80.772 flat angles P-C4'-P energy: -43.364 tors. eta vs tors. theta energy: -91.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1259.157203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.157203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.157203 (E_RNA) where: Base-Base interactions energy: -901.353 where: short stacking energy: -394.061 Base-Backbone interact. energy: -0.099 local terms energy: -357.704887 where: bonds (distance) C4'-P energy: -59.287 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -74.386 flat angles P-C4'-P energy: -52.903 tors. eta vs tors. theta energy: -110.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1151.946367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.946367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.946367 (E_RNA) where: Base-Base interactions energy: -813.641 where: short stacking energy: -345.190 Base-Backbone interact. energy: -1.490 local terms energy: -336.814739 where: bonds (distance) C4'-P energy: -62.462 bonds (distance) P-C4' energy: -63.751 flat angles C4'-P-C4' energy: -77.294 flat angles P-C4'-P energy: -42.821 tors. eta vs tors. theta energy: -90.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1092.318975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.318975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.318975 (E_RNA) where: Base-Base interactions energy: -766.507 where: short stacking energy: -308.153 Base-Backbone interact. energy: -0.784 local terms energy: -325.027982 where: bonds (distance) C4'-P energy: -69.141 bonds (distance) P-C4' energy: -58.680 flat angles C4'-P-C4' energy: -76.282 flat angles P-C4'-P energy: -46.928 tors. eta vs tors. theta energy: -73.998 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: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1079.144540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.144540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.144540 (E_RNA) where: Base-Base interactions energy: -766.304 where: short stacking energy: -298.342 Base-Backbone interact. energy: 3.117 local terms energy: -315.957631 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -68.325 flat angles C4'-P-C4' energy: -73.198 flat angles P-C4'-P energy: -53.473 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: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -941.056563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.056563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.056563 (E_RNA) where: Base-Base interactions energy: -651.951 where: short stacking energy: -291.395 Base-Backbone interact. energy: 0.333 local terms energy: -289.439073 where: bonds (distance) C4'-P energy: -59.853 bonds (distance) P-C4' energy: -59.092 flat angles C4'-P-C4' energy: -60.234 flat angles P-C4'-P energy: -34.410 tors. eta vs tors. theta energy: -75.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -821.531029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.531029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.531029 (E_RNA) where: Base-Base interactions energy: -549.169 where: short stacking energy: -227.769 Base-Backbone interact. energy: -2.784 local terms energy: -269.578289 where: bonds (distance) C4'-P energy: -54.770 bonds (distance) P-C4' energy: -66.863 flat angles C4'-P-C4' energy: -59.627 flat angles P-C4'-P energy: -38.330 tors. eta vs tors. theta energy: -49.988 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: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -595.177066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.177066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.177066 (E_RNA) where: Base-Base interactions energy: -354.197 where: short stacking energy: -179.091 Base-Backbone interact. energy: 0.178 local terms energy: -241.158398 where: bonds (distance) C4'-P energy: -64.918 bonds (distance) P-C4' energy: -52.303 flat angles C4'-P-C4' energy: -54.624 flat angles P-C4'-P energy: -39.948 tors. eta vs tors. theta energy: -29.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -482.632505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.632505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.632505 (E_RNA) where: Base-Base interactions energy: -284.036 where: short stacking energy: -131.978 Base-Backbone interact. energy: -2.028 local terms energy: -196.569105 where: bonds (distance) C4'-P energy: -58.358 bonds (distance) P-C4' energy: -60.245 flat angles C4'-P-C4' energy: -47.989 flat angles P-C4'-P energy: -24.564 tors. eta vs tors. theta energy: -5.412 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: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1349.460399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.460399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.460399 (E_RNA) where: Base-Base interactions energy: -962.965 where: short stacking energy: -394.197 Base-Backbone interact. energy: -1.641 local terms energy: -384.854262 where: bonds (distance) C4'-P energy: -65.229 bonds (distance) P-C4' energy: -61.892 flat angles C4'-P-C4' energy: -81.159 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -114.388 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: 7 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1260.385727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.385727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.385727 (E_RNA) where: Base-Base interactions energy: -899.634 where: short stacking energy: -362.623 Base-Backbone interact. energy: -1.778 local terms energy: -358.974241 where: bonds (distance) C4'-P energy: -73.890 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -69.802 flat angles P-C4'-P energy: -48.453 tors. eta vs tors. theta energy: -99.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1243.194851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.194851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.194851 (E_RNA) where: Base-Base interactions energy: -880.019 where: short stacking energy: -368.558 Base-Backbone interact. energy: -0.640 local terms energy: -362.536366 where: bonds (distance) C4'-P energy: -56.729 bonds (distance) P-C4' energy: -70.587 flat angles C4'-P-C4' energy: -72.065 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: -112.997 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: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1126.283782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.283782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.283782 (E_RNA) where: Base-Base interactions energy: -792.118 where: short stacking energy: -338.591 Base-Backbone interact. energy: 1.285 local terms energy: -335.450153 where: bonds (distance) C4'-P energy: -58.062 bonds (distance) P-C4' energy: -63.457 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -45.606 tors. eta vs tors. theta energy: -91.420 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: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1114.119597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.119597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.119597 (E_RNA) where: Base-Base interactions energy: -800.926 where: short stacking energy: -318.395 Base-Backbone interact. energy: 1.641 local terms energy: -314.834660 where: bonds (distance) C4'-P energy: -57.266 bonds (distance) P-C4' energy: -61.367 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -75.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1078.524533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.524533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.524533 (E_RNA) where: Base-Base interactions energy: -761.106 where: short stacking energy: -329.546 Base-Backbone interact. energy: -0.194 local terms energy: -317.224350 where: bonds (distance) C4'-P energy: -62.879 bonds (distance) P-C4' energy: -60.018 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -39.307 tors. eta vs tors. theta energy: -80.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -936.170472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.170472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.170472 (E_RNA) where: Base-Base interactions energy: -634.267 where: short stacking energy: -264.126 Base-Backbone interact. energy: 0.094 local terms energy: -301.997321 where: bonds (distance) C4'-P energy: -55.298 bonds (distance) P-C4' energy: -67.141 flat angles C4'-P-C4' energy: -62.681 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -62.744 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: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -871.671174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.671174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.671174 (E_RNA) where: Base-Base interactions energy: -593.782 where: short stacking energy: -233.743 Base-Backbone interact. energy: -1.842 local terms energy: -276.047317 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -60.846 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -28.970 tors. eta vs tors. theta energy: -52.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -601.960898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.960898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.960898 (E_RNA) where: Base-Base interactions energy: -383.288 where: short stacking energy: -173.146 Base-Backbone interact. energy: -0.184 local terms energy: -218.488334 where: bonds (distance) C4'-P energy: -56.246 bonds (distance) P-C4' energy: -46.088 flat angles C4'-P-C4' energy: -61.860 flat angles P-C4'-P energy: -31.960 tors. eta vs tors. theta energy: -22.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -410.919708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.919708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.919708 (E_RNA) where: Base-Base interactions energy: -223.073 where: short stacking energy: -115.937 Base-Backbone interact. energy: 2.590 local terms energy: -190.436407 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -59.646 flat angles C4'-P-C4' energy: -54.587 flat angles P-C4'-P energy: -22.613 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1333.188981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.188981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.188981 (E_RNA) where: Base-Base interactions energy: -940.401 where: short stacking energy: -392.435 Base-Backbone interact. energy: 0.836 local terms energy: -393.624158 where: bonds (distance) C4'-P energy: -67.645 bonds (distance) P-C4' energy: -82.510 flat angles C4'-P-C4' energy: -80.437 flat angles P-C4'-P energy: -53.302 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: 2, replica: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1274.260157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.260157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.260157 (E_RNA) where: Base-Base interactions energy: -904.037 where: short stacking energy: -379.714 Base-Backbone interact. energy: 0.032 local terms energy: -370.254736 where: bonds (distance) C4'-P energy: -53.433 bonds (distance) P-C4' energy: -80.243 flat angles C4'-P-C4' energy: -77.178 flat angles P-C4'-P energy: -46.879 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: 3, replica: 7 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1215.050443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.050443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.050443 (E_RNA) where: Base-Base interactions energy: -870.449 where: short stacking energy: -347.622 Base-Backbone interact. energy: -2.260 local terms energy: -342.341677 where: bonds (distance) C4'-P energy: -55.423 bonds (distance) P-C4' energy: -77.417 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -44.890 tors. eta vs tors. theta energy: -90.336 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: 343 Temperature: 1.050000 Total energy: -1139.629086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.629086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.629086 (E_RNA) where: Base-Base interactions energy: -823.805 where: short stacking energy: -312.927 Base-Backbone interact. energy: -1.011 local terms energy: -314.812570 where: bonds (distance) C4'-P energy: -58.401 bonds (distance) P-C4' energy: -65.463 flat angles C4'-P-C4' energy: -77.693 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -69.899 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: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1099.665368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.665368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.665368 (E_RNA) where: Base-Base interactions energy: -780.787 where: short stacking energy: -334.432 Base-Backbone interact. energy: -0.941 local terms energy: -317.936974 where: bonds (distance) C4'-P energy: -63.577 bonds (distance) P-C4' energy: -65.220 flat angles C4'-P-C4' energy: -67.977 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -82.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1090.129519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.129519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.129519 (E_RNA) where: Base-Base interactions energy: -777.288 where: short stacking energy: -328.402 Base-Backbone interact. energy: 6.425 local terms energy: -319.266754 where: bonds (distance) C4'-P energy: -58.634 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -76.578 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -940.607095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.607095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.607095 (E_RNA) where: Base-Base interactions energy: -633.920 where: short stacking energy: -263.131 Base-Backbone interact. energy: 1.031 local terms energy: -307.717591 where: bonds (distance) C4'-P energy: -53.358 bonds (distance) P-C4' energy: -80.734 flat angles C4'-P-C4' energy: -56.543 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -72.208 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: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -838.008037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.008037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.008037 (E_RNA) where: Base-Base interactions energy: -550.949 where: short stacking energy: -256.499 Base-Backbone interact. energy: -1.003 local terms energy: -286.056157 where: bonds (distance) C4'-P energy: -59.489 bonds (distance) P-C4' energy: -47.396 flat angles C4'-P-C4' energy: -67.081 flat angles P-C4'-P energy: -46.062 tors. eta vs tors. theta energy: -66.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -564.341850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.341850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.341850 (E_RNA) where: Base-Base interactions energy: -350.937 where: short stacking energy: -149.543 Base-Backbone interact. energy: -1.736 local terms energy: -211.669090 where: bonds (distance) C4'-P energy: -49.315 bonds (distance) P-C4' energy: -58.977 flat angles C4'-P-C4' energy: -59.319 flat angles P-C4'-P energy: -33.353 tors. eta vs tors. theta energy: -10.704 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: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -467.306846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.306846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.306846 (E_RNA) where: Base-Base interactions energy: -250.800 where: short stacking energy: -146.341 Base-Backbone interact. energy: 1.244 local terms energy: -217.751132 where: bonds (distance) C4'-P energy: -63.410 bonds (distance) P-C4' energy: -55.369 flat angles C4'-P-C4' energy: -51.304 flat angles P-C4'-P energy: -35.365 tors. eta vs tors. theta energy: -12.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1282.102556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.102556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.102556 (E_RNA) where: Base-Base interactions energy: -900.362 where: short stacking energy: -377.514 Base-Backbone interact. energy: -0.058 local terms energy: -381.682689 where: bonds (distance) C4'-P energy: -64.353 bonds (distance) P-C4' energy: -72.809 flat angles C4'-P-C4' energy: -81.201 flat angles P-C4'-P energy: -56.142 tors. eta vs tors. theta energy: -107.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1321.073294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.073294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.073294 (E_RNA) where: Base-Base interactions energy: -942.103 where: short stacking energy: -391.752 Base-Backbone interact. energy: -0.875 local terms energy: -378.096146 where: bonds (distance) C4'-P energy: -67.783 bonds (distance) P-C4' energy: -69.566 flat angles C4'-P-C4' energy: -80.305 flat angles P-C4'-P energy: -48.234 tors. eta vs tors. theta energy: -112.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1224.017722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.017722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.017722 (E_RNA) where: Base-Base interactions energy: -878.512 where: short stacking energy: -348.832 Base-Backbone interact. energy: -0.601 local terms energy: -344.904643 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -79.366 flat angles P-C4'-P energy: -50.350 tors. eta vs tors. theta energy: -91.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1155.276222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.276222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.276222 (E_RNA) where: Base-Base interactions energy: -830.517 where: short stacking energy: -308.614 Base-Backbone interact. energy: -2.382 local terms energy: -322.377236 where: bonds (distance) C4'-P energy: -69.728 bonds (distance) P-C4' energy: -61.274 flat angles C4'-P-C4' energy: -68.672 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -74.837 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: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1122.056806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.056806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.056806 (E_RNA) where: Base-Base interactions energy: -787.071 where: short stacking energy: -341.786 Base-Backbone interact. energy: -0.395 local terms energy: -334.590759 where: bonds (distance) C4'-P energy: -60.022 bonds (distance) P-C4' energy: -73.500 flat angles C4'-P-C4' energy: -66.474 flat angles P-C4'-P energy: -49.194 tors. eta vs tors. theta energy: -85.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1031.549027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.549027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.549027 (E_RNA) where: Base-Base interactions energy: -732.206 where: short stacking energy: -294.623 Base-Backbone interact. energy: -2.531 local terms energy: -296.811929 where: bonds (distance) C4'-P energy: -49.436 bonds (distance) P-C4' energy: -61.958 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -41.007 tors. eta vs tors. theta energy: -68.131 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: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -912.188516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.188516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.188516 (E_RNA) where: Base-Base interactions energy: -605.575 where: short stacking energy: -263.627 Base-Backbone interact. energy: -0.523 local terms energy: -306.090695 where: bonds (distance) C4'-P energy: -70.784 bonds (distance) P-C4' energy: -53.729 flat angles C4'-P-C4' energy: -72.022 flat angles P-C4'-P energy: -40.017 tors. eta vs tors. theta energy: -69.538 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: 8, replica: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -860.086037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.086037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.086037 (E_RNA) where: Base-Base interactions energy: -595.920 where: short stacking energy: -259.327 Base-Backbone interact. energy: -0.859 local terms energy: -263.307471 where: bonds (distance) C4'-P energy: -63.649 bonds (distance) P-C4' energy: -57.380 flat angles C4'-P-C4' energy: -64.017 flat angles P-C4'-P energy: -36.430 tors. eta vs tors. theta energy: -41.831 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: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -608.944282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.944282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.944282 (E_RNA) where: Base-Base interactions energy: -380.850 where: short stacking energy: -178.948 Base-Backbone interact. energy: 0.353 local terms energy: -228.446934 where: bonds (distance) C4'-P energy: -56.759 bonds (distance) P-C4' energy: -62.949 flat angles C4'-P-C4' energy: -41.521 flat angles P-C4'-P energy: -34.823 tors. eta vs tors. theta energy: -32.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -470.233359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.233359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.233359 (E_RNA) where: Base-Base interactions energy: -271.733 where: short stacking energy: -136.607 Base-Backbone interact. energy: -2.333 local terms energy: -196.167653 where: bonds (distance) C4'-P energy: -50.069 bonds (distance) P-C4' energy: -53.548 flat angles C4'-P-C4' energy: -47.645 flat angles P-C4'-P energy: -34.497 tors. eta vs tors. theta energy: -10.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1290.489071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.489071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.489071 (E_RNA) where: Base-Base interactions energy: -919.574 where: short stacking energy: -394.098 Base-Backbone interact. energy: -0.439 local terms energy: -370.475971 where: bonds (distance) C4'-P energy: -72.753 bonds (distance) P-C4' energy: -64.201 flat angles C4'-P-C4' energy: -72.868 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -107.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1343.221332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.221332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.221332 (E_RNA) where: Base-Base interactions energy: -963.972 where: short stacking energy: -394.701 Base-Backbone interact. energy: -0.894 local terms energy: -378.354950 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -74.757 flat angles C4'-P-C4' energy: -82.906 flat angles P-C4'-P energy: -40.231 tors. eta vs tors. theta energy: -113.659 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: 3, replica: 7 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1231.137561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.137561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.137561 (E_RNA) where: Base-Base interactions energy: -883.107 where: short stacking energy: -358.672 Base-Backbone interact. energy: -0.766 local terms energy: -347.264318 where: bonds (distance) C4'-P energy: -69.936 bonds (distance) P-C4' energy: -65.757 flat angles C4'-P-C4' energy: -77.989 flat angles P-C4'-P energy: -42.516 tors. eta vs tors. theta energy: -91.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1154.071979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.071979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.071979 (E_RNA) where: Base-Base interactions energy: -830.720 where: short stacking energy: -315.782 Base-Backbone interact. energy: -0.157 local terms energy: -323.194558 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -63.346 flat angles C4'-P-C4' energy: -70.602 flat angles P-C4'-P energy: -54.617 tors. eta vs tors. theta energy: -79.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1095.598970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.598970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.598970 (E_RNA) where: Base-Base interactions energy: -771.780 where: short stacking energy: -326.481 Base-Backbone interact. energy: -2.501 local terms energy: -321.318040 where: bonds (distance) C4'-P energy: -62.806 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -63.258 flat angles P-C4'-P energy: -50.227 tors. eta vs tors. theta energy: -84.503 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: 345 Temperature: 1.150000 Total energy: -1068.865020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.865020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.865020 (E_RNA) where: Base-Base interactions energy: -741.477 where: short stacking energy: -309.327 Base-Backbone interact. energy: 0.141 local terms energy: -327.529843 where: bonds (distance) C4'-P energy: -53.662 bonds (distance) P-C4' energy: -62.493 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -53.043 tors. eta vs tors. theta energy: -83.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -945.241081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.241081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.241081 (E_RNA) where: Base-Base interactions energy: -640.440 where: short stacking energy: -293.624 Base-Backbone interact. energy: 0.086 local terms energy: -304.887078 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -63.159 flat angles C4'-P-C4' energy: -68.801 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -68.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -893.954983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.954983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.954983 (E_RNA) where: Base-Base interactions energy: -592.625 where: short stacking energy: -286.974 Base-Backbone interact. energy: -2.106 local terms energy: -299.224397 where: bonds (distance) C4'-P energy: -48.975 bonds (distance) P-C4' energy: -64.489 flat angles C4'-P-C4' energy: -66.407 flat angles P-C4'-P energy: -52.520 tors. eta vs tors. theta energy: -66.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -574.573465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.573465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.573465 (E_RNA) where: Base-Base interactions energy: -334.820 where: short stacking energy: -165.464 Base-Backbone interact. energy: -2.014 local terms energy: -237.738980 where: bonds (distance) C4'-P energy: -55.593 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -62.156 flat angles P-C4'-P energy: -22.410 tors. eta vs tors. theta energy: -37.028 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: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -402.443096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.443096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.443096 (E_RNA) where: Base-Base interactions energy: -206.959 where: short stacking energy: -107.491 Base-Backbone interact. energy: 1.981 local terms energy: -197.464658 where: bonds (distance) C4'-P energy: -52.183 bonds (distance) P-C4' energy: -66.797 flat angles C4'-P-C4' energy: -41.707 flat angles P-C4'-P energy: -32.983 tors. eta vs tors. theta energy: -3.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1296.879085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.879085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.879085 (E_RNA) where: Base-Base interactions energy: -912.948 where: short stacking energy: -397.534 Base-Backbone interact. energy: -0.125 local terms energy: -383.806422 where: bonds (distance) C4'-P energy: -72.861 bonds (distance) P-C4' energy: -64.011 flat angles C4'-P-C4' energy: -83.957 flat angles P-C4'-P energy: -51.925 tors. eta vs tors. theta energy: -111.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1323.975932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.975932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.975932 (E_RNA) where: Base-Base interactions energy: -941.182 where: short stacking energy: -387.608 Base-Backbone interact. energy: 0.552 local terms energy: -383.345994 where: bonds (distance) C4'-P energy: -65.814 bonds (distance) P-C4' energy: -69.048 flat angles C4'-P-C4' energy: -73.311 flat angles P-C4'-P energy: -55.373 tors. eta vs tors. theta energy: -119.800 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: 7 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1265.747329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.747329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.747329 (E_RNA) where: Base-Base interactions energy: -891.824 where: short stacking energy: -363.515 Base-Backbone interact. energy: -2.237 local terms energy: -371.686009 where: bonds (distance) C4'-P energy: -70.332 bonds (distance) P-C4' energy: -63.289 flat angles C4'-P-C4' energy: -83.104 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -102.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1187.359244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.359244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.359244 (E_RNA) where: Base-Base interactions energy: -847.090 where: short stacking energy: -317.891 Base-Backbone interact. energy: -1.217 local terms energy: -339.052045 where: bonds (distance) C4'-P energy: -66.356 bonds (distance) P-C4' energy: -77.445 flat angles C4'-P-C4' energy: -70.590 flat angles P-C4'-P energy: -52.107 tors. eta vs tors. theta energy: -72.554 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: 5 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1102.730041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.730041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.730041 (E_RNA) where: Base-Base interactions energy: -782.159 where: short stacking energy: -312.007 Base-Backbone interact. energy: -1.181 local terms energy: -319.390543 where: bonds (distance) C4'-P energy: -58.041 bonds (distance) P-C4' energy: -66.617 flat angles C4'-P-C4' energy: -55.835 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -83.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1022.795281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.795281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.795281 (E_RNA) where: Base-Base interactions energy: -712.477 where: short stacking energy: -305.052 Base-Backbone interact. energy: -1.331 local terms energy: -308.987062 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -53.559 flat angles C4'-P-C4' energy: -72.800 flat angles P-C4'-P energy: -49.487 tors. eta vs tors. theta energy: -75.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -923.202768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.202768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.202768 (E_RNA) where: Base-Base interactions energy: -629.716 where: short stacking energy: -294.473 Base-Backbone interact. energy: -1.125 local terms energy: -292.362211 where: bonds (distance) C4'-P energy: -44.227 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -72.223 flat angles P-C4'-P energy: -39.153 tors. eta vs tors. theta energy: -75.370 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: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -861.248795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.248795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.248795 (E_RNA) where: Base-Base interactions energy: -594.566 where: short stacking energy: -241.140 Base-Backbone interact. energy: -1.378 local terms energy: -265.304795 where: bonds (distance) C4'-P energy: -48.341 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -66.003 flat angles P-C4'-P energy: -33.531 tors. eta vs tors. theta energy: -56.256 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: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -605.659846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.659846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.659846 (E_RNA) where: Base-Base interactions energy: -342.525 where: short stacking energy: -157.611 Base-Backbone interact. energy: -1.267 local terms energy: -261.868571 where: bonds (distance) C4'-P energy: -65.492 bonds (distance) P-C4' energy: -74.369 flat angles C4'-P-C4' energy: -44.100 flat angles P-C4'-P energy: -38.184 tors. eta vs tors. theta energy: -39.725 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: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -451.262765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.262765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.262765 (E_RNA) where: Base-Base interactions energy: -261.598 where: short stacking energy: -141.147 Base-Backbone interact. energy: -1.388 local terms energy: -188.276928 where: bonds (distance) C4'-P energy: -49.965 bonds (distance) P-C4' energy: -66.771 flat angles C4'-P-C4' energy: -47.044 flat angles P-C4'-P energy: -27.285 tors. eta vs tors. theta energy: 2.788 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: 347 Temperature: 0.900000 Total energy: -1296.069086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.069086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.069086 (E_RNA) where: Base-Base interactions energy: -910.686 where: short stacking energy: -389.816 Base-Backbone interact. energy: -0.578 local terms energy: -384.805214 where: bonds (distance) C4'-P energy: -69.048 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -83.053 flat angles P-C4'-P energy: -56.260 tors. eta vs tors. theta energy: -110.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1343.397113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.397113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.397113 (E_RNA) where: Base-Base interactions energy: -961.503 where: short stacking energy: -398.077 Base-Backbone interact. energy: -0.283 local terms energy: -381.611283 where: bonds (distance) C4'-P energy: -63.454 bonds (distance) P-C4' energy: -65.381 flat angles C4'-P-C4' energy: -76.033 flat angles P-C4'-P energy: -58.963 tors. eta vs tors. theta energy: -117.780 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: 7 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1261.226613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.226613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.226613 (E_RNA) where: Base-Base interactions energy: -911.945 where: short stacking energy: -341.452 Base-Backbone interact. energy: 0.359 local terms energy: -349.640288 where: bonds (distance) C4'-P energy: -70.332 bonds (distance) P-C4' energy: -59.848 flat angles C4'-P-C4' energy: -70.772 flat angles P-C4'-P energy: -60.029 tors. eta vs tors. theta energy: -88.660 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: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1168.669856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.669856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.669856 (E_RNA) where: Base-Base interactions energy: -860.721 where: short stacking energy: -336.952 Base-Backbone interact. energy: 0.683 local terms energy: -308.632006 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -60.653 flat angles C4'-P-C4' energy: -76.740 flat angles P-C4'-P energy: -39.723 tors. eta vs tors. theta energy: -72.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1111.294221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.294221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.294221 (E_RNA) where: Base-Base interactions energy: -779.315 where: short stacking energy: -330.289 Base-Backbone interact. energy: 0.437 local terms energy: -332.415581 where: bonds (distance) C4'-P energy: -54.487 bonds (distance) P-C4' energy: -72.703 flat angles C4'-P-C4' energy: -72.299 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -88.876 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: 347 Temperature: 1.150000 Total energy: -1028.818045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.818045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.818045 (E_RNA) where: Base-Base interactions energy: -713.705 where: short stacking energy: -313.285 Base-Backbone interact. energy: 4.571 local terms energy: -319.683912 where: bonds (distance) C4'-P energy: -63.683 bonds (distance) P-C4' energy: -66.445 flat angles C4'-P-C4' energy: -64.790 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -79.902 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: 3 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -892.325135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.325135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.325135 (E_RNA) where: Base-Base interactions energy: -582.339 where: short stacking energy: -270.113 Base-Backbone interact. energy: 0.976 local terms energy: -310.962039 where: bonds (distance) C4'-P energy: -59.892 bonds (distance) P-C4' energy: -61.351 flat angles C4'-P-C4' energy: -73.146 flat angles P-C4'-P energy: -44.203 tors. eta vs tors. theta energy: -72.370 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: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -880.334256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.334256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.334256 (E_RNA) where: Base-Base interactions energy: -603.205 where: short stacking energy: -250.186 Base-Backbone interact. energy: 0.667 local terms energy: -277.795783 where: bonds (distance) C4'-P energy: -49.855 bonds (distance) P-C4' energy: -61.132 flat angles C4'-P-C4' energy: -56.296 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -57.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -582.516834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.516834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.516834 (E_RNA) where: Base-Base interactions energy: -349.381 where: short stacking energy: -179.250 Base-Backbone interact. energy: -0.183 local terms energy: -232.953030 where: bonds (distance) C4'-P energy: -55.597 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -55.975 flat angles P-C4'-P energy: -30.835 tors. eta vs tors. theta energy: -23.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -464.133060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.133060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.133060 (E_RNA) where: Base-Base interactions energy: -249.846 where: short stacking energy: -118.905 Base-Backbone interact. energy: -1.222 local terms energy: -213.065255 where: bonds (distance) C4'-P energy: -57.635 bonds (distance) P-C4' energy: -51.555 flat angles C4'-P-C4' energy: -58.248 flat angles P-C4'-P energy: -37.243 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1348.929787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.929787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.929787 (E_RNA) where: Base-Base interactions energy: -970.688 where: short stacking energy: -398.300 Base-Backbone interact. energy: -0.831 local terms energy: -377.410942 where: bonds (distance) C4'-P energy: -67.827 bonds (distance) P-C4' energy: -56.291 flat angles C4'-P-C4' energy: -74.370 flat angles P-C4'-P energy: -57.823 tors. eta vs tors. theta energy: -121.100 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: 2, replica: 9 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1283.757290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.757290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.757290 (E_RNA) where: Base-Base interactions energy: -899.801 where: short stacking energy: -400.443 Base-Backbone interact. energy: -0.908 local terms energy: -383.048061 where: bonds (distance) C4'-P energy: -69.831 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -56.130 tors. eta vs tors. theta energy: -111.067 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: 7 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1223.230862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.230862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.230862 (E_RNA) where: Base-Base interactions energy: -893.648 where: short stacking energy: -342.817 Base-Backbone interact. energy: -1.234 local terms energy: -328.348354 where: bonds (distance) C4'-P energy: -59.702 bonds (distance) P-C4' energy: -63.233 flat angles C4'-P-C4' energy: -77.271 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -83.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1172.423575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.423575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.423575 (E_RNA) where: Base-Base interactions energy: -844.286 where: short stacking energy: -324.297 Base-Backbone interact. energy: 3.186 local terms energy: -331.323088 where: bonds (distance) C4'-P energy: -53.538 bonds (distance) P-C4' energy: -70.299 flat angles C4'-P-C4' energy: -78.796 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -75.181 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: 5 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1108.116960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.116960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.116960 (E_RNA) where: Base-Base interactions energy: -775.588 where: short stacking energy: -327.251 Base-Backbone interact. energy: 2.541 local terms energy: -335.069611 where: bonds (distance) C4'-P energy: -67.482 bonds (distance) P-C4' energy: -65.974 flat angles C4'-P-C4' energy: -67.666 flat angles P-C4'-P energy: -44.826 tors. eta vs tors. theta energy: -89.122 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: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1054.664352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.664352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.664352 (E_RNA) where: Base-Base interactions energy: -748.715 where: short stacking energy: -314.425 Base-Backbone interact. energy: -1.687 local terms energy: -304.263206 where: bonds (distance) C4'-P energy: -56.577 bonds (distance) P-C4' energy: -66.871 flat angles C4'-P-C4' energy: -63.988 flat angles P-C4'-P energy: -41.081 tors. eta vs tors. theta energy: -75.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -915.900502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.900502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.900502 (E_RNA) where: Base-Base interactions energy: -630.406 where: short stacking energy: -290.998 Base-Backbone interact. energy: 1.401 local terms energy: -286.895938 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -49.293 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -39.420 tors. eta vs tors. theta energy: -73.318 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: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -889.454578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.454578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.454578 (E_RNA) where: Base-Base interactions energy: -589.853 where: short stacking energy: -253.550 Base-Backbone interact. energy: -0.916 local terms energy: -298.685916 where: bonds (distance) C4'-P energy: -64.660 bonds (distance) P-C4' energy: -64.451 flat angles C4'-P-C4' energy: -64.000 flat angles P-C4'-P energy: -37.971 tors. eta vs tors. theta energy: -67.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -601.316658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.316658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.316658 (E_RNA) where: Base-Base interactions energy: -344.361 where: short stacking energy: -172.945 Base-Backbone interact. energy: 0.954 local terms energy: -257.909367 where: bonds (distance) C4'-P energy: -55.008 bonds (distance) P-C4' energy: -68.281 flat angles C4'-P-C4' energy: -56.906 flat angles P-C4'-P energy: -41.861 tors. eta vs tors. theta energy: -35.853 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: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -529.008711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.008711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.008711 (E_RNA) where: Base-Base interactions energy: -314.556 where: short stacking energy: -165.145 Base-Backbone interact. energy: -1.061 local terms energy: -213.391396 where: bonds (distance) C4'-P energy: -50.396 bonds (distance) P-C4' energy: -49.928 flat angles C4'-P-C4' energy: -49.585 flat angles P-C4'-P energy: -41.128 tors. eta vs tors. theta energy: -22.355 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: 4 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1346.393085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.393085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.393085 (E_RNA) where: Base-Base interactions energy: -946.540 where: short stacking energy: -386.574 Base-Backbone interact. energy: -0.930 local terms energy: -398.922826 where: bonds (distance) C4'-P energy: -69.656 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -77.207 flat angles P-C4'-P energy: -58.991 tors. eta vs tors. theta energy: -118.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1268.022150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.022150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.022150 (E_RNA) where: Base-Base interactions energy: -881.431 where: short stacking energy: -372.969 Base-Backbone interact. energy: -0.275 local terms energy: -386.316294 where: bonds (distance) C4'-P energy: -72.955 bonds (distance) P-C4' energy: -77.868 flat angles C4'-P-C4' energy: -73.376 flat angles P-C4'-P energy: -52.930 tors. eta vs tors. theta energy: -109.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1259.174832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.174832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.174832 (E_RNA) where: Base-Base interactions energy: -907.747 where: short stacking energy: -360.753 Base-Backbone interact. energy: 0.040 local terms energy: -351.467700 where: bonds (distance) C4'-P energy: -64.861 bonds (distance) P-C4' energy: -72.635 flat angles C4'-P-C4' energy: -77.950 flat angles P-C4'-P energy: -47.931 tors. eta vs tors. theta energy: -88.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1168.489508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.489508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.489508 (E_RNA) where: Base-Base interactions energy: -838.255 where: short stacking energy: -322.239 Base-Backbone interact. energy: 1.889 local terms energy: -332.123241 where: bonds (distance) C4'-P energy: -61.218 bonds (distance) P-C4' energy: -74.070 flat angles C4'-P-C4' energy: -71.857 flat angles P-C4'-P energy: -50.562 tors. eta vs tors. theta energy: -74.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1122.304409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.304409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.304409 (E_RNA) where: Base-Base interactions energy: -794.986 where: short stacking energy: -338.151 Base-Backbone interact. energy: -0.265 local terms energy: -327.052858 where: bonds (distance) C4'-P energy: -55.846 bonds (distance) P-C4' energy: -59.730 flat angles C4'-P-C4' energy: -71.724 flat angles P-C4'-P energy: -53.775 tors. eta vs tors. theta energy: -85.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1058.813682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.813682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.813682 (E_RNA) where: Base-Base interactions energy: -739.306 where: short stacking energy: -330.999 Base-Backbone interact. energy: -0.088 local terms energy: -319.419823 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -61.933 flat angles C4'-P-C4' energy: -64.957 flat angles P-C4'-P energy: -48.574 tors. eta vs tors. theta energy: -82.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -922.629571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.629571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.629571 (E_RNA) where: Base-Base interactions energy: -615.067 where: short stacking energy: -271.565 Base-Backbone interact. energy: -1.572 local terms energy: -305.990460 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -65.686 flat angles C4'-P-C4' energy: -74.812 flat angles P-C4'-P energy: -39.760 tors. eta vs tors. theta energy: -63.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -876.875822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.875822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.875822 (E_RNA) where: Base-Base interactions energy: -588.642 where: short stacking energy: -269.787 Base-Backbone interact. energy: 1.285 local terms energy: -289.518497 where: bonds (distance) C4'-P energy: -59.185 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -61.977 flat angles P-C4'-P energy: -32.976 tors. eta vs tors. theta energy: -64.049 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: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -579.919744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.919744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.919744 (E_RNA) where: Base-Base interactions energy: -318.489 where: short stacking energy: -170.960 Base-Backbone interact. energy: -3.175 local terms energy: -258.255551 where: bonds (distance) C4'-P energy: -62.905 bonds (distance) P-C4' energy: -59.670 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -35.736 tors. eta vs tors. theta energy: -31.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -509.465806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.465806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.465806 (E_RNA) where: Base-Base interactions energy: -299.385 where: short stacking energy: -137.030 Base-Backbone interact. energy: -1.277 local terms energy: -208.803194 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -42.202 flat angles C4'-P-C4' energy: -61.680 flat angles P-C4'-P energy: -38.058 tors. eta vs tors. theta energy: -14.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1363.134710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.134710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.134710 (E_RNA) where: Base-Base interactions energy: -971.819 where: short stacking energy: -408.030 Base-Backbone interact. energy: -0.920 local terms energy: -390.396085 where: bonds (distance) C4'-P energy: -70.191 bonds (distance) P-C4' energy: -69.735 flat angles C4'-P-C4' energy: -73.074 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -118.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1257.787501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.787501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.787501 (E_RNA) where: Base-Base interactions energy: -895.644 where: short stacking energy: -367.584 Base-Backbone interact. energy: -2.568 local terms energy: -359.575192 where: bonds (distance) C4'-P energy: -66.872 bonds (distance) P-C4' energy: -74.073 flat angles C4'-P-C4' energy: -76.854 flat angles P-C4'-P energy: -43.927 tors. eta vs tors. theta energy: -97.850 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: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1271.534847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.534847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.534847 (E_RNA) where: Base-Base interactions energy: -923.162 where: short stacking energy: -363.660 Base-Backbone interact. energy: -2.119 local terms energy: -346.253989 where: bonds (distance) C4'-P energy: -62.400 bonds (distance) P-C4' energy: -61.443 flat angles C4'-P-C4' energy: -78.409 flat angles P-C4'-P energy: -49.590 tors. eta vs tors. theta energy: -94.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1175.283496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.283496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.283496 (E_RNA) where: Base-Base interactions energy: -841.505 where: short stacking energy: -330.999 Base-Backbone interact. energy: 5.066 local terms energy: -338.843915 where: bonds (distance) C4'-P energy: -59.196 bonds (distance) P-C4' energy: -73.167 flat angles C4'-P-C4' energy: -80.429 flat angles P-C4'-P energy: -47.795 tors. eta vs tors. theta energy: -78.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1153.761663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.761663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.761663 (E_RNA) where: Base-Base interactions energy: -809.854 where: short stacking energy: -339.716 Base-Backbone interact. energy: -1.294 local terms energy: -342.613754 where: bonds (distance) C4'-P energy: -68.573 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -47.025 tors. eta vs tors. theta energy: -90.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1034.482755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.482755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.482755 (E_RNA) where: Base-Base interactions energy: -712.815 where: short stacking energy: -304.737 Base-Backbone interact. energy: 0.804 local terms energy: -322.471339 where: bonds (distance) C4'-P energy: -65.144 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -74.784 flat angles P-C4'-P energy: -49.042 tors. eta vs tors. theta energy: -79.432 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: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -921.624588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.624588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.624588 (E_RNA) where: Base-Base interactions energy: -628.650 where: short stacking energy: -270.750 Base-Backbone interact. energy: 1.141 local terms energy: -294.115977 where: bonds (distance) C4'-P energy: -68.424 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -67.060 flat angles P-C4'-P energy: -37.753 tors. eta vs tors. theta energy: -60.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -925.895498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.895498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.895498 (E_RNA) where: Base-Base interactions energy: -620.582 where: short stacking energy: -288.390 Base-Backbone interact. energy: -1.111 local terms energy: -304.203168 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -65.749 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -73.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -547.888369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.888369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.888369 (E_RNA) where: Base-Base interactions energy: -310.614 where: short stacking energy: -145.618 Base-Backbone interact. energy: 1.435 local terms energy: -238.709739 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -60.010 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -13.936 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: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -516.958084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.958084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.958084 (E_RNA) where: Base-Base interactions energy: -289.485 where: short stacking energy: -142.137 Base-Backbone interact. energy: -1.747 local terms energy: -225.726144 where: bonds (distance) C4'-P energy: -58.542 bonds (distance) P-C4' energy: -57.937 flat angles C4'-P-C4' energy: -54.362 flat angles P-C4'-P energy: -39.378 tors. eta vs tors. theta energy: -15.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1337.502147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.502147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.502147 (E_RNA) where: Base-Base interactions energy: -941.635 where: short stacking energy: -373.542 Base-Backbone interact. energy: -0.060 local terms energy: -395.807389 where: bonds (distance) C4'-P energy: -75.518 bonds (distance) P-C4' energy: -74.461 flat angles C4'-P-C4' energy: -78.365 flat angles P-C4'-P energy: -56.513 tors. eta vs tors. theta energy: -110.950 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: 7 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1302.489862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.489862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.489862 (E_RNA) where: Base-Base interactions energy: -937.341 where: short stacking energy: -367.781 Base-Backbone interact. energy: -2.164 local terms energy: -362.985201 where: bonds (distance) C4'-P energy: -71.131 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -78.814 flat angles P-C4'-P energy: -48.254 tors. eta vs tors. theta energy: -89.874 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: 3, replica: 9 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1245.028068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.028068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.028068 (E_RNA) where: Base-Base interactions energy: -883.840 where: short stacking energy: -366.691 Base-Backbone interact. energy: 1.644 local terms energy: -362.831766 where: bonds (distance) C4'-P energy: -58.278 bonds (distance) P-C4' energy: -74.349 flat angles C4'-P-C4' energy: -79.849 flat angles P-C4'-P energy: -48.052 tors. eta vs tors. theta energy: -102.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1153.125638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.125638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.125638 (E_RNA) where: Base-Base interactions energy: -833.796 where: short stacking energy: -319.695 Base-Backbone interact. energy: -0.669 local terms energy: -318.660782 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -69.710 flat angles P-C4'-P energy: -44.708 tors. eta vs tors. theta energy: -79.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1111.229747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.229747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.229747 (E_RNA) where: Base-Base interactions energy: -782.483 where: short stacking energy: -336.665 Base-Backbone interact. energy: 1.369 local terms energy: -330.114967 where: bonds (distance) C4'-P energy: -71.633 bonds (distance) P-C4' energy: -53.924 flat angles C4'-P-C4' energy: -74.011 flat angles P-C4'-P energy: -45.808 tors. eta vs tors. theta energy: -84.739 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: 8 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1049.985391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.985391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.985391 (E_RNA) where: Base-Base interactions energy: -746.787 where: short stacking energy: -315.115 Base-Backbone interact. energy: -0.489 local terms energy: -302.708928 where: bonds (distance) C4'-P energy: -49.322 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -84.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -924.255476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.255476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.255476 (E_RNA) where: Base-Base interactions energy: -638.415 where: short stacking energy: -277.393 Base-Backbone interact. energy: 2.574 local terms energy: -288.414590 where: bonds (distance) C4'-P energy: -66.803 bonds (distance) P-C4' energy: -68.257 flat angles C4'-P-C4' energy: -60.451 flat angles P-C4'-P energy: -28.014 tors. eta vs tors. theta energy: -64.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -912.537509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.537509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.537509 (E_RNA) where: Base-Base interactions energy: -637.219 where: short stacking energy: -286.009 Base-Backbone interact. energy: -1.336 local terms energy: -273.982701 where: bonds (distance) C4'-P energy: -61.843 bonds (distance) P-C4' energy: -48.718 flat angles C4'-P-C4' energy: -53.516 flat angles P-C4'-P energy: -36.754 tors. eta vs tors. theta energy: -73.152 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: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -563.944479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.944479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.944479 (E_RNA) where: Base-Base interactions energy: -331.843 where: short stacking energy: -171.104 Base-Backbone interact. energy: 0.613 local terms energy: -232.714939 where: bonds (distance) C4'-P energy: -62.043 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -56.363 flat angles P-C4'-P energy: -23.205 tors. eta vs tors. theta energy: -27.267 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: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -547.039047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.039047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.039047 (E_RNA) where: Base-Base interactions energy: -307.043 where: short stacking energy: -172.184 Base-Backbone interact. energy: -1.049 local terms energy: -238.947450 where: bonds (distance) C4'-P energy: -64.473 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -61.013 flat angles P-C4'-P energy: -28.944 tors. eta vs tors. theta energy: -23.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1345.358189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.358189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.358189 (E_RNA) where: Base-Base interactions energy: -958.961 where: short stacking energy: -380.627 Base-Backbone interact. energy: -2.054 local terms energy: -384.342943 where: bonds (distance) C4'-P energy: -67.909 bonds (distance) P-C4' energy: -70.549 flat angles C4'-P-C4' energy: -74.461 flat angles P-C4'-P energy: -54.196 tors. eta vs tors. theta energy: -117.228 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: 7 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1292.680487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.680487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.680487 (E_RNA) where: Base-Base interactions energy: -925.687 where: short stacking energy: -364.772 Base-Backbone interact. energy: -0.984 local terms energy: -366.008684 where: bonds (distance) C4'-P energy: -65.632 bonds (distance) P-C4' energy: -72.082 flat angles C4'-P-C4' energy: -78.456 flat angles P-C4'-P energy: -56.693 tors. eta vs tors. theta energy: -93.146 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: 352 Temperature: 1.000000 Total energy: -1245.686166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.686166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.686166 (E_RNA) where: Base-Base interactions energy: -868.028 where: short stacking energy: -374.181 Base-Backbone interact. energy: -1.628 local terms energy: -376.029468 where: bonds (distance) C4'-P energy: -64.634 bonds (distance) P-C4' energy: -74.200 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -103.999 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: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1150.578472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.578472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.578472 (E_RNA) where: Base-Base interactions energy: -813.185 where: short stacking energy: -313.246 Base-Backbone interact. energy: 2.714 local terms energy: -340.106900 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -43.343 tors. eta vs tors. theta energy: -81.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1129.108427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.108427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.108427 (E_RNA) where: Base-Base interactions energy: -787.703 where: short stacking energy: -321.803 Base-Backbone interact. energy: 1.303 local terms energy: -342.708083 where: bonds (distance) C4'-P energy: -67.856 bonds (distance) P-C4' energy: -70.368 flat angles C4'-P-C4' energy: -67.253 flat angles P-C4'-P energy: -53.706 tors. eta vs tors. theta energy: -83.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1054.644167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.644167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.644167 (E_RNA) where: Base-Base interactions energy: -740.506 where: short stacking energy: -312.834 Base-Backbone interact. energy: 5.521 local terms energy: -319.658597 where: bonds (distance) C4'-P energy: -60.457 bonds (distance) P-C4' energy: -57.230 flat angles C4'-P-C4' energy: -71.398 flat angles P-C4'-P energy: -48.618 tors. eta vs tors. theta energy: -81.955 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: 7, replica: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -936.119063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.119063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.119063 (E_RNA) where: Base-Base interactions energy: -645.065 where: short stacking energy: -286.569 Base-Backbone interact. energy: -2.243 local terms energy: -288.811029 where: bonds (distance) C4'-P energy: -47.872 bonds (distance) P-C4' energy: -53.322 flat angles C4'-P-C4' energy: -64.165 flat angles P-C4'-P energy: -47.008 tors. eta vs tors. theta energy: -76.444 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: 352 Temperature: 1.250000 Total energy: -890.516821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.516821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.516821 (E_RNA) where: Base-Base interactions energy: -593.068 where: short stacking energy: -276.860 Base-Backbone interact. energy: -0.257 local terms energy: -297.191892 where: bonds (distance) C4'-P energy: -53.602 bonds (distance) P-C4' energy: -60.243 flat angles C4'-P-C4' energy: -65.678 flat angles P-C4'-P energy: -48.928 tors. eta vs tors. theta energy: -68.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -526.290305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.290305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.290305 (E_RNA) where: Base-Base interactions energy: -299.342 where: short stacking energy: -139.746 Base-Backbone interact. energy: 0.289 local terms energy: -227.237583 where: bonds (distance) C4'-P energy: -57.360 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -65.880 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -6.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -504.647265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.647265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.647265 (E_RNA) where: Base-Base interactions energy: -301.411 where: short stacking energy: -154.816 Base-Backbone interact. energy: 1.601 local terms energy: -204.837489 where: bonds (distance) C4'-P energy: -49.483 bonds (distance) P-C4' energy: -62.932 flat angles C4'-P-C4' energy: -32.539 flat angles P-C4'-P energy: -40.948 tors. eta vs tors. theta energy: -18.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1361.785987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.785987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.785987 (E_RNA) where: Base-Base interactions energy: -973.835 where: short stacking energy: -400.479 Base-Backbone interact. energy: -1.143 local terms energy: -386.807753 where: bonds (distance) C4'-P energy: -73.013 bonds (distance) P-C4' energy: -69.422 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -117.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1288.749016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.749016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.749016 (E_RNA) where: Base-Base interactions energy: -932.350 where: short stacking energy: -370.535 Base-Backbone interact. energy: -2.658 local terms energy: -353.741514 where: bonds (distance) C4'-P energy: -62.963 bonds (distance) P-C4' energy: -73.968 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -52.902 tors. eta vs tors. theta energy: -88.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1224.807450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.807450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.807450 (E_RNA) where: Base-Base interactions energy: -871.856 where: short stacking energy: -357.421 Base-Backbone interact. energy: -0.194 local terms energy: -352.757085 where: bonds (distance) C4'-P energy: -63.459 bonds (distance) P-C4' energy: -65.432 flat angles C4'-P-C4' energy: -73.947 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -101.022 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: 353 Temperature: 1.050000 Total energy: -1181.496945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.496945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.496945 (E_RNA) where: Base-Base interactions energy: -830.575 where: short stacking energy: -354.406 Base-Backbone interact. energy: -0.494 local terms energy: -350.427375 where: bonds (distance) C4'-P energy: -60.302 bonds (distance) P-C4' energy: -74.587 flat angles C4'-P-C4' energy: -74.396 flat angles P-C4'-P energy: -50.731 tors. eta vs tors. theta energy: -90.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1104.030388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.030388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.030388 (E_RNA) where: Base-Base interactions energy: -777.426 where: short stacking energy: -302.137 Base-Backbone interact. energy: -1.441 local terms energy: -325.163261 where: bonds (distance) C4'-P energy: -74.507 bonds (distance) P-C4' energy: -68.940 flat angles C4'-P-C4' energy: -74.754 flat angles P-C4'-P energy: -40.712 tors. eta vs tors. theta energy: -66.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1071.476977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.476977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.476977 (E_RNA) where: Base-Base interactions energy: -746.000 where: short stacking energy: -300.071 Base-Backbone interact. energy: 3.911 local terms energy: -329.387988 where: bonds (distance) C4'-P energy: -62.108 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -72.143 flat angles P-C4'-P energy: -44.511 tors. eta vs tors. theta energy: -88.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -985.461918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.461918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.461918 (E_RNA) where: Base-Base interactions energy: -671.216 where: short stacking energy: -286.737 Base-Backbone interact. energy: -2.132 local terms energy: -312.113345 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -68.353 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -44.234 tors. eta vs tors. theta energy: -76.852 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: 353 Temperature: 1.250000 Total energy: -902.785592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.785592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.785592 (E_RNA) where: Base-Base interactions energy: -607.237 where: short stacking energy: -267.120 Base-Backbone interact. energy: -1.565 local terms energy: -293.983944 where: bonds (distance) C4'-P energy: -61.634 bonds (distance) P-C4' energy: -65.666 flat angles C4'-P-C4' energy: -59.347 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -63.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -565.107830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.107830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.107830 (E_RNA) where: Base-Base interactions energy: -357.377 where: short stacking energy: -165.256 Base-Backbone interact. energy: 0.653 local terms energy: -208.383923 where: bonds (distance) C4'-P energy: -50.035 bonds (distance) P-C4' energy: -59.295 flat angles C4'-P-C4' energy: -53.392 flat angles P-C4'-P energy: -22.973 tors. eta vs tors. theta energy: -22.688 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: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -501.636481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.636481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.636481 (E_RNA) where: Base-Base interactions energy: -297.791 where: short stacking energy: -142.986 Base-Backbone interact. energy: 1.392 local terms energy: -205.237553 where: bonds (distance) C4'-P energy: -50.790 bonds (distance) P-C4' energy: -56.083 flat angles C4'-P-C4' energy: -51.379 flat angles P-C4'-P energy: -32.833 tors. eta vs tors. theta energy: -14.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1336.682247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.682247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.682247 (E_RNA) where: Base-Base interactions energy: -955.830 where: short stacking energy: -394.500 Base-Backbone interact. energy: -0.760 local terms energy: -380.092271 where: bonds (distance) C4'-P energy: -68.472 bonds (distance) P-C4' energy: -58.739 flat angles C4'-P-C4' energy: -79.536 flat angles P-C4'-P energy: -55.014 tors. eta vs tors. theta energy: -118.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1288.406478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.406478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.406478 (E_RNA) where: Base-Base interactions energy: -921.276 where: short stacking energy: -371.572 Base-Backbone interact. energy: -1.415 local terms energy: -365.715722 where: bonds (distance) C4'-P energy: -65.191 bonds (distance) P-C4' energy: -76.988 flat angles C4'-P-C4' energy: -78.403 flat angles P-C4'-P energy: -51.041 tors. eta vs tors. theta energy: -94.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1225.605243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.605243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.605243 (E_RNA) where: Base-Base interactions energy: -855.372 where: short stacking energy: -371.582 Base-Backbone interact. energy: -0.354 local terms energy: -369.879065 where: bonds (distance) C4'-P energy: -58.879 bonds (distance) P-C4' energy: -73.391 flat angles C4'-P-C4' energy: -76.863 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -102.370 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: 354 Temperature: 1.050000 Total energy: -1171.429189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.429189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.429189 (E_RNA) where: Base-Base interactions energy: -850.317 where: short stacking energy: -349.031 Base-Backbone interact. energy: -0.831 local terms energy: -320.281086 where: bonds (distance) C4'-P energy: -67.343 bonds (distance) P-C4' energy: -48.352 flat angles C4'-P-C4' energy: -66.547 flat angles P-C4'-P energy: -41.977 tors. eta vs tors. theta energy: -96.063 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: 354 Temperature: 1.100000 Total energy: -1085.332046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.332046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.332046 (E_RNA) where: Base-Base interactions energy: -764.703 where: short stacking energy: -328.517 Base-Backbone interact. energy: 0.962 local terms energy: -321.590533 where: bonds (distance) C4'-P energy: -71.024 bonds (distance) P-C4' energy: -55.564 flat angles C4'-P-C4' energy: -67.422 flat angles P-C4'-P energy: -46.274 tors. eta vs tors. theta energy: -81.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1063.127135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.127135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.127135 (E_RNA) where: Base-Base interactions energy: -755.900 where: short stacking energy: -282.070 Base-Backbone interact. energy: -0.537 local terms energy: -306.690425 where: bonds (distance) C4'-P energy: -51.324 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: -63.043 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: 1 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -987.449587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.449587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.449587 (E_RNA) where: Base-Base interactions energy: -670.706 where: short stacking energy: -302.432 Base-Backbone interact. energy: -0.487 local terms energy: -316.256522 where: bonds (distance) C4'-P energy: -53.112 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -54.579 flat angles P-C4'-P energy: -55.506 tors. eta vs tors. theta energy: -88.409 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: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -904.391431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.391431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.391431 (E_RNA) where: Base-Base interactions energy: -622.968 where: short stacking energy: -268.912 Base-Backbone interact. energy: 1.383 local terms energy: -282.806703 where: bonds (distance) C4'-P energy: -57.970 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -64.249 flat angles P-C4'-P energy: -41.571 tors. eta vs tors. theta energy: -60.265 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: 354 Temperature: 1.300000 Total energy: -554.786654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.786654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.786654 (E_RNA) where: Base-Base interactions energy: -334.045 where: short stacking energy: -163.444 Base-Backbone interact. energy: -0.595 local terms energy: -220.146169 where: bonds (distance) C4'-P energy: -49.190 bonds (distance) P-C4' energy: -56.494 flat angles C4'-P-C4' energy: -49.343 flat angles P-C4'-P energy: -35.725 tors. eta vs tors. theta energy: -29.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -460.864106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.864106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.864106 (E_RNA) where: Base-Base interactions energy: -257.685 where: short stacking energy: -130.977 Base-Backbone interact. energy: 2.829 local terms energy: -206.007857 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -55.188 flat angles C4'-P-C4' energy: -59.585 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: -4.858 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: 355 Temperature: 0.900000 Total energy: -1338.745219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.745219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.745219 (E_RNA) where: Base-Base interactions energy: -957.828 where: short stacking energy: -385.441 Base-Backbone interact. energy: -0.781 local terms energy: -380.136452 where: bonds (distance) C4'-P energy: -65.185 bonds (distance) P-C4' energy: -70.989 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -53.617 tors. eta vs tors. theta energy: -118.932 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: 2, replica: 7 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1286.013790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.013790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.013790 (E_RNA) where: Base-Base interactions energy: -919.295 where: short stacking energy: -367.096 Base-Backbone interact. energy: -0.334 local terms energy: -366.384628 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -96.660 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: 9 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1217.273230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.273230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.273230 (E_RNA) where: Base-Base interactions energy: -860.692 where: short stacking energy: -358.338 Base-Backbone interact. energy: 0.365 local terms energy: -356.945906 where: bonds (distance) C4'-P energy: -71.129 bonds (distance) P-C4' energy: -62.412 flat angles C4'-P-C4' energy: -79.542 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -98.377 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: 355 Temperature: 1.050000 Total energy: -1181.427598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.427598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.427598 (E_RNA) where: Base-Base interactions energy: -834.618 where: short stacking energy: -364.607 Base-Backbone interact. energy: 0.428 local terms energy: -347.237889 where: bonds (distance) C4'-P energy: -64.843 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -71.320 flat angles P-C4'-P energy: -41.867 tors. eta vs tors. theta energy: -105.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1075.503767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.503767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.503767 (E_RNA) where: Base-Base interactions energy: -765.251 where: short stacking energy: -315.095 Base-Backbone interact. energy: 0.439 local terms energy: -310.691749 where: bonds (distance) C4'-P energy: -52.733 bonds (distance) P-C4' energy: -54.764 flat angles C4'-P-C4' energy: -69.701 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -86.986 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: 6, replica: 6 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1084.774474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.774474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.774474 (E_RNA) where: Base-Base interactions energy: -776.417 where: short stacking energy: -292.480 Base-Backbone interact. energy: 0.024 local terms energy: -308.380606 where: bonds (distance) C4'-P energy: -65.109 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -75.070 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -65.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -941.680273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.680273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.680273 (E_RNA) where: Base-Base interactions energy: -654.930 where: short stacking energy: -299.340 Base-Backbone interact. energy: -0.180 local terms energy: -286.570225 where: bonds (distance) C4'-P energy: -57.323 bonds (distance) P-C4' energy: -57.466 flat angles C4'-P-C4' energy: -61.206 flat angles P-C4'-P energy: -38.660 tors. eta vs tors. theta energy: -71.914 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: 8, replica: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -958.618675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.618675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.618675 (E_RNA) where: Base-Base interactions energy: -648.123 where: short stacking energy: -284.221 Base-Backbone interact. energy: 0.097 local terms energy: -310.592584 where: bonds (distance) C4'-P energy: -61.464 bonds (distance) P-C4' energy: -64.977 flat angles C4'-P-C4' energy: -68.631 flat angles P-C4'-P energy: -39.570 tors. eta vs tors. theta energy: -75.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -538.232390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.232390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.232390 (E_RNA) where: Base-Base interactions energy: -326.736 where: short stacking energy: -161.066 Base-Backbone interact. energy: -0.683 local terms energy: -210.813557 where: bonds (distance) C4'-P energy: -53.507 bonds (distance) P-C4' energy: -52.877 flat angles C4'-P-C4' energy: -55.623 flat angles P-C4'-P energy: -29.140 tors. eta vs tors. theta energy: -19.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -436.665479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.665479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.665479 (E_RNA) where: Base-Base interactions energy: -231.123 where: short stacking energy: -115.209 Base-Backbone interact. energy: -2.381 local terms energy: -203.161338 where: bonds (distance) C4'-P energy: -63.086 bonds (distance) P-C4' energy: -63.457 flat angles C4'-P-C4' energy: -46.047 flat angles P-C4'-P energy: -31.224 tors. eta vs tors. theta energy: 0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1340.571750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.571750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.571750 (E_RNA) where: Base-Base interactions energy: -955.273 where: short stacking energy: -399.090 Base-Backbone interact. energy: 0.123 local terms energy: -385.422031 where: bonds (distance) C4'-P energy: -73.237 bonds (distance) P-C4' energy: -66.635 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -57.600 tors. eta vs tors. theta energy: -116.041 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: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1267.744404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.744404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.744404 (E_RNA) where: Base-Base interactions energy: -926.217 where: short stacking energy: -360.209 Base-Backbone interact. energy: 0.301 local terms energy: -341.828456 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -75.837 flat angles C4'-P-C4' energy: -67.895 flat angles P-C4'-P energy: -54.742 tors. eta vs tors. theta energy: -87.436 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: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1223.045931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.045931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.045931 (E_RNA) where: Base-Base interactions energy: -863.816 where: short stacking energy: -372.116 Base-Backbone interact. energy: -0.342 local terms energy: -358.887860 where: bonds (distance) C4'-P energy: -61.615 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -86.887 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: -97.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1173.093135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.093135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.093135 (E_RNA) where: Base-Base interactions energy: -837.279 where: short stacking energy: -350.529 Base-Backbone interact. energy: 1.567 local terms energy: -337.381424 where: bonds (distance) C4'-P energy: -55.891 bonds (distance) P-C4' energy: -68.042 flat angles C4'-P-C4' energy: -74.228 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -92.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1099.783752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.783752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.783752 (E_RNA) where: Base-Base interactions energy: -802.274 where: short stacking energy: -305.391 Base-Backbone interact. energy: 4.136 local terms energy: -301.646004 where: bonds (distance) C4'-P energy: -56.185 bonds (distance) P-C4' energy: -61.580 flat angles C4'-P-C4' energy: -71.786 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -72.988 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: 356 Temperature: 1.150000 Total energy: -1020.733529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.733529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.733529 (E_RNA) where: Base-Base interactions energy: -706.069 where: short stacking energy: -304.348 Base-Backbone interact. energy: -1.063 local terms energy: -313.601111 where: bonds (distance) C4'-P energy: -45.709 bonds (distance) P-C4' energy: -50.837 flat angles C4'-P-C4' energy: -74.462 flat angles P-C4'-P energy: -51.802 tors. eta vs tors. theta energy: -90.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -927.607743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.607743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.607743 (E_RNA) where: Base-Base interactions energy: -629.958 where: short stacking energy: -272.709 Base-Backbone interact. energy: 0.063 local terms energy: -297.712655 where: bonds (distance) C4'-P energy: -56.593 bonds (distance) P-C4' energy: -63.412 flat angles C4'-P-C4' energy: -62.887 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -74.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -935.216467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.216467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.216467 (E_RNA) where: Base-Base interactions energy: -624.245 where: short stacking energy: -271.420 Base-Backbone interact. energy: 1.047 local terms energy: -312.019315 where: bonds (distance) C4'-P energy: -63.156 bonds (distance) P-C4' energy: -61.865 flat angles C4'-P-C4' energy: -76.380 flat angles P-C4'-P energy: -42.263 tors. eta vs tors. theta energy: -68.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -551.300079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.300079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.300079 (E_RNA) where: Base-Base interactions energy: -325.948 where: short stacking energy: -148.401 Base-Backbone interact. energy: -1.026 local terms energy: -224.325536 where: bonds (distance) C4'-P energy: -50.597 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -47.223 flat angles P-C4'-P energy: -33.742 tors. eta vs tors. theta energy: -21.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -464.904338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.904338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.904338 (E_RNA) where: Base-Base interactions energy: -266.778 where: short stacking energy: -136.018 Base-Backbone interact. energy: 1.346 local terms energy: -199.471648 where: bonds (distance) C4'-P energy: -43.017 bonds (distance) P-C4' energy: -69.626 flat angles C4'-P-C4' energy: -58.901 flat angles P-C4'-P energy: -29.000 tors. eta vs tors. theta energy: 1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1351.151937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.151937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.151937 (E_RNA) where: Base-Base interactions energy: -961.046 where: short stacking energy: -405.236 Base-Backbone interact. energy: -0.634 local terms energy: -389.472671 where: bonds (distance) C4'-P energy: -70.671 bonds (distance) P-C4' energy: -68.483 flat angles C4'-P-C4' energy: -72.694 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -123.512 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: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1269.808847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.808847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.808847 (E_RNA) where: Base-Base interactions energy: -907.361 where: short stacking energy: -378.002 Base-Backbone interact. energy: 1.552 local terms energy: -363.999213 where: bonds (distance) C4'-P energy: -68.359 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -82.360 flat angles P-C4'-P energy: -40.943 tors. eta vs tors. theta energy: -100.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1240.358097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.358097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.358097 (E_RNA) where: Base-Base interactions energy: -861.452 where: short stacking energy: -376.646 Base-Backbone interact. energy: -0.288 local terms energy: -378.617986 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -76.734 flat angles C4'-P-C4' energy: -77.856 flat angles P-C4'-P energy: -54.259 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: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1153.744313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.744313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.744313 (E_RNA) where: Base-Base interactions energy: -805.796 where: short stacking energy: -338.422 Base-Backbone interact. energy: 0.404 local terms energy: -348.352268 where: bonds (distance) C4'-P energy: -74.792 bonds (distance) P-C4' energy: -60.185 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: -95.536 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: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1106.042467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.042467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.042467 (E_RNA) where: Base-Base interactions energy: -811.350 where: short stacking energy: -322.576 Base-Backbone interact. energy: 0.411 local terms energy: -295.103596 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -53.944 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -44.809 tors. eta vs tors. theta energy: -70.606 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: 6, replica: 8 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1036.075530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.075530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.075530 (E_RNA) where: Base-Base interactions energy: -727.490 where: short stacking energy: -292.176 Base-Backbone interact. energy: -2.457 local terms energy: -306.128662 where: bonds (distance) C4'-P energy: -60.257 bonds (distance) P-C4' energy: -62.425 flat angles C4'-P-C4' energy: -72.069 flat angles P-C4'-P energy: -42.868 tors. eta vs tors. theta energy: -68.509 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: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -943.193101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.193101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.193101 (E_RNA) where: Base-Base interactions energy: -638.623 where: short stacking energy: -273.778 Base-Backbone interact. energy: -0.893 local terms energy: -303.676826 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -57.558 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -42.244 tors. eta vs tors. theta energy: -65.624 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: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -909.621690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.621690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.621690 (E_RNA) where: Base-Base interactions energy: -613.586 where: short stacking energy: -281.880 Base-Backbone interact. energy: 0.557 local terms energy: -296.592550 where: bonds (distance) C4'-P energy: -50.441 bonds (distance) P-C4' energy: -57.347 flat angles C4'-P-C4' energy: -72.668 flat angles P-C4'-P energy: -45.551 tors. eta vs tors. theta energy: -70.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -571.030263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.030263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.030263 (E_RNA) where: Base-Base interactions energy: -340.514 where: short stacking energy: -180.162 Base-Backbone interact. energy: -1.204 local terms energy: -229.312491 where: bonds (distance) C4'-P energy: -55.569 bonds (distance) P-C4' energy: -59.974 flat angles C4'-P-C4' energy: -51.160 flat angles P-C4'-P energy: -33.009 tors. eta vs tors. theta energy: -29.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -508.494812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.494812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.494812 (E_RNA) where: Base-Base interactions energy: -281.732 where: short stacking energy: -141.412 Base-Backbone interact. energy: -1.197 local terms energy: -225.565770 where: bonds (distance) C4'-P energy: -50.132 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -28.226 tors. eta vs tors. theta energy: -15.707 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: 358 Temperature: 0.900000 Total energy: -1340.806574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.806574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.806574 (E_RNA) where: Base-Base interactions energy: -948.976 where: short stacking energy: -406.703 Base-Backbone interact. energy: -0.863 local terms energy: -390.967751 where: bonds (distance) C4'-P energy: -72.403 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -74.107 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -119.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1274.376015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.376015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.376015 (E_RNA) where: Base-Base interactions energy: -911.498 where: short stacking energy: -378.329 Base-Backbone interact. energy: 1.456 local terms energy: -364.333410 where: bonds (distance) C4'-P energy: -58.270 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -79.187 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -101.760 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: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1219.503547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.503547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.503547 (E_RNA) where: Base-Base interactions energy: -850.008 where: short stacking energy: -362.394 Base-Backbone interact. energy: 2.242 local terms energy: -371.736999 where: bonds (distance) C4'-P energy: -69.401 bonds (distance) P-C4' energy: -72.347 flat angles C4'-P-C4' energy: -79.475 flat angles P-C4'-P energy: -50.002 tors. eta vs tors. theta energy: -100.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1145.026847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.026847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.026847 (E_RNA) where: Base-Base interactions energy: -818.095 where: short stacking energy: -345.495 Base-Backbone interact. energy: -1.811 local terms energy: -325.121099 where: bonds (distance) C4'-P energy: -52.854 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -73.277 flat angles P-C4'-P energy: -52.030 tors. eta vs tors. theta energy: -83.392 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: 358 Temperature: 1.100000 Total energy: -1130.875220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.875220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.875220 (E_RNA) where: Base-Base interactions energy: -816.683 where: short stacking energy: -311.637 Base-Backbone interact. energy: -3.356 local terms energy: -310.835687 where: bonds (distance) C4'-P energy: -53.561 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -76.535 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -70.694 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: 358 Temperature: 1.150000 Total energy: -1045.729021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.729021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.729021 (E_RNA) where: Base-Base interactions energy: -751.320 where: short stacking energy: -317.749 Base-Backbone interact. energy: -1.811 local terms energy: -292.597559 where: bonds (distance) C4'-P energy: -55.494 bonds (distance) P-C4' energy: -53.265 flat angles C4'-P-C4' energy: -66.349 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: -79.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -916.056177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.056177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.056177 (E_RNA) where: Base-Base interactions energy: -608.149 where: short stacking energy: -273.882 Base-Backbone interact. energy: 0.830 local terms energy: -308.737296 where: bonds (distance) C4'-P energy: -62.580 bonds (distance) P-C4' energy: -56.902 flat angles C4'-P-C4' energy: -75.456 flat angles P-C4'-P energy: -41.201 tors. eta vs tors. theta energy: -72.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -908.558665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.558665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.558665 (E_RNA) where: Base-Base interactions energy: -618.962 where: short stacking energy: -271.492 Base-Backbone interact. energy: 0.377 local terms energy: -289.973601 where: bonds (distance) C4'-P energy: -44.335 bonds (distance) P-C4' energy: -55.411 flat angles C4'-P-C4' energy: -70.610 flat angles P-C4'-P energy: -44.502 tors. eta vs tors. theta energy: -75.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -519.330032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.330032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.330032 (E_RNA) where: Base-Base interactions energy: -306.575 where: short stacking energy: -148.851 Base-Backbone interact. energy: 0.062 local terms energy: -212.816745 where: bonds (distance) C4'-P energy: -62.923 bonds (distance) P-C4' energy: -46.173 flat angles C4'-P-C4' energy: -48.976 flat angles P-C4'-P energy: -31.684 tors. eta vs tors. theta energy: -23.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -484.550188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.550188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.550188 (E_RNA) where: Base-Base interactions energy: -258.483 where: short stacking energy: -156.812 Base-Backbone interact. energy: -1.877 local terms energy: -224.190650 where: bonds (distance) C4'-P energy: -58.504 bonds (distance) P-C4' energy: -60.679 flat angles C4'-P-C4' energy: -59.946 flat angles P-C4'-P energy: -31.954 tors. eta vs tors. theta energy: -13.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1366.298164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.298164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.298164 (E_RNA) where: Base-Base interactions energy: -965.552 where: short stacking energy: -408.089 Base-Backbone interact. energy: -1.002 local terms energy: -399.743934 where: bonds (distance) C4'-P energy: -74.165 bonds (distance) P-C4' energy: -65.931 flat angles C4'-P-C4' energy: -80.681 flat angles P-C4'-P energy: -56.723 tors. eta vs tors. theta energy: -122.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1266.865773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.865773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.865773 (E_RNA) where: Base-Base interactions energy: -912.845 where: short stacking energy: -369.400 Base-Backbone interact. energy: -1.901 local terms energy: -352.119815 where: bonds (distance) C4'-P energy: -55.227 bonds (distance) P-C4' energy: -62.645 flat angles C4'-P-C4' energy: -83.499 flat angles P-C4'-P energy: -51.774 tors. eta vs tors. theta energy: -98.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1222.787443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.787443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.787443 (E_RNA) where: Base-Base interactions energy: -851.397 where: short stacking energy: -358.565 Base-Backbone interact. energy: -1.024 local terms energy: -370.365714 where: bonds (distance) C4'-P energy: -70.088 bonds (distance) P-C4' energy: -65.978 flat angles C4'-P-C4' energy: -81.724 flat angles P-C4'-P energy: -51.473 tors. eta vs tors. theta energy: -101.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1155.870147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.870147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.870147 (E_RNA) where: Base-Base interactions energy: -808.705 where: short stacking energy: -340.591 Base-Backbone interact. energy: -2.684 local terms energy: -344.480479 where: bonds (distance) C4'-P energy: -68.586 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -75.460 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: -89.650 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: 359 Temperature: 1.100000 Total energy: -1067.699444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.699444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.699444 (E_RNA) where: Base-Base interactions energy: -777.983 where: short stacking energy: -296.851 Base-Backbone interact. energy: 0.034 local terms energy: -289.750714 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -58.690 flat angles C4'-P-C4' energy: -69.921 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -59.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1043.778745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.778745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.778745 (E_RNA) where: Base-Base interactions energy: -714.207 where: short stacking energy: -288.194 Base-Backbone interact. energy: -0.861 local terms energy: -328.710685 where: bonds (distance) C4'-P energy: -67.043 bonds (distance) P-C4' energy: -65.063 flat angles C4'-P-C4' energy: -79.635 flat angles P-C4'-P energy: -44.080 tors. eta vs tors. theta energy: -72.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -921.916448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.916448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.916448 (E_RNA) where: Base-Base interactions energy: -627.416 where: short stacking energy: -281.761 Base-Backbone interact. energy: 3.598 local terms energy: -298.099132 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -62.153 flat angles P-C4'-P energy: -52.825 tors. eta vs tors. theta energy: -64.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -906.269014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.269014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.269014 (E_RNA) where: Base-Base interactions energy: -598.210 where: short stacking energy: -271.640 Base-Backbone interact. energy: -0.253 local terms energy: -307.806065 where: bonds (distance) C4'-P energy: -66.215 bonds (distance) P-C4' energy: -61.801 flat angles C4'-P-C4' energy: -59.386 flat angles P-C4'-P energy: -38.974 tors. eta vs tors. theta energy: -81.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -530.701751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.701751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.701751 (E_RNA) where: Base-Base interactions energy: -318.074 where: short stacking energy: -180.910 Base-Backbone interact. energy: 1.086 local terms energy: -213.713930 where: bonds (distance) C4'-P energy: -47.179 bonds (distance) P-C4' energy: -67.734 flat angles C4'-P-C4' energy: -45.527 flat angles P-C4'-P energy: -31.118 tors. eta vs tors. theta energy: -22.155 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: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -527.965832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.965832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.965832 (E_RNA) where: Base-Base interactions energy: -312.818 where: short stacking energy: -131.724 Base-Backbone interact. energy: -0.886 local terms energy: -214.262453 where: bonds (distance) C4'-P energy: -59.046 bonds (distance) P-C4' energy: -55.032 flat angles C4'-P-C4' energy: -60.904 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: 0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1343.078917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.078917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.078917 (E_RNA) where: Base-Base interactions energy: -948.456 where: short stacking energy: -402.725 Base-Backbone interact. energy: -0.408 local terms energy: -394.215661 where: bonds (distance) C4'-P energy: -68.650 bonds (distance) P-C4' energy: -65.645 flat angles C4'-P-C4' energy: -84.890 flat angles P-C4'-P energy: -50.118 tors. eta vs tors. theta energy: -124.913 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: 7 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1252.672781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.672781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.672781 (E_RNA) where: Base-Base interactions energy: -891.408 where: short stacking energy: -354.771 Base-Backbone interact. energy: 0.971 local terms energy: -362.235545 where: bonds (distance) C4'-P energy: -73.769 bonds (distance) P-C4' energy: -75.945 flat angles C4'-P-C4' energy: -68.704 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -92.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1178.610119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.610119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.610119 (E_RNA) where: Base-Base interactions energy: -825.467 where: short stacking energy: -343.401 Base-Backbone interact. energy: -0.528 local terms energy: -352.614668 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -70.647 flat angles P-C4'-P energy: -53.698 tors. eta vs tors. theta energy: -88.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1206.007695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.007695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.007695 (E_RNA) where: Base-Base interactions energy: -853.553 where: short stacking energy: -351.327 Base-Backbone interact. energy: -1.555 local terms energy: -350.899553 where: bonds (distance) C4'-P energy: -67.346 bonds (distance) P-C4' energy: -61.583 flat angles C4'-P-C4' energy: -75.725 flat angles P-C4'-P energy: -46.551 tors. eta vs tors. theta energy: -99.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1060.162200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.162200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.162200 (E_RNA) where: Base-Base interactions energy: -758.438 where: short stacking energy: -301.215 Base-Backbone interact. energy: 0.065 local terms energy: -301.788551 where: bonds (distance) C4'-P energy: -58.751 bonds (distance) P-C4' energy: -65.232 flat angles C4'-P-C4' energy: -72.963 flat angles P-C4'-P energy: -39.179 tors. eta vs tors. theta energy: -65.664 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: 8 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1031.744120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.744120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.744120 (E_RNA) where: Base-Base interactions energy: -726.235 where: short stacking energy: -295.282 Base-Backbone interact. energy: -0.442 local terms energy: -305.066628 where: bonds (distance) C4'-P energy: -58.294 bonds (distance) P-C4' energy: -56.271 flat angles C4'-P-C4' energy: -66.875 flat angles P-C4'-P energy: -49.768 tors. eta vs tors. theta energy: -73.859 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: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -972.934131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.934131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.934131 (E_RNA) where: Base-Base interactions energy: -668.826 where: short stacking energy: -291.734 Base-Backbone interact. energy: -1.099 local terms energy: -303.009002 where: bonds (distance) C4'-P energy: -50.188 bonds (distance) P-C4' energy: -57.258 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -49.034 tors. eta vs tors. theta energy: -73.408 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: 360 Temperature: 1.250000 Total energy: -897.101734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.101734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.101734 (E_RNA) where: Base-Base interactions energy: -618.350 where: short stacking energy: -258.908 Base-Backbone interact. energy: 3.159 local terms energy: -281.911063 where: bonds (distance) C4'-P energy: -54.666 bonds (distance) P-C4' energy: -58.210 flat angles C4'-P-C4' energy: -60.700 flat angles P-C4'-P energy: -40.281 tors. eta vs tors. theta energy: -68.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -554.920298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.920298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.920298 (E_RNA) where: Base-Base interactions energy: -325.308 where: short stacking energy: -169.265 Base-Backbone interact. energy: -1.620 local terms energy: -227.992283 where: bonds (distance) C4'-P energy: -48.991 bonds (distance) P-C4' energy: -60.870 flat angles C4'-P-C4' energy: -51.061 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -28.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -497.906990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.906990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.906990 (E_RNA) where: Base-Base interactions energy: -269.794 where: short stacking energy: -142.312 Base-Backbone interact. energy: 1.571 local terms energy: -229.684269 where: bonds (distance) C4'-P energy: -53.968 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -57.598 flat angles P-C4'-P energy: -28.999 tors. eta vs tors. theta energy: -20.406 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: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1340.397655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.397655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.397655 (E_RNA) where: Base-Base interactions energy: -933.733 where: short stacking energy: -394.216 Base-Backbone interact. energy: -2.215 local terms energy: -404.449038 where: bonds (distance) C4'-P energy: -67.838 bonds (distance) P-C4' energy: -70.751 flat angles C4'-P-C4' energy: -83.951 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -121.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1268.943275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.943275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.943275 (E_RNA) where: Base-Base interactions energy: -894.970 where: short stacking energy: -376.648 Base-Backbone interact. energy: -0.086 local terms energy: -373.886724 where: bonds (distance) C4'-P energy: -68.840 bonds (distance) P-C4' energy: -75.931 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -55.203 tors. eta vs tors. theta energy: -102.625 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: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1179.698366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.698366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.698366 (E_RNA) where: Base-Base interactions energy: -834.686 where: short stacking energy: -348.728 Base-Backbone interact. energy: 1.802 local terms energy: -346.814297 where: bonds (distance) C4'-P energy: -55.185 bonds (distance) P-C4' energy: -79.454 flat angles C4'-P-C4' energy: -72.514 flat angles P-C4'-P energy: -50.806 tors. eta vs tors. theta energy: -88.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1238.072841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.072841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.072841 (E_RNA) where: Base-Base interactions energy: -863.255 where: short stacking energy: -370.837 Base-Backbone interact. energy: -2.260 local terms energy: -372.557431 where: bonds (distance) C4'-P energy: -60.707 bonds (distance) P-C4' energy: -70.314 flat angles C4'-P-C4' energy: -83.488 flat angles P-C4'-P energy: -51.611 tors. eta vs tors. theta energy: -106.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1060.509138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.509138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.509138 (E_RNA) where: Base-Base interactions energy: -754.181 where: short stacking energy: -285.166 Base-Backbone interact. energy: 4.657 local terms energy: -310.985290 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -51.070 flat angles C4'-P-C4' energy: -71.188 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -73.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1024.019574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.019574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.019574 (E_RNA) where: Base-Base interactions energy: -712.978 where: short stacking energy: -326.629 Base-Backbone interact. energy: 0.644 local terms energy: -311.686460 where: bonds (distance) C4'-P energy: -53.018 bonds (distance) P-C4' energy: -60.833 flat angles C4'-P-C4' energy: -70.586 flat angles P-C4'-P energy: -46.805 tors. eta vs tors. theta energy: -80.444 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: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -946.701769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.701769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.701769 (E_RNA) where: Base-Base interactions energy: -640.416 where: short stacking energy: -292.541 Base-Backbone interact. energy: -2.001 local terms energy: -304.284336 where: bonds (distance) C4'-P energy: -56.511 bonds (distance) P-C4' energy: -69.802 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -68.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -875.516070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.516070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.516070 (E_RNA) where: Base-Base interactions energy: -579.880 where: short stacking energy: -247.510 Base-Backbone interact. energy: -2.000 local terms energy: -293.635959 where: bonds (distance) C4'-P energy: -72.319 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -65.630 flat angles P-C4'-P energy: -35.807 tors. eta vs tors. theta energy: -59.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -574.838262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.838262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.838262 (E_RNA) where: Base-Base interactions energy: -345.325 where: short stacking energy: -160.835 Base-Backbone interact. energy: 0.529 local terms energy: -230.042345 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -55.652 flat angles C4'-P-C4' energy: -61.531 flat angles P-C4'-P energy: -35.520 tors. eta vs tors. theta energy: -19.492 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: 2 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -521.032179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.032179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.032179 (E_RNA) where: Base-Base interactions energy: -322.148 where: short stacking energy: -153.891 Base-Backbone interact. energy: 2.285 local terms energy: -201.169452 where: bonds (distance) C4'-P energy: -58.264 bonds (distance) P-C4' energy: -55.829 flat angles C4'-P-C4' energy: -41.206 flat angles P-C4'-P energy: -30.942 tors. eta vs tors. theta energy: -14.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1336.648928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.648928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.648928 (E_RNA) where: Base-Base interactions energy: -941.602 where: short stacking energy: -386.470 Base-Backbone interact. energy: -0.968 local terms energy: -394.079498 where: bonds (distance) C4'-P energy: -72.076 bonds (distance) P-C4' energy: -70.232 flat angles C4'-P-C4' energy: -76.909 flat angles P-C4'-P energy: -54.513 tors. eta vs tors. theta energy: -120.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1254.943389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.943389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.943389 (E_RNA) where: Base-Base interactions energy: -893.700 where: short stacking energy: -372.827 Base-Backbone interact. energy: 2.002 local terms energy: -363.244684 where: bonds (distance) C4'-P energy: -64.059 bonds (distance) P-C4' energy: -63.863 flat angles C4'-P-C4' energy: -83.292 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -105.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1248.426075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.426075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.426075 (E_RNA) where: Base-Base interactions energy: -873.916 where: short stacking energy: -366.614 Base-Backbone interact. energy: -1.363 local terms energy: -373.146735 where: bonds (distance) C4'-P energy: -71.072 bonds (distance) P-C4' energy: -66.864 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: -108.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1161.143838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.143838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.143838 (E_RNA) where: Base-Base interactions energy: -814.342 where: short stacking energy: -346.629 Base-Backbone interact. energy: -1.433 local terms energy: -345.369096 where: bonds (distance) C4'-P energy: -61.453 bonds (distance) P-C4' energy: -71.588 flat angles C4'-P-C4' energy: -71.945 flat angles P-C4'-P energy: -42.870 tors. eta vs tors. theta energy: -97.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1036.019166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.019166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.019166 (E_RNA) where: Base-Base interactions energy: -740.087 where: short stacking energy: -282.568 Base-Backbone interact. energy: 1.183 local terms energy: -297.115451 where: bonds (distance) C4'-P energy: -67.220 bonds (distance) P-C4' energy: -64.375 flat angles C4'-P-C4' energy: -67.882 flat angles P-C4'-P energy: -34.406 tors. eta vs tors. theta energy: -63.233 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: 8 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1037.021012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.021012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.021012 (E_RNA) where: Base-Base interactions energy: -709.055 where: short stacking energy: -301.603 Base-Backbone interact. energy: 1.204 local terms energy: -329.169950 where: bonds (distance) C4'-P energy: -52.290 bonds (distance) P-C4' energy: -67.087 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -60.319 tors. eta vs tors. theta energy: -81.864 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: 1 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -931.099468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.099468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.099468 (E_RNA) where: Base-Base interactions energy: -627.434 where: short stacking energy: -276.849 Base-Backbone interact. energy: -2.514 local terms energy: -301.151873 where: bonds (distance) C4'-P energy: -60.078 bonds (distance) P-C4' energy: -65.746 flat angles C4'-P-C4' energy: -66.749 flat angles P-C4'-P energy: -46.588 tors. eta vs tors. theta energy: -61.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -913.443453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.443453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.443453 (E_RNA) where: Base-Base interactions energy: -627.113 where: short stacking energy: -261.249 Base-Backbone interact. energy: 0.203 local terms energy: -286.534227 where: bonds (distance) C4'-P energy: -61.821 bonds (distance) P-C4' energy: -52.400 flat angles C4'-P-C4' energy: -65.146 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -64.196 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: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -580.899262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.899262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.899262 (E_RNA) where: Base-Base interactions energy: -353.708 where: short stacking energy: -161.217 Base-Backbone interact. energy: -1.034 local terms energy: -226.156605 where: bonds (distance) C4'-P energy: -48.775 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -52.059 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -21.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -473.567713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.567713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.567713 (E_RNA) where: Base-Base interactions energy: -286.431 where: short stacking energy: -150.480 Base-Backbone interact. energy: 0.798 local terms energy: -187.934087 where: bonds (distance) C4'-P energy: -45.949 bonds (distance) P-C4' energy: -48.325 flat angles C4'-P-C4' energy: -45.731 flat angles P-C4'-P energy: -32.455 tors. eta vs tors. theta energy: -15.474 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: 363 Temperature: 0.900000 Total energy: -1333.514480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.514480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.514480 (E_RNA) where: Base-Base interactions energy: -949.382 where: short stacking energy: -393.925 Base-Backbone interact. energy: -1.048 local terms energy: -383.084601 where: bonds (distance) C4'-P energy: -65.995 bonds (distance) P-C4' energy: -63.683 flat angles C4'-P-C4' energy: -80.684 flat angles P-C4'-P energy: -50.920 tors. eta vs tors. theta energy: -121.802 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: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1251.422375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.422375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.422375 (E_RNA) where: Base-Base interactions energy: -889.150 where: short stacking energy: -385.026 Base-Backbone interact. energy: -1.871 local terms energy: -360.401932 where: bonds (distance) C4'-P energy: -62.320 bonds (distance) P-C4' energy: -69.814 flat angles C4'-P-C4' energy: -79.117 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -99.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1237.077175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.077175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.077175 (E_RNA) where: Base-Base interactions energy: -865.980 where: short stacking energy: -340.660 Base-Backbone interact. energy: -0.140 local terms energy: -370.957247 where: bonds (distance) C4'-P energy: -69.643 bonds (distance) P-C4' energy: -73.233 flat angles C4'-P-C4' energy: -82.048 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -90.392 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: 4, replica: 5 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1151.282550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.282550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.282550 (E_RNA) where: Base-Base interactions energy: -807.826 where: short stacking energy: -332.418 Base-Backbone interact. energy: -1.741 local terms energy: -341.714952 where: bonds (distance) C4'-P energy: -69.976 bonds (distance) P-C4' energy: -62.941 flat angles C4'-P-C4' energy: -71.166 flat angles P-C4'-P energy: -45.005 tors. eta vs tors. theta energy: -92.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1082.388637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.388637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.388637 (E_RNA) where: Base-Base interactions energy: -769.937 where: short stacking energy: -297.985 Base-Backbone interact. energy: 2.943 local terms energy: -315.394326 where: bonds (distance) C4'-P energy: -54.980 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -70.650 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: 8 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1062.053226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.053226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.053226 (E_RNA) where: Base-Base interactions energy: -745.408 where: short stacking energy: -314.380 Base-Backbone interact. energy: -0.061 local terms energy: -316.584184 where: bonds (distance) C4'-P energy: -55.808 bonds (distance) P-C4' energy: -62.959 flat angles C4'-P-C4' energy: -72.275 flat angles P-C4'-P energy: -43.536 tors. eta vs tors. theta energy: -82.007 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: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -953.613616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.613616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.613616 (E_RNA) where: Base-Base interactions energy: -652.612 where: short stacking energy: -278.444 Base-Backbone interact. energy: -2.348 local terms energy: -298.653752 where: bonds (distance) C4'-P energy: -57.703 bonds (distance) P-C4' energy: -62.459 flat angles C4'-P-C4' energy: -69.986 flat angles P-C4'-P energy: -47.141 tors. eta vs tors. theta energy: -61.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -895.091349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.091349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.091349 (E_RNA) where: Base-Base interactions energy: -613.929 where: short stacking energy: -272.232 Base-Backbone interact. energy: 2.406 local terms energy: -283.568210 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -52.558 flat angles C4'-P-C4' energy: -74.275 flat angles P-C4'-P energy: -27.079 tors. eta vs tors. theta energy: -71.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -579.040536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.040536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.040536 (E_RNA) where: Base-Base interactions energy: -349.563 where: short stacking energy: -180.963 Base-Backbone interact. energy: -1.223 local terms energy: -228.254314 where: bonds (distance) C4'-P energy: -57.301 bonds (distance) P-C4' energy: -67.284 flat angles C4'-P-C4' energy: -47.260 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -23.469 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: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -476.610617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.610617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.610617 (E_RNA) where: Base-Base interactions energy: -278.505 where: short stacking energy: -160.174 Base-Backbone interact. energy: -1.165 local terms energy: -196.939987 where: bonds (distance) C4'-P energy: -42.385 bonds (distance) P-C4' energy: -56.206 flat angles C4'-P-C4' energy: -55.485 flat angles P-C4'-P energy: -28.921 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1305.140645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.140645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.140645 (E_RNA) where: Base-Base interactions energy: -923.008 where: short stacking energy: -385.259 Base-Backbone interact. energy: -0.546 local terms energy: -381.585992 where: bonds (distance) C4'-P energy: -63.874 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -76.588 flat angles P-C4'-P energy: -56.182 tors. eta vs tors. theta energy: -118.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1272.258782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.258782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.258782 (E_RNA) where: Base-Base interactions energy: -898.783 where: short stacking energy: -385.400 Base-Backbone interact. energy: 0.420 local terms energy: -373.895651 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -66.675 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -51.432 tors. eta vs tors. theta energy: -105.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1226.398225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.398225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.398225 (E_RNA) where: Base-Base interactions energy: -871.529 where: short stacking energy: -367.455 Base-Backbone interact. energy: -0.485 local terms energy: -354.383996 where: bonds (distance) C4'-P energy: -68.448 bonds (distance) P-C4' energy: -63.817 flat angles C4'-P-C4' energy: -79.817 flat angles P-C4'-P energy: -49.641 tors. eta vs tors. theta energy: -92.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1122.263634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.263634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.263634 (E_RNA) where: Base-Base interactions energy: -794.194 where: short stacking energy: -326.297 Base-Backbone interact. energy: 0.144 local terms energy: -328.213510 where: bonds (distance) C4'-P energy: -51.457 bonds (distance) P-C4' energy: -66.017 flat angles C4'-P-C4' energy: -72.674 flat angles P-C4'-P energy: -46.412 tors. eta vs tors. theta energy: -91.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1082.261416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.261416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.261416 (E_RNA) where: Base-Base interactions energy: -750.393 where: short stacking energy: -335.029 Base-Backbone interact. energy: 0.968 local terms energy: -332.836520 where: bonds (distance) C4'-P energy: -62.375 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -72.929 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -84.455 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: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1066.096474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.096474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.096474 (E_RNA) where: Base-Base interactions energy: -760.429 where: short stacking energy: -311.270 Base-Backbone interact. energy: -1.269 local terms energy: -304.398167 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -36.891 tors. eta vs tors. theta energy: -72.537 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: 364 Temperature: 1.200000 Total energy: -948.652697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.652697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.652697 (E_RNA) where: Base-Base interactions energy: -646.308 where: short stacking energy: -302.253 Base-Backbone interact. energy: -1.620 local terms energy: -300.724589 where: bonds (distance) C4'-P energy: -63.648 bonds (distance) P-C4' energy: -61.088 flat angles C4'-P-C4' energy: -60.543 flat angles P-C4'-P energy: -36.652 tors. eta vs tors. theta energy: -78.793 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: 8, replica: 3 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -897.878112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.878112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.878112 (E_RNA) where: Base-Base interactions energy: -621.322 where: short stacking energy: -263.455 Base-Backbone interact. energy: -0.897 local terms energy: -275.659339 where: bonds (distance) C4'-P energy: -60.171 bonds (distance) P-C4' energy: -59.613 flat angles C4'-P-C4' energy: -68.086 flat angles P-C4'-P energy: -38.672 tors. eta vs tors. theta energy: -49.118 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: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -564.677939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.677939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.677939 (E_RNA) where: Base-Base interactions energy: -329.744 where: short stacking energy: -168.236 Base-Backbone interact. energy: -0.990 local terms energy: -233.943317 where: bonds (distance) C4'-P energy: -60.405 bonds (distance) P-C4' energy: -54.909 flat angles C4'-P-C4' energy: -65.388 flat angles P-C4'-P energy: -30.489 tors. eta vs tors. theta energy: -22.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -451.462682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.462682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.462682 (E_RNA) where: Base-Base interactions energy: -269.063 where: short stacking energy: -141.069 Base-Backbone interact. energy: 2.890 local terms energy: -185.290082 where: bonds (distance) C4'-P energy: -48.326 bonds (distance) P-C4' energy: -54.226 flat angles C4'-P-C4' energy: -41.134 flat angles P-C4'-P energy: -35.013 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1319.401841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.401841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.401841 (E_RNA) where: Base-Base interactions energy: -913.127 where: short stacking energy: -373.648 Base-Backbone interact. energy: -0.115 local terms energy: -406.160140 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -80.658 flat angles C4'-P-C4' energy: -83.635 flat angles P-C4'-P energy: -58.788 tors. eta vs tors. theta energy: -116.635 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: 365 Temperature: 0.950000 Total energy: -1276.085143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.085143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.085143 (E_RNA) where: Base-Base interactions energy: -895.212 where: short stacking energy: -378.326 Base-Backbone interact. energy: -0.511 local terms energy: -380.362251 where: bonds (distance) C4'-P energy: -71.762 bonds (distance) P-C4' energy: -66.485 flat angles C4'-P-C4' energy: -81.900 flat angles P-C4'-P energy: -55.035 tors. eta vs tors. theta energy: -105.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1237.113271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.113271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.113271 (E_RNA) where: Base-Base interactions energy: -876.614 where: short stacking energy: -353.599 Base-Backbone interact. energy: -1.397 local terms energy: -359.102129 where: bonds (distance) C4'-P energy: -75.224 bonds (distance) P-C4' energy: -66.942 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -52.360 tors. eta vs tors. theta energy: -90.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1152.730008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.730008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.730008 (E_RNA) where: Base-Base interactions energy: -794.637 where: short stacking energy: -331.592 Base-Backbone interact. energy: -1.604 local terms energy: -356.488885 where: bonds (distance) C4'-P energy: -67.666 bonds (distance) P-C4' energy: -74.053 flat angles C4'-P-C4' energy: -80.908 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -84.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1123.418017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.418017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.418017 (E_RNA) where: Base-Base interactions energy: -785.510 where: short stacking energy: -347.041 Base-Backbone interact. energy: 3.739 local terms energy: -341.646432 where: bonds (distance) C4'-P energy: -64.187 bonds (distance) P-C4' energy: -60.744 flat angles C4'-P-C4' energy: -67.598 flat angles P-C4'-P energy: -50.122 tors. eta vs tors. theta energy: -98.996 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: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1036.321079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.321079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.321079 (E_RNA) where: Base-Base interactions energy: -740.581 where: short stacking energy: -306.328 Base-Backbone interact. energy: -0.194 local terms energy: -295.546474 where: bonds (distance) C4'-P energy: -59.474 bonds (distance) P-C4' energy: -53.398 flat angles C4'-P-C4' energy: -70.468 flat angles P-C4'-P energy: -48.345 tors. eta vs tors. theta energy: -63.862 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: 7, replica: 1 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -958.288984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.288984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.288984 (E_RNA) where: Base-Base interactions energy: -666.650 where: short stacking energy: -284.902 Base-Backbone interact. energy: -1.940 local terms energy: -289.698097 where: bonds (distance) C4'-P energy: -52.634 bonds (distance) P-C4' energy: -64.124 flat angles C4'-P-C4' energy: -65.684 flat angles P-C4'-P energy: -32.259 tors. eta vs tors. theta energy: -74.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -911.477897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.477897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.477897 (E_RNA) where: Base-Base interactions energy: -629.555 where: short stacking energy: -270.961 Base-Backbone interact. energy: -0.670 local terms energy: -281.252785 where: bonds (distance) C4'-P energy: -50.912 bonds (distance) P-C4' energy: -62.411 flat angles C4'-P-C4' energy: -70.857 flat angles P-C4'-P energy: -32.127 tors. eta vs tors. theta energy: -64.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -568.683475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.683475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.683475 (E_RNA) where: Base-Base interactions energy: -322.005 where: short stacking energy: -170.493 Base-Backbone interact. energy: 2.023 local terms energy: -248.701449 where: bonds (distance) C4'-P energy: -54.900 bonds (distance) P-C4' energy: -55.731 flat angles C4'-P-C4' energy: -58.289 flat angles P-C4'-P energy: -48.325 tors. eta vs tors. theta energy: -31.456 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: 365 Temperature: 1.350000 Total energy: -442.847877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.847877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.847877 (E_RNA) where: Base-Base interactions energy: -263.660 where: short stacking energy: -143.758 Base-Backbone interact. energy: 0.521 local terms energy: -179.708525 where: bonds (distance) C4'-P energy: -58.591 bonds (distance) P-C4' energy: -44.485 flat angles C4'-P-C4' energy: -46.931 flat angles P-C4'-P energy: -23.674 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1323.536441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.536441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.536441 (E_RNA) where: Base-Base interactions energy: -946.387 where: short stacking energy: -392.190 Base-Backbone interact. energy: -1.738 local terms energy: -375.412207 where: bonds (distance) C4'-P energy: -68.325 bonds (distance) P-C4' energy: -66.474 flat angles C4'-P-C4' energy: -74.805 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -113.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1270.196661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.196661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.196661 (E_RNA) where: Base-Base interactions energy: -903.493 where: short stacking energy: -378.247 Base-Backbone interact. energy: -1.261 local terms energy: -365.442633 where: bonds (distance) C4'-P energy: -62.989 bonds (distance) P-C4' energy: -69.324 flat angles C4'-P-C4' energy: -74.617 flat angles P-C4'-P energy: -52.463 tors. eta vs tors. theta energy: -106.050 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: 3, replica: 7 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1222.725973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.725973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.725973 (E_RNA) where: Base-Base interactions energy: -869.266 where: short stacking energy: -346.141 Base-Backbone interact. energy: -0.771 local terms energy: -352.689566 where: bonds (distance) C4'-P energy: -72.155 bonds (distance) P-C4' energy: -64.412 flat angles C4'-P-C4' energy: -69.547 flat angles P-C4'-P energy: -53.873 tors. eta vs tors. theta energy: -92.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1123.771399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.771399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.771399 (E_RNA) where: Base-Base interactions energy: -787.387 where: short stacking energy: -343.456 Base-Backbone interact. energy: -1.011 local terms energy: -335.373306 where: bonds (distance) C4'-P energy: -71.015 bonds (distance) P-C4' energy: -64.434 flat angles C4'-P-C4' energy: -74.316 flat angles P-C4'-P energy: -38.421 tors. eta vs tors. theta energy: -87.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1151.419379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.419379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.419379 (E_RNA) where: Base-Base interactions energy: -802.850 where: short stacking energy: -335.632 Base-Backbone interact. energy: -0.799 local terms energy: -347.770326 where: bonds (distance) C4'-P energy: -73.086 bonds (distance) P-C4' energy: -56.771 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -52.175 tors. eta vs tors. theta energy: -90.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1041.522465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.522465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.522465 (E_RNA) where: Base-Base interactions energy: -725.042 where: short stacking energy: -294.355 Base-Backbone interact. energy: -1.551 local terms energy: -314.929832 where: bonds (distance) C4'-P energy: -56.888 bonds (distance) P-C4' energy: -64.685 flat angles C4'-P-C4' energy: -67.255 flat angles P-C4'-P energy: -46.969 tors. eta vs tors. theta energy: -79.133 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: 1 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -951.494285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.494285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.494285 (E_RNA) where: Base-Base interactions energy: -637.498 where: short stacking energy: -291.134 Base-Backbone interact. energy: 0.240 local terms energy: -314.235857 where: bonds (distance) C4'-P energy: -60.163 bonds (distance) P-C4' energy: -65.287 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -76.346 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: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -904.845989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.845989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.845989 (E_RNA) where: Base-Base interactions energy: -603.521 where: short stacking energy: -252.336 Base-Backbone interact. energy: -2.142 local terms energy: -299.183455 where: bonds (distance) C4'-P energy: -53.956 bonds (distance) P-C4' energy: -70.981 flat angles C4'-P-C4' energy: -66.273 flat angles P-C4'-P energy: -46.941 tors. eta vs tors. theta energy: -61.032 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: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -503.350296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.350296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.350296 (E_RNA) where: Base-Base interactions energy: -281.858 where: short stacking energy: -147.485 Base-Backbone interact. energy: 4.168 local terms energy: -225.659499 where: bonds (distance) C4'-P energy: -52.170 bonds (distance) P-C4' energy: -63.579 flat angles C4'-P-C4' energy: -60.854 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -11.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -567.531281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.531281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.531281 (E_RNA) where: Base-Base interactions energy: -373.772 where: short stacking energy: -181.635 Base-Backbone interact. energy: 1.046 local terms energy: -194.805428 where: bonds (distance) C4'-P energy: -46.795 bonds (distance) P-C4' energy: -56.586 flat angles C4'-P-C4' energy: -41.983 flat angles P-C4'-P energy: -21.344 tors. eta vs tors. theta energy: -28.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1356.264251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.264251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.264251 (E_RNA) where: Base-Base interactions energy: -961.410 where: short stacking energy: -399.520 Base-Backbone interact. energy: 0.016 local terms energy: -394.869740 where: bonds (distance) C4'-P energy: -69.998 bonds (distance) P-C4' energy: -68.448 flat angles C4'-P-C4' energy: -75.767 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -124.718 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: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1247.435716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.435716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.435716 (E_RNA) where: Base-Base interactions energy: -867.009 where: short stacking energy: -360.851 Base-Backbone interact. energy: -1.148 local terms energy: -379.278437 where: bonds (distance) C4'-P energy: -66.629 bonds (distance) P-C4' energy: -75.922 flat angles C4'-P-C4' energy: -78.895 flat angles P-C4'-P energy: -48.714 tors. eta vs tors. theta energy: -109.118 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: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1218.206670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.206670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.206670 (E_RNA) where: Base-Base interactions energy: -877.536 where: short stacking energy: -357.481 Base-Backbone interact. energy: 7.305 local terms energy: -347.975761 where: bonds (distance) C4'-P energy: -60.926 bonds (distance) P-C4' energy: -69.505 flat angles C4'-P-C4' energy: -81.215 flat angles P-C4'-P energy: -45.782 tors. eta vs tors. theta energy: -90.547 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: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1164.565670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.565670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.565670 (E_RNA) where: Base-Base interactions energy: -824.591 where: short stacking energy: -364.520 Base-Backbone interact. energy: -0.823 local terms energy: -339.151772 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -60.611 flat angles C4'-P-C4' energy: -75.100 flat angles P-C4'-P energy: -50.331 tors. eta vs tors. theta energy: -94.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1121.760193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.760193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.760193 (E_RNA) where: Base-Base interactions energy: -795.262 where: short stacking energy: -312.097 Base-Backbone interact. energy: -1.357 local terms energy: -325.140763 where: bonds (distance) C4'-P energy: -56.578 bonds (distance) P-C4' energy: -72.456 flat angles C4'-P-C4' energy: -66.588 flat angles P-C4'-P energy: -46.917 tors. eta vs tors. theta energy: -82.601 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: 6, replica: 6 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1030.619616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.619616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.619616 (E_RNA) where: Base-Base interactions energy: -704.634 where: short stacking energy: -269.998 Base-Backbone interact. energy: -1.416 local terms energy: -324.570314 where: bonds (distance) C4'-P energy: -67.199 bonds (distance) P-C4' energy: -68.050 flat angles C4'-P-C4' energy: -78.097 flat angles P-C4'-P energy: -42.426 tors. eta vs tors. theta energy: -68.799 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: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -925.916349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.916349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.916349 (E_RNA) where: Base-Base interactions energy: -630.149 where: short stacking energy: -289.897 Base-Backbone interact. energy: -0.517 local terms energy: -295.251024 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -71.775 flat angles P-C4'-P energy: -46.130 tors. eta vs tors. theta energy: -70.220 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: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -883.688918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.688918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.688918 (E_RNA) where: Base-Base interactions energy: -595.827 where: short stacking energy: -264.821 Base-Backbone interact. energy: -2.182 local terms energy: -285.679498 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -60.254 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -34.183 tors. eta vs tors. theta energy: -75.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -513.486204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.486204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.486204 (E_RNA) where: Base-Base interactions energy: -308.377 where: short stacking energy: -138.894 Base-Backbone interact. energy: -1.985 local terms energy: -203.124814 where: bonds (distance) C4'-P energy: -67.538 bonds (distance) P-C4' energy: -70.724 flat angles C4'-P-C4' energy: -45.376 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -9.697 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: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -568.814178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.814178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.814178 (E_RNA) where: Base-Base interactions energy: -352.810 where: short stacking energy: -170.973 Base-Backbone interact. energy: -1.336 local terms energy: -214.667446 where: bonds (distance) C4'-P energy: -60.514 bonds (distance) P-C4' energy: -44.503 flat angles C4'-P-C4' energy: -66.455 flat angles P-C4'-P energy: -25.428 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1341.470598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.470598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.470598 (E_RNA) where: Base-Base interactions energy: -959.749 where: short stacking energy: -396.573 Base-Backbone interact. energy: -0.596 local terms energy: -381.125450 where: bonds (distance) C4'-P energy: -70.268 bonds (distance) P-C4' energy: -73.332 flat angles C4'-P-C4' energy: -74.130 flat angles P-C4'-P energy: -57.582 tors. eta vs tors. theta energy: -105.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1249.904364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.904364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.904364 (E_RNA) where: Base-Base interactions energy: -888.095 where: short stacking energy: -385.306 Base-Backbone interact. energy: -1.317 local terms energy: -360.492488 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -61.266 flat angles C4'-P-C4' energy: -77.223 flat angles P-C4'-P energy: -55.391 tors. eta vs tors. theta energy: -107.948 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: 7 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1203.911262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.911262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.911262 (E_RNA) where: Base-Base interactions energy: -848.639 where: short stacking energy: -337.292 Base-Backbone interact. energy: 0.066 local terms energy: -355.337794 where: bonds (distance) C4'-P energy: -68.655 bonds (distance) P-C4' energy: -71.941 flat angles C4'-P-C4' energy: -75.490 flat angles P-C4'-P energy: -53.118 tors. eta vs tors. theta energy: -86.134 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: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1148.957528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.957528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.957528 (E_RNA) where: Base-Base interactions energy: -810.438 where: short stacking energy: -349.787 Base-Backbone interact. energy: -0.492 local terms energy: -338.027924 where: bonds (distance) C4'-P energy: -61.007 bonds (distance) P-C4' energy: -65.815 flat angles C4'-P-C4' energy: -71.995 flat angles P-C4'-P energy: -51.443 tors. eta vs tors. theta energy: -87.769 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: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1122.465531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.465531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.465531 (E_RNA) where: Base-Base interactions energy: -807.304 where: short stacking energy: -336.257 Base-Backbone interact. energy: -1.811 local terms energy: -313.350587 where: bonds (distance) C4'-P energy: -57.578 bonds (distance) P-C4' energy: -67.750 flat angles C4'-P-C4' energy: -61.559 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -82.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1046.035753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.035753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.035753 (E_RNA) where: Base-Base interactions energy: -738.107 where: short stacking energy: -314.082 Base-Backbone interact. energy: -1.645 local terms energy: -306.284314 where: bonds (distance) C4'-P energy: -48.605 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -68.018 flat angles P-C4'-P energy: -44.467 tors. eta vs tors. theta energy: -80.739 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: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -904.678166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.678166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.678166 (E_RNA) where: Base-Base interactions energy: -627.287 where: short stacking energy: -267.884 Base-Backbone interact. energy: 4.169 local terms energy: -281.560716 where: bonds (distance) C4'-P energy: -63.866 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -65.553 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -53.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -897.512150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.512150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.512150 (E_RNA) where: Base-Base interactions energy: -613.316 where: short stacking energy: -261.830 Base-Backbone interact. energy: 0.150 local terms energy: -284.345661 where: bonds (distance) C4'-P energy: -53.970 bonds (distance) P-C4' energy: -63.104 flat angles C4'-P-C4' energy: -59.253 flat angles P-C4'-P energy: -30.893 tors. eta vs tors. theta energy: -77.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -582.128115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.128115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.128115 (E_RNA) where: Base-Base interactions energy: -339.157 where: short stacking energy: -193.520 Base-Backbone interact. energy: 1.412 local terms energy: -244.382903 where: bonds (distance) C4'-P energy: -70.485 bonds (distance) P-C4' energy: -55.935 flat angles C4'-P-C4' energy: -51.156 flat angles P-C4'-P energy: -37.519 tors. eta vs tors. theta energy: -29.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -511.495749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.495749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.495749 (E_RNA) where: Base-Base interactions energy: -306.757 where: short stacking energy: -151.818 Base-Backbone interact. energy: 0.829 local terms energy: -205.568383 where: bonds (distance) C4'-P energy: -54.512 bonds (distance) P-C4' energy: -58.921 flat angles C4'-P-C4' energy: -48.139 flat angles P-C4'-P energy: -33.758 tors. eta vs tors. theta energy: -10.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1327.176214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.176214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.176214 (E_RNA) where: Base-Base interactions energy: -940.425 where: short stacking energy: -387.506 Base-Backbone interact. energy: -0.714 local terms energy: -386.037301 where: bonds (distance) C4'-P energy: -62.355 bonds (distance) P-C4' energy: -71.663 flat angles C4'-P-C4' energy: -81.935 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -109.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1279.210784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.210784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.210784 (E_RNA) where: Base-Base interactions energy: -909.699 where: short stacking energy: -398.762 Base-Backbone interact. energy: -1.360 local terms energy: -368.152106 where: bonds (distance) C4'-P energy: -59.776 bonds (distance) P-C4' energy: -64.388 flat angles C4'-P-C4' energy: -81.619 flat angles P-C4'-P energy: -49.908 tors. eta vs tors. theta energy: -112.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1202.934896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.934896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.934896 (E_RNA) where: Base-Base interactions energy: -856.946 where: short stacking energy: -351.019 Base-Backbone interact. energy: -1.728 local terms energy: -344.261450 where: bonds (distance) C4'-P energy: -59.281 bonds (distance) P-C4' energy: -62.748 flat angles C4'-P-C4' energy: -77.250 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -94.625 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: 4, replica: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1156.959428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.959428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.959428 (E_RNA) where: Base-Base interactions energy: -811.187 where: short stacking energy: -349.527 Base-Backbone interact. energy: -1.925 local terms energy: -343.846941 where: bonds (distance) C4'-P energy: -70.877 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -50.469 tors. eta vs tors. theta energy: -94.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1118.065615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.065615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.065615 (E_RNA) where: Base-Base interactions energy: -787.732 where: short stacking energy: -356.313 Base-Backbone interact. energy: 1.808 local terms energy: -332.141219 where: bonds (distance) C4'-P energy: -59.388 bonds (distance) P-C4' energy: -65.222 flat angles C4'-P-C4' energy: -73.055 flat angles P-C4'-P energy: -44.136 tors. eta vs tors. theta energy: -90.339 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: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -973.672061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.672061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.672061 (E_RNA) where: Base-Base interactions energy: -671.386 where: short stacking energy: -300.658 Base-Backbone interact. energy: -0.734 local terms energy: -301.551707 where: bonds (distance) C4'-P energy: -67.153 bonds (distance) P-C4' energy: -50.594 flat angles C4'-P-C4' energy: -66.847 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -75.902 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: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1006.357550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.357550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.357550 (E_RNA) where: Base-Base interactions energy: -709.631 where: short stacking energy: -293.265 Base-Backbone interact. energy: 1.289 local terms energy: -298.016262 where: bonds (distance) C4'-P energy: -51.162 bonds (distance) P-C4' energy: -52.401 flat angles C4'-P-C4' energy: -70.544 flat angles P-C4'-P energy: -47.533 tors. eta vs tors. theta energy: -76.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -941.641723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.641723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.641723 (E_RNA) where: Base-Base interactions energy: -645.801 where: short stacking energy: -292.256 Base-Backbone interact. energy: -0.576 local terms energy: -295.264637 where: bonds (distance) C4'-P energy: -52.705 bonds (distance) P-C4' energy: -59.195 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -53.745 tors. eta vs tors. theta energy: -74.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -558.605373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.605373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.605373 (E_RNA) where: Base-Base interactions energy: -338.582 where: short stacking energy: -173.511 Base-Backbone interact. energy: 2.817 local terms energy: -222.840402 where: bonds (distance) C4'-P energy: -49.574 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -17.588 tors. eta vs tors. theta energy: -32.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -601.996664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.996664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.996664 (E_RNA) where: Base-Base interactions energy: -354.202 where: short stacking energy: -202.775 Base-Backbone interact. energy: 0.584 local terms energy: -248.378812 where: bonds (distance) C4'-P energy: -55.112 bonds (distance) P-C4' energy: -64.885 flat angles C4'-P-C4' energy: -50.009 flat angles P-C4'-P energy: -40.026 tors. eta vs tors. theta energy: -38.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1321.686834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.686834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.686834 (E_RNA) where: Base-Base interactions energy: -942.662 where: short stacking energy: -382.123 Base-Backbone interact. energy: -1.792 local terms energy: -377.233105 where: bonds (distance) C4'-P energy: -68.498 bonds (distance) P-C4' energy: -67.154 flat angles C4'-P-C4' energy: -76.315 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -114.044 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: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1311.489786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.489786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.489786 (E_RNA) where: Base-Base interactions energy: -922.707 where: short stacking energy: -400.036 Base-Backbone interact. energy: 1.834 local terms energy: -390.616428 where: bonds (distance) C4'-P energy: -57.479 bonds (distance) P-C4' energy: -80.230 flat angles C4'-P-C4' energy: -78.458 flat angles P-C4'-P energy: -58.121 tors. eta vs tors. theta energy: -116.330 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: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1185.113444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.113444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.113444 (E_RNA) where: Base-Base interactions energy: -816.781 where: short stacking energy: -359.251 Base-Backbone interact. energy: -0.859 local terms energy: -367.472915 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -69.071 flat angles C4'-P-C4' energy: -80.552 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -100.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1177.399209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.399209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.399209 (E_RNA) where: Base-Base interactions energy: -835.634 where: short stacking energy: -329.579 Base-Backbone interact. energy: 3.087 local terms energy: -344.852445 where: bonds (distance) C4'-P energy: -61.591 bonds (distance) P-C4' energy: -75.485 flat angles C4'-P-C4' energy: -66.132 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -86.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1118.074227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.074227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.074227 (E_RNA) where: Base-Base interactions energy: -793.256 where: short stacking energy: -337.537 Base-Backbone interact. energy: 2.270 local terms energy: -327.087567 where: bonds (distance) C4'-P energy: -57.901 bonds (distance) P-C4' energy: -50.480 flat angles C4'-P-C4' energy: -68.372 flat angles P-C4'-P energy: -50.707 tors. eta vs tors. theta energy: -99.627 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: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1070.404311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.404311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.404311 (E_RNA) where: Base-Base interactions energy: -734.900 where: short stacking energy: -339.495 Base-Backbone interact. energy: -1.163 local terms energy: -334.341859 where: bonds (distance) C4'-P energy: -58.920 bonds (distance) P-C4' energy: -68.417 flat angles C4'-P-C4' energy: -74.053 flat angles P-C4'-P energy: -46.477 tors. eta vs tors. theta energy: -86.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -968.915129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.915129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.915129 (E_RNA) where: Base-Base interactions energy: -663.757 where: short stacking energy: -283.424 Base-Backbone interact. energy: 0.362 local terms energy: -305.520523 where: bonds (distance) C4'-P energy: -63.247 bonds (distance) P-C4' energy: -69.469 flat angles C4'-P-C4' energy: -64.240 flat angles P-C4'-P energy: -32.571 tors. eta vs tors. theta energy: -75.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -966.284767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.284767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.284767 (E_RNA) where: Base-Base interactions energy: -654.106 where: short stacking energy: -291.793 Base-Backbone interact. energy: -0.493 local terms energy: -311.684895 where: bonds (distance) C4'-P energy: -70.640 bonds (distance) P-C4' energy: -53.490 flat angles C4'-P-C4' energy: -64.362 flat angles P-C4'-P energy: -57.294 tors. eta vs tors. theta energy: -65.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -571.877934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.877934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.877934 (E_RNA) where: Base-Base interactions energy: -345.369 where: short stacking energy: -162.116 Base-Backbone interact. energy: -3.038 local terms energy: -223.471446 where: bonds (distance) C4'-P energy: -59.114 bonds (distance) P-C4' energy: -42.598 flat angles C4'-P-C4' energy: -56.557 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -24.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -499.399154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.399154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.399154 (E_RNA) where: Base-Base interactions energy: -297.306 where: short stacking energy: -142.224 Base-Backbone interact. energy: 2.286 local terms energy: -204.378928 where: bonds (distance) C4'-P energy: -42.506 bonds (distance) P-C4' energy: -68.894 flat angles C4'-P-C4' energy: -63.050 flat angles P-C4'-P energy: -24.417 tors. eta vs tors. theta energy: -5.512 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: 1, replica: 4 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1325.359886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.359886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.359886 (E_RNA) where: Base-Base interactions energy: -944.749 where: short stacking energy: -391.900 Base-Backbone interact. energy: -1.658 local terms energy: -378.953452 where: bonds (distance) C4'-P energy: -72.168 bonds (distance) P-C4' energy: -73.318 flat angles C4'-P-C4' energy: -75.168 flat angles P-C4'-P energy: -44.510 tors. eta vs tors. theta energy: -113.789 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: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1270.981674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.981674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.981674 (E_RNA) where: Base-Base interactions energy: -889.138 where: short stacking energy: -388.044 Base-Backbone interact. energy: 0.923 local terms energy: -382.766798 where: bonds (distance) C4'-P energy: -72.013 bonds (distance) P-C4' energy: -76.780 flat angles C4'-P-C4' energy: -78.028 flat angles P-C4'-P energy: -51.712 tors. eta vs tors. theta energy: -104.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1197.683677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.683677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.683677 (E_RNA) where: Base-Base interactions energy: -849.036 where: short stacking energy: -355.737 Base-Backbone interact. energy: -1.372 local terms energy: -347.275232 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -61.412 flat angles C4'-P-C4' energy: -75.792 flat angles P-C4'-P energy: -56.380 tors. eta vs tors. theta energy: -96.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1190.907664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.907664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.907664 (E_RNA) where: Base-Base interactions energy: -861.281 where: short stacking energy: -334.024 Base-Backbone interact. energy: -0.318 local terms energy: -329.308217 where: bonds (distance) C4'-P energy: -67.211 bonds (distance) P-C4' energy: -52.405 flat angles C4'-P-C4' energy: -73.228 flat angles P-C4'-P energy: -42.754 tors. eta vs tors. theta energy: -93.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1112.724501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.724501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.724501 (E_RNA) where: Base-Base interactions energy: -778.757 where: short stacking energy: -322.859 Base-Backbone interact. energy: -1.277 local terms energy: -332.690520 where: bonds (distance) C4'-P energy: -58.692 bonds (distance) P-C4' energy: -73.051 flat angles C4'-P-C4' energy: -68.835 flat angles P-C4'-P energy: -49.434 tors. eta vs tors. theta energy: -82.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1042.815365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.815365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.815365 (E_RNA) where: Base-Base interactions energy: -724.739 where: short stacking energy: -309.635 Base-Backbone interact. energy: -0.688 local terms energy: -317.388412 where: bonds (distance) C4'-P energy: -56.256 bonds (distance) P-C4' energy: -68.006 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -76.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -962.577697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.577697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.577697 (E_RNA) where: Base-Base interactions energy: -657.407 where: short stacking energy: -266.124 Base-Backbone interact. energy: -0.513 local terms energy: -304.658060 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -63.506 flat angles C4'-P-C4' energy: -75.699 flat angles P-C4'-P energy: -33.143 tors. eta vs tors. theta energy: -60.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -925.792706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.792706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.792706 (E_RNA) where: Base-Base interactions energy: -626.820 where: short stacking energy: -294.841 Base-Backbone interact. energy: -0.027 local terms energy: -298.945911 where: bonds (distance) C4'-P energy: -61.353 bonds (distance) P-C4' energy: -46.847 flat angles C4'-P-C4' energy: -58.842 flat angles P-C4'-P energy: -52.939 tors. eta vs tors. theta energy: -78.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -608.810343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.810343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.810343 (E_RNA) where: Base-Base interactions energy: -381.391 where: short stacking energy: -171.017 Base-Backbone interact. energy: 0.166 local terms energy: -227.585445 where: bonds (distance) C4'-P energy: -60.593 bonds (distance) P-C4' energy: -50.943 flat angles C4'-P-C4' energy: -47.664 flat angles P-C4'-P energy: -38.049 tors. eta vs tors. theta energy: -30.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -461.196280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.196280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.196280 (E_RNA) where: Base-Base interactions energy: -264.446 where: short stacking energy: -156.203 Base-Backbone interact. energy: -1.852 local terms energy: -194.898377 where: bonds (distance) C4'-P energy: -46.488 bonds (distance) P-C4' energy: -61.317 flat angles C4'-P-C4' energy: -51.291 flat angles P-C4'-P energy: -25.116 tors. eta vs tors. theta energy: -10.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1297.616292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.616292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.616292 (E_RNA) where: Base-Base interactions energy: -905.869 where: short stacking energy: -383.911 Base-Backbone interact. energy: 1.677 local terms energy: -393.424495 where: bonds (distance) C4'-P energy: -73.840 bonds (distance) P-C4' energy: -75.789 flat angles C4'-P-C4' energy: -80.025 flat angles P-C4'-P energy: -57.907 tors. eta vs tors. theta energy: -105.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1316.193456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.193456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.193456 (E_RNA) where: Base-Base interactions energy: -948.835 where: short stacking energy: -399.782 Base-Backbone interact. energy: -1.113 local terms energy: -366.245963 where: bonds (distance) C4'-P energy: -63.997 bonds (distance) P-C4' energy: -66.378 flat angles C4'-P-C4' energy: -74.049 flat angles P-C4'-P energy: -45.372 tors. eta vs tors. theta energy: -116.451 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: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1193.496808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.496808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.496808 (E_RNA) where: Base-Base interactions energy: -822.156 where: short stacking energy: -352.420 Base-Backbone interact. energy: -0.596 local terms energy: -370.744768 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -75.911 flat angles P-C4'-P energy: -53.682 tors. eta vs tors. theta energy: -100.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1178.617876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.617876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.617876 (E_RNA) where: Base-Base interactions energy: -855.529 where: short stacking energy: -331.116 Base-Backbone interact. energy: 4.415 local terms energy: -327.503867 where: bonds (distance) C4'-P energy: -56.052 bonds (distance) P-C4' energy: -61.755 flat angles C4'-P-C4' energy: -73.102 flat angles P-C4'-P energy: -55.672 tors. eta vs tors. theta energy: -80.923 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: 372 Temperature: 1.100000 Total energy: -1102.635707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.635707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.635707 (E_RNA) where: Base-Base interactions energy: -782.559 where: short stacking energy: -315.043 Base-Backbone interact. energy: 1.754 local terms energy: -321.830775 where: bonds (distance) C4'-P energy: -63.774 bonds (distance) P-C4' energy: -54.170 flat angles C4'-P-C4' energy: -65.201 flat angles P-C4'-P energy: -46.524 tors. eta vs tors. theta energy: -92.162 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: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1021.294184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.294184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.294184 (E_RNA) where: Base-Base interactions energy: -716.792 where: short stacking energy: -313.235 Base-Backbone interact. energy: -0.193 local terms energy: -304.309421 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -67.057 flat angles C4'-P-C4' energy: -62.481 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -84.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -945.131901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.131901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.131901 (E_RNA) where: Base-Base interactions energy: -655.316 where: short stacking energy: -264.647 Base-Backbone interact. energy: 0.636 local terms energy: -290.452458 where: bonds (distance) C4'-P energy: -43.648 bonds (distance) P-C4' energy: -72.112 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -40.853 tors. eta vs tors. theta energy: -70.973 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: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -909.393608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.393608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.393608 (E_RNA) where: Base-Base interactions energy: -598.249 where: short stacking energy: -274.831 Base-Backbone interact. energy: -2.260 local terms energy: -308.884198 where: bonds (distance) C4'-P energy: -53.815 bonds (distance) P-C4' energy: -65.258 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -47.340 tors. eta vs tors. theta energy: -70.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -689.192370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.192370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.192370 (E_RNA) where: Base-Base interactions energy: -444.144 where: short stacking energy: -218.048 Base-Backbone interact. energy: 0.478 local terms energy: -245.526354 where: bonds (distance) C4'-P energy: -46.037 bonds (distance) P-C4' energy: -50.195 flat angles C4'-P-C4' energy: -59.722 flat angles P-C4'-P energy: -38.676 tors. eta vs tors. theta energy: -50.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -472.072298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.072298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.072298 (E_RNA) where: Base-Base interactions energy: -254.459 where: short stacking energy: -117.962 Base-Backbone interact. energy: 1.637 local terms energy: -219.249849 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -66.046 flat angles C4'-P-C4' energy: -59.203 flat angles P-C4'-P energy: -19.259 tors. eta vs tors. theta energy: -8.992 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: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1310.111247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.111247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.111247 (E_RNA) where: Base-Base interactions energy: -913.501 where: short stacking energy: -389.269 Base-Backbone interact. energy: -0.771 local terms energy: -395.838401 where: bonds (distance) C4'-P energy: -71.005 bonds (distance) P-C4' energy: -73.741 flat angles C4'-P-C4' energy: -83.887 flat angles P-C4'-P energy: -54.022 tors. eta vs tors. theta energy: -113.185 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: 373 Temperature: 0.950000 Total energy: -1292.285386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.285386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.285386 (E_RNA) where: Base-Base interactions energy: -914.671 where: short stacking energy: -361.718 Base-Backbone interact. energy: 2.698 local terms energy: -380.312532 where: bonds (distance) C4'-P energy: -68.862 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -79.647 flat angles P-C4'-P energy: -53.783 tors. eta vs tors. theta energy: -102.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1177.247771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.247771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.247771 (E_RNA) where: Base-Base interactions energy: -835.093 where: short stacking energy: -354.510 Base-Backbone interact. energy: 0.533 local terms energy: -342.688566 where: bonds (distance) C4'-P energy: -52.896 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -75.978 flat angles P-C4'-P energy: -55.221 tors. eta vs tors. theta energy: -92.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1190.280016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.280016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.280016 (E_RNA) where: Base-Base interactions energy: -834.546 where: short stacking energy: -347.336 Base-Backbone interact. energy: -1.744 local terms energy: -353.990206 where: bonds (distance) C4'-P energy: -65.932 bonds (distance) P-C4' energy: -66.489 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -52.144 tors. eta vs tors. theta energy: -92.113 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: 373 Temperature: 1.100000 Total energy: -1089.371997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.371997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.371997 (E_RNA) where: Base-Base interactions energy: -752.487 where: short stacking energy: -315.052 Base-Backbone interact. energy: -0.990 local terms energy: -335.894108 where: bonds (distance) C4'-P energy: -59.952 bonds (distance) P-C4' energy: -67.339 flat angles C4'-P-C4' energy: -74.900 flat angles P-C4'-P energy: -54.593 tors. eta vs tors. theta energy: -79.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1047.915679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.915679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.915679 (E_RNA) where: Base-Base interactions energy: -737.261 where: short stacking energy: -326.381 Base-Backbone interact. energy: -0.817 local terms energy: -309.837737 where: bonds (distance) C4'-P energy: -51.124 bonds (distance) P-C4' energy: -50.598 flat angles C4'-P-C4' energy: -80.378 flat angles P-C4'-P energy: -41.939 tors. eta vs tors. theta energy: -85.800 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: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -996.458170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.458170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.458170 (E_RNA) where: Base-Base interactions energy: -684.267 where: short stacking energy: -296.471 Base-Backbone interact. energy: -1.616 local terms energy: -310.575032 where: bonds (distance) C4'-P energy: -62.034 bonds (distance) P-C4' energy: -61.704 flat angles C4'-P-C4' energy: -69.760 flat angles P-C4'-P energy: -48.790 tors. eta vs tors. theta energy: -68.286 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: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -908.851287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.851287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.851287 (E_RNA) where: Base-Base interactions energy: -605.115 where: short stacking energy: -242.146 Base-Backbone interact. energy: -0.590 local terms energy: -303.146162 where: bonds (distance) C4'-P energy: -57.240 bonds (distance) P-C4' energy: -72.817 flat angles C4'-P-C4' energy: -60.244 flat angles P-C4'-P energy: -36.484 tors. eta vs tors. theta energy: -76.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -701.332974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.332974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.332974 (E_RNA) where: Base-Base interactions energy: -459.655 where: short stacking energy: -214.254 Base-Backbone interact. energy: -1.619 local terms energy: -240.059524 where: bonds (distance) C4'-P energy: -44.919 bonds (distance) P-C4' energy: -59.657 flat angles C4'-P-C4' energy: -67.775 flat angles P-C4'-P energy: -23.724 tors. eta vs tors. theta energy: -43.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -495.960228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.960228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.960228 (E_RNA) where: Base-Base interactions energy: -267.822 where: short stacking energy: -146.090 Base-Backbone interact. energy: -0.964 local terms energy: -227.174741 where: bonds (distance) C4'-P energy: -57.466 bonds (distance) P-C4' energy: -63.450 flat angles C4'-P-C4' energy: -59.841 flat angles P-C4'-P energy: -37.697 tors. eta vs tors. theta energy: -8.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1329.034734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.034734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.034734 (E_RNA) where: Base-Base interactions energy: -939.277 where: short stacking energy: -399.136 Base-Backbone interact. energy: -0.294 local terms energy: -389.463474 where: bonds (distance) C4'-P energy: -69.493 bonds (distance) P-C4' energy: -75.262 flat angles C4'-P-C4' energy: -77.436 flat angles P-C4'-P energy: -52.096 tors. eta vs tors. theta energy: -115.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1304.150678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.150678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.150678 (E_RNA) where: Base-Base interactions energy: -928.082 where: short stacking energy: -380.248 Base-Backbone interact. energy: -1.615 local terms energy: -374.453995 where: bonds (distance) C4'-P energy: -75.501 bonds (distance) P-C4' energy: -69.754 flat angles C4'-P-C4' energy: -70.773 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -105.015 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: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1187.529521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.529521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.529521 (E_RNA) where: Base-Base interactions energy: -859.367 where: short stacking energy: -351.424 Base-Backbone interact. energy: -2.335 local terms energy: -325.827281 where: bonds (distance) C4'-P energy: -70.011 bonds (distance) P-C4' energy: -56.486 flat angles C4'-P-C4' energy: -75.319 flat angles P-C4'-P energy: -43.835 tors. eta vs tors. theta energy: -80.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1141.770298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.770298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.770298 (E_RNA) where: Base-Base interactions energy: -805.976 where: short stacking energy: -330.411 Base-Backbone interact. energy: -1.076 local terms energy: -334.718904 where: bonds (distance) C4'-P energy: -59.567 bonds (distance) P-C4' energy: -67.655 flat angles C4'-P-C4' energy: -78.810 flat angles P-C4'-P energy: -42.365 tors. eta vs tors. theta energy: -86.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1105.504168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.504168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.504168 (E_RNA) where: Base-Base interactions energy: -792.281 where: short stacking energy: -328.734 Base-Backbone interact. energy: -1.466 local terms energy: -311.756626 where: bonds (distance) C4'-P energy: -55.180 bonds (distance) P-C4' energy: -46.995 flat angles C4'-P-C4' energy: -77.198 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: -78.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1059.565115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.565115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.565115 (E_RNA) where: Base-Base interactions energy: -742.737 where: short stacking energy: -312.617 Base-Backbone interact. energy: -0.852 local terms energy: -315.976672 where: bonds (distance) C4'-P energy: -58.005 bonds (distance) P-C4' energy: -61.525 flat angles C4'-P-C4' energy: -66.375 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -84.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -959.591374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.591374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.591374 (E_RNA) where: Base-Base interactions energy: -663.742 where: short stacking energy: -275.174 Base-Backbone interact. energy: -2.204 local terms energy: -293.644682 where: bonds (distance) C4'-P energy: -66.284 bonds (distance) P-C4' energy: -62.470 flat angles C4'-P-C4' energy: -60.808 flat angles P-C4'-P energy: -43.054 tors. eta vs tors. theta energy: -61.028 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: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -883.254125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.254125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.254125 (E_RNA) where: Base-Base interactions energy: -601.503 where: short stacking energy: -246.816 Base-Backbone interact. energy: 7.471 local terms energy: -289.221578 where: bonds (distance) C4'-P energy: -62.868 bonds (distance) P-C4' energy: -54.906 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -39.677 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: 9, replica: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -691.544035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.544035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.544035 (E_RNA) where: Base-Base interactions energy: -455.990 where: short stacking energy: -208.987 Base-Backbone interact. energy: -0.082 local terms energy: -235.471705 where: bonds (distance) C4'-P energy: -51.765 bonds (distance) P-C4' energy: -65.953 flat angles C4'-P-C4' energy: -50.175 flat angles P-C4'-P energy: -30.649 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: 374 Temperature: 1.350000 Total energy: -470.050498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.050498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.050498 (E_RNA) where: Base-Base interactions energy: -247.315 where: short stacking energy: -146.017 Base-Backbone interact. energy: -1.209 local terms energy: -221.526277 where: bonds (distance) C4'-P energy: -57.100 bonds (distance) P-C4' energy: -58.266 flat angles C4'-P-C4' energy: -58.859 flat angles P-C4'-P energy: -33.930 tors. eta vs tors. theta energy: -13.371 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: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1308.541652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.541652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.541652 (E_RNA) where: Base-Base interactions energy: -913.587 where: short stacking energy: -399.302 Base-Backbone interact. energy: -0.345 local terms energy: -394.609703 where: bonds (distance) C4'-P energy: -68.081 bonds (distance) P-C4' energy: -74.639 flat angles C4'-P-C4' energy: -77.672 flat angles P-C4'-P energy: -55.063 tors. eta vs tors. theta energy: -119.156 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: 4 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1310.464618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.464618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.464618 (E_RNA) where: Base-Base interactions energy: -947.870 where: short stacking energy: -389.800 Base-Backbone interact. energy: 1.665 local terms energy: -364.259699 where: bonds (distance) C4'-P energy: -68.156 bonds (distance) P-C4' energy: -60.025 flat angles C4'-P-C4' energy: -72.256 flat angles P-C4'-P energy: -55.230 tors. eta vs tors. theta energy: -108.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1211.495703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.495703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.495703 (E_RNA) where: Base-Base interactions energy: -872.025 where: short stacking energy: -347.580 Base-Backbone interact. energy: -0.403 local terms energy: -339.067490 where: bonds (distance) C4'-P energy: -61.310 bonds (distance) P-C4' energy: -59.624 flat angles C4'-P-C4' energy: -68.471 flat angles P-C4'-P energy: -53.240 tors. eta vs tors. theta energy: -96.423 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: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1151.355509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.355509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.355509 (E_RNA) where: Base-Base interactions energy: -792.250 where: short stacking energy: -339.624 Base-Backbone interact. energy: 0.094 local terms energy: -359.198691 where: bonds (distance) C4'-P energy: -68.200 bonds (distance) P-C4' energy: -73.583 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -49.716 tors. eta vs tors. theta energy: -92.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1084.042833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.042833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.042833 (E_RNA) where: Base-Base interactions energy: -783.240 where: short stacking energy: -304.349 Base-Backbone interact. energy: 1.010 local terms energy: -301.813449 where: bonds (distance) C4'-P energy: -70.855 bonds (distance) P-C4' energy: -55.796 flat angles C4'-P-C4' energy: -63.626 flat angles P-C4'-P energy: -42.831 tors. eta vs tors. theta energy: -68.706 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: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1046.042889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.042889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.042889 (E_RNA) where: Base-Base interactions energy: -729.080 where: short stacking energy: -319.445 Base-Backbone interact. energy: -1.173 local terms energy: -315.790243 where: bonds (distance) C4'-P energy: -52.675 bonds (distance) P-C4' energy: -68.531 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -41.558 tors. eta vs tors. theta energy: -83.903 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: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -953.126946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.126946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.126946 (E_RNA) where: Base-Base interactions energy: -644.583 where: short stacking energy: -286.016 Base-Backbone interact. energy: -0.975 local terms energy: -307.568305 where: bonds (distance) C4'-P energy: -47.543 bonds (distance) P-C4' energy: -62.777 flat angles C4'-P-C4' energy: -81.671 flat angles P-C4'-P energy: -39.366 tors. eta vs tors. theta energy: -76.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -930.248213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.248213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.248213 (E_RNA) where: Base-Base interactions energy: -631.250 where: short stacking energy: -264.656 Base-Backbone interact. energy: -0.453 local terms energy: -298.545800 where: bonds (distance) C4'-P energy: -46.445 bonds (distance) P-C4' energy: -69.790 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -47.157 tors. eta vs tors. theta energy: -67.396 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: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -639.063002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.063002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.063002 (E_RNA) where: Base-Base interactions energy: -388.959 where: short stacking energy: -182.080 Base-Backbone interact. energy: 1.433 local terms energy: -251.537263 where: bonds (distance) C4'-P energy: -58.251 bonds (distance) P-C4' energy: -54.082 flat angles C4'-P-C4' energy: -67.054 flat angles P-C4'-P energy: -36.875 tors. eta vs tors. theta energy: -35.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -500.482001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.482001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.482001 (E_RNA) where: Base-Base interactions energy: -325.234 where: short stacking energy: -148.759 Base-Backbone interact. energy: 2.543 local terms energy: -177.790785 where: bonds (distance) C4'-P energy: -46.455 bonds (distance) P-C4' energy: -52.737 flat angles C4'-P-C4' energy: -57.384 flat angles P-C4'-P energy: -22.379 tors. eta vs tors. theta energy: 1.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1337.667914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.667914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.667914 (E_RNA) where: Base-Base interactions energy: -955.826 where: short stacking energy: -389.498 Base-Backbone interact. energy: 1.420 local terms energy: -383.262244 where: bonds (distance) C4'-P energy: -64.732 bonds (distance) P-C4' energy: -74.295 flat angles C4'-P-C4' energy: -77.207 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -117.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1292.263033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.263033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.263033 (E_RNA) where: Base-Base interactions energy: -911.677 where: short stacking energy: -388.036 Base-Backbone interact. energy: 0.637 local terms energy: -381.223028 where: bonds (distance) C4'-P energy: -62.168 bonds (distance) P-C4' energy: -71.789 flat angles C4'-P-C4' energy: -73.516 flat angles P-C4'-P energy: -54.395 tors. eta vs tors. theta energy: -119.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1274.201603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.201603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.201603 (E_RNA) where: Base-Base interactions energy: -913.304 where: short stacking energy: -370.104 Base-Backbone interact. energy: -1.358 local terms energy: -359.540297 where: bonds (distance) C4'-P energy: -69.308 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -78.184 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: -97.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1142.975414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.975414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.975414 (E_RNA) where: Base-Base interactions energy: -815.635 where: short stacking energy: -348.096 Base-Backbone interact. energy: 0.262 local terms energy: -327.602231 where: bonds (distance) C4'-P energy: -58.633 bonds (distance) P-C4' energy: -55.503 flat angles C4'-P-C4' energy: -72.429 flat angles P-C4'-P energy: -48.592 tors. eta vs tors. theta energy: -92.445 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: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1055.153629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.153629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.153629 (E_RNA) where: Base-Base interactions energy: -755.786 where: short stacking energy: -288.125 Base-Backbone interact. energy: -2.015 local terms energy: -297.352565 where: bonds (distance) C4'-P energy: -57.637 bonds (distance) P-C4' energy: -66.764 flat angles C4'-P-C4' energy: -65.294 flat angles P-C4'-P energy: -44.362 tors. eta vs tors. theta energy: -63.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1059.193997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.193997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.193997 (E_RNA) where: Base-Base interactions energy: -721.103 where: short stacking energy: -326.161 Base-Backbone interact. energy: -0.359 local terms energy: -337.732258 where: bonds (distance) C4'-P energy: -69.677 bonds (distance) P-C4' energy: -58.507 flat angles C4'-P-C4' energy: -66.307 flat angles P-C4'-P energy: -46.170 tors. eta vs tors. theta energy: -97.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -994.681771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.681771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.681771 (E_RNA) where: Base-Base interactions energy: -711.228 where: short stacking energy: -296.349 Base-Backbone interact. energy: 0.455 local terms energy: -283.908976 where: bonds (distance) C4'-P energy: -44.023 bonds (distance) P-C4' energy: -57.901 flat angles C4'-P-C4' energy: -72.993 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -64.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -914.796550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.796550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.796550 (E_RNA) where: Base-Base interactions energy: -628.206 where: short stacking energy: -285.996 Base-Backbone interact. energy: -0.418 local terms energy: -286.172021 where: bonds (distance) C4'-P energy: -48.538 bonds (distance) P-C4' energy: -58.739 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -47.677 tors. eta vs tors. theta energy: -70.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -603.730821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.730821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.730821 (E_RNA) where: Base-Base interactions energy: -366.988 where: short stacking energy: -179.298 Base-Backbone interact. energy: -0.357 local terms energy: -236.385693 where: bonds (distance) C4'-P energy: -51.222 bonds (distance) P-C4' energy: -51.272 flat angles C4'-P-C4' energy: -67.577 flat angles P-C4'-P energy: -35.277 tors. eta vs tors. theta energy: -31.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -444.587189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.587189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.587189 (E_RNA) where: Base-Base interactions energy: -265.859 where: short stacking energy: -149.844 Base-Backbone interact. energy: 8.138 local terms energy: -186.865523 where: bonds (distance) C4'-P energy: -56.767 bonds (distance) P-C4' energy: -51.282 flat angles C4'-P-C4' energy: -53.858 flat angles P-C4'-P energy: -30.037 tors. eta vs tors. theta energy: 5.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1337.218716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.218716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.218716 (E_RNA) where: Base-Base interactions energy: -953.599 where: short stacking energy: -393.476 Base-Backbone interact. energy: -0.995 local terms energy: -382.625005 where: bonds (distance) C4'-P energy: -67.472 bonds (distance) P-C4' energy: -77.017 flat angles C4'-P-C4' energy: -80.922 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -109.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1266.211768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.211768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.211768 (E_RNA) where: Base-Base interactions energy: -902.701 where: short stacking energy: -365.145 Base-Backbone interact. energy: -0.434 local terms energy: -363.076612 where: bonds (distance) C4'-P energy: -70.941 bonds (distance) P-C4' energy: -73.262 flat angles C4'-P-C4' energy: -78.907 flat angles P-C4'-P energy: -50.306 tors. eta vs tors. theta energy: -89.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1271.885529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.885529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.885529 (E_RNA) where: Base-Base interactions energy: -903.260 where: short stacking energy: -386.468 Base-Backbone interact. energy: -0.724 local terms energy: -367.900886 where: bonds (distance) C4'-P energy: -66.648 bonds (distance) P-C4' energy: -68.454 flat angles C4'-P-C4' energy: -77.114 flat angles P-C4'-P energy: -50.199 tors. eta vs tors. theta energy: -105.486 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: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1137.373062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.373062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.373062 (E_RNA) where: Base-Base interactions energy: -810.300 where: short stacking energy: -322.585 Base-Backbone interact. energy: 0.096 local terms energy: -327.168641 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -74.474 flat angles C4'-P-C4' energy: -68.415 flat angles P-C4'-P energy: -39.327 tors. eta vs tors. theta energy: -88.707 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: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1117.194972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.194972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.194972 (E_RNA) where: Base-Base interactions energy: -793.310 where: short stacking energy: -325.127 Base-Backbone interact. energy: -1.743 local terms energy: -322.141771 where: bonds (distance) C4'-P energy: -64.486 bonds (distance) P-C4' energy: -63.586 flat angles C4'-P-C4' energy: -75.325 flat angles P-C4'-P energy: -36.525 tors. eta vs tors. theta energy: -82.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1070.850978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.850978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.850978 (E_RNA) where: Base-Base interactions energy: -733.895 where: short stacking energy: -348.673 Base-Backbone interact. energy: -1.569 local terms energy: -335.387009 where: bonds (distance) C4'-P energy: -63.640 bonds (distance) P-C4' energy: -59.797 flat angles C4'-P-C4' energy: -71.640 flat angles P-C4'-P energy: -47.843 tors. eta vs tors. theta energy: -92.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -969.598093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.598093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.598093 (E_RNA) where: Base-Base interactions energy: -673.777 where: short stacking energy: -295.670 Base-Backbone interact. energy: -3.000 local terms energy: -292.820948 where: bonds (distance) C4'-P energy: -40.155 bonds (distance) P-C4' energy: -65.256 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -32.754 tors. eta vs tors. theta energy: -82.403 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: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -904.601841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.601841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.601841 (E_RNA) where: Base-Base interactions energy: -626.004 where: short stacking energy: -301.331 Base-Backbone interact. energy: 1.084 local terms energy: -279.681854 where: bonds (distance) C4'-P energy: -65.635 bonds (distance) P-C4' energy: -55.791 flat angles C4'-P-C4' energy: -55.731 flat angles P-C4'-P energy: -19.083 tors. eta vs tors. theta energy: -83.443 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: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -672.141711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.141711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.141711 (E_RNA) where: Base-Base interactions energy: -426.738 where: short stacking energy: -217.634 Base-Backbone interact. energy: 6.722 local terms energy: -252.125956 where: bonds (distance) C4'-P energy: -57.576 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -38.572 flat angles P-C4'-P energy: -43.812 tors. eta vs tors. theta energy: -44.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -459.491028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.491028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.491028 (E_RNA) where: Base-Base interactions energy: -243.662 where: short stacking energy: -127.633 Base-Backbone interact. energy: -0.813 local terms energy: -215.016027 where: bonds (distance) C4'-P energy: -58.496 bonds (distance) P-C4' energy: -63.572 flat angles C4'-P-C4' energy: -43.657 flat angles P-C4'-P energy: -32.977 tors. eta vs tors. theta energy: -16.313 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: 7 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1282.002267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.002267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.002267 (E_RNA) where: Base-Base interactions energy: -912.074 where: short stacking energy: -368.382 Base-Backbone interact. energy: -0.996 local terms energy: -368.931643 where: bonds (distance) C4'-P energy: -70.381 bonds (distance) P-C4' energy: -73.446 flat angles C4'-P-C4' energy: -79.171 flat angles P-C4'-P energy: -53.130 tors. eta vs tors. theta energy: -92.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1320.235009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.235009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.235009 (E_RNA) where: Base-Base interactions energy: -940.791 where: short stacking energy: -377.084 Base-Backbone interact. energy: -2.007 local terms energy: -377.436485 where: bonds (distance) C4'-P energy: -72.576 bonds (distance) P-C4' energy: -70.306 flat angles C4'-P-C4' energy: -81.057 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -106.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1261.717952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.717952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.717952 (E_RNA) where: Base-Base interactions energy: -883.043 where: short stacking energy: -373.130 Base-Backbone interact. energy: -1.142 local terms energy: -377.532502 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -69.811 flat angles C4'-P-C4' energy: -76.588 flat angles P-C4'-P energy: -56.432 tors. eta vs tors. theta energy: -107.776 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: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1146.829922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.829922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.829922 (E_RNA) where: Base-Base interactions energy: -809.922 where: short stacking energy: -336.117 Base-Backbone interact. energy: 0.037 local terms energy: -336.945097 where: bonds (distance) C4'-P energy: -66.275 bonds (distance) P-C4' energy: -57.922 flat angles C4'-P-C4' energy: -81.051 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -78.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1076.869686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.869686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.869686 (E_RNA) where: Base-Base interactions energy: -750.227 where: short stacking energy: -316.469 Base-Backbone interact. energy: -1.098 local terms energy: -325.544331 where: bonds (distance) C4'-P energy: -65.463 bonds (distance) P-C4' energy: -63.286 flat angles C4'-P-C4' energy: -73.107 flat angles P-C4'-P energy: -41.612 tors. eta vs tors. theta energy: -82.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1076.930171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.930171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.930171 (E_RNA) where: Base-Base interactions energy: -769.174 where: short stacking energy: -314.465 Base-Backbone interact. energy: 0.742 local terms energy: -308.498073 where: bonds (distance) C4'-P energy: -56.442 bonds (distance) P-C4' energy: -61.031 flat angles C4'-P-C4' energy: -72.830 flat angles P-C4'-P energy: -42.474 tors. eta vs tors. theta energy: -75.721 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: 378 Temperature: 1.200000 Total energy: -942.715175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.715175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.715175 (E_RNA) where: Base-Base interactions energy: -666.515 where: short stacking energy: -297.568 Base-Backbone interact. energy: 2.459 local terms energy: -278.659143 where: bonds (distance) C4'-P energy: -50.901 bonds (distance) P-C4' energy: -60.008 flat angles C4'-P-C4' energy: -62.314 flat angles P-C4'-P energy: -37.384 tors. eta vs tors. theta energy: -68.053 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: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -858.998759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.998759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.998759 (E_RNA) where: Base-Base interactions energy: -580.423 where: short stacking energy: -272.428 Base-Backbone interact. energy: 0.313 local terms energy: -278.888440 where: bonds (distance) C4'-P energy: -62.176 bonds (distance) P-C4' energy: -68.232 flat angles C4'-P-C4' energy: -56.058 flat angles P-C4'-P energy: -33.829 tors. eta vs tors. theta energy: -58.593 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: 10 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -641.537050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.537050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.537050 (E_RNA) where: Base-Base interactions energy: -406.893 where: short stacking energy: -178.969 Base-Backbone interact. energy: 3.989 local terms energy: -238.633601 where: bonds (distance) C4'-P energy: -57.004 bonds (distance) P-C4' energy: -55.202 flat angles C4'-P-C4' energy: -52.645 flat angles P-C4'-P energy: -40.964 tors. eta vs tors. theta energy: -32.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -414.283829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.283829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.283829 (E_RNA) where: Base-Base interactions energy: -209.233 where: short stacking energy: -92.485 Base-Backbone interact. energy: -2.403 local terms energy: -202.647485 where: bonds (distance) C4'-P energy: -49.509 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -61.139 flat angles P-C4'-P energy: -16.695 tors. eta vs tors. theta energy: -11.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1274.155428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.155428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.155428 (E_RNA) where: Base-Base interactions energy: -905.183 where: short stacking energy: -364.531 Base-Backbone interact. energy: -3.664 local terms energy: -365.308952 where: bonds (distance) C4'-P energy: -66.601 bonds (distance) P-C4' energy: -72.336 flat angles C4'-P-C4' energy: -80.990 flat angles P-C4'-P energy: -48.892 tors. eta vs tors. theta energy: -96.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1303.915661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.915661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.915661 (E_RNA) where: Base-Base interactions energy: -937.928 where: short stacking energy: -376.108 Base-Backbone interact. energy: -0.749 local terms energy: -365.238225 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -65.665 flat angles C4'-P-C4' energy: -79.609 flat angles P-C4'-P energy: -53.163 tors. eta vs tors. theta energy: -104.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1250.204779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.204779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.204779 (E_RNA) where: Base-Base interactions energy: -866.744 where: short stacking energy: -368.170 Base-Backbone interact. energy: -0.257 local terms energy: -383.204671 where: bonds (distance) C4'-P energy: -79.189 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -40.451 tors. eta vs tors. theta energy: -111.776 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: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1130.691837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.691837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.691837 (E_RNA) where: Base-Base interactions energy: -790.714 where: short stacking energy: -322.537 Base-Backbone interact. energy: -0.798 local terms energy: -339.179876 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -64.600 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -51.571 tors. eta vs tors. theta energy: -87.700 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: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1102.784564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.784564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.784564 (E_RNA) where: Base-Base interactions energy: -762.645 where: short stacking energy: -341.642 Base-Backbone interact. energy: -1.909 local terms energy: -338.230642 where: bonds (distance) C4'-P energy: -54.703 bonds (distance) P-C4' energy: -62.953 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -46.537 tors. eta vs tors. theta energy: -103.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1051.718255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.718255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.718255 (E_RNA) where: Base-Base interactions energy: -737.576 where: short stacking energy: -317.836 Base-Backbone interact. energy: -1.413 local terms energy: -312.729212 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -62.711 flat angles P-C4'-P energy: -33.554 tors. eta vs tors. theta energy: -82.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -947.573145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.573145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.573145 (E_RNA) where: Base-Base interactions energy: -654.946 where: short stacking energy: -289.031 Base-Backbone interact. energy: -1.476 local terms energy: -291.151354 where: bonds (distance) C4'-P energy: -51.125 bonds (distance) P-C4' energy: -63.509 flat angles C4'-P-C4' energy: -71.571 flat angles P-C4'-P energy: -35.742 tors. eta vs tors. theta energy: -69.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -877.924069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.924069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.924069 (E_RNA) where: Base-Base interactions energy: -606.082 where: short stacking energy: -258.173 Base-Backbone interact. energy: -1.705 local terms energy: -270.136322 where: bonds (distance) C4'-P energy: -49.537 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -57.691 flat angles P-C4'-P energy: -38.124 tors. eta vs tors. theta energy: -61.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -634.146645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.146645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.146645 (E_RNA) where: Base-Base interactions energy: -390.387 where: short stacking energy: -194.458 Base-Backbone interact. energy: 0.025 local terms energy: -243.785274 where: bonds (distance) C4'-P energy: -64.943 bonds (distance) P-C4' energy: -69.312 flat angles C4'-P-C4' energy: -59.822 flat angles P-C4'-P energy: -17.917 tors. eta vs tors. theta energy: -31.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -457.933925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.933925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.933925 (E_RNA) where: Base-Base interactions energy: -265.838 where: short stacking energy: -141.431 Base-Backbone interact. energy: -1.015 local terms energy: -191.081674 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -50.294 flat angles C4'-P-C4' energy: -36.267 flat angles P-C4'-P energy: -33.609 tors. eta vs tors. theta energy: -13.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1336.881981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.881981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.881981 (E_RNA) where: Base-Base interactions energy: -950.325 where: short stacking energy: -401.945 Base-Backbone interact. energy: -1.247 local terms energy: -385.310683 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -80.406 flat angles P-C4'-P energy: -53.536 tors. eta vs tors. theta energy: -115.917 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: 7 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1271.507968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.507968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.507968 (E_RNA) where: Base-Base interactions energy: -916.158 where: short stacking energy: -367.782 Base-Backbone interact. energy: 0.695 local terms energy: -356.044330 where: bonds (distance) C4'-P energy: -63.688 bonds (distance) P-C4' energy: -64.563 flat angles C4'-P-C4' energy: -74.171 flat angles P-C4'-P energy: -57.063 tors. eta vs tors. theta energy: -96.560 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: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1236.787776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.787776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.787776 (E_RNA) where: Base-Base interactions energy: -892.199 where: short stacking energy: -355.200 Base-Backbone interact. energy: -0.681 local terms energy: -343.907878 where: bonds (distance) C4'-P energy: -62.902 bonds (distance) P-C4' energy: -66.874 flat angles C4'-P-C4' energy: -76.247 flat angles P-C4'-P energy: -45.667 tors. eta vs tors. theta energy: -92.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1146.311953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.311953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.311953 (E_RNA) where: Base-Base interactions energy: -807.000 where: short stacking energy: -336.845 Base-Backbone interact. energy: -2.451 local terms energy: -336.860540 where: bonds (distance) C4'-P energy: -65.923 bonds (distance) P-C4' energy: -65.813 flat angles C4'-P-C4' energy: -66.725 flat angles P-C4'-P energy: -52.254 tors. eta vs tors. theta energy: -86.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1095.704957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.704957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.704957 (E_RNA) where: Base-Base interactions energy: -793.275 where: short stacking energy: -330.596 Base-Backbone interact. energy: -0.706 local terms energy: -301.724026 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -56.886 flat angles C4'-P-C4' energy: -68.068 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -81.536 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: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1062.866889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.866889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.866889 (E_RNA) where: Base-Base interactions energy: -727.156 where: short stacking energy: -326.528 Base-Backbone interact. energy: -1.092 local terms energy: -334.618804 where: bonds (distance) C4'-P energy: -56.043 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -56.014 tors. eta vs tors. theta energy: -92.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -954.482760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.482760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.482760 (E_RNA) where: Base-Base interactions energy: -651.016 where: short stacking energy: -273.061 Base-Backbone interact. energy: 0.119 local terms energy: -303.585633 where: bonds (distance) C4'-P energy: -73.557 bonds (distance) P-C4' energy: -56.483 flat angles C4'-P-C4' energy: -70.166 flat angles P-C4'-P energy: -42.971 tors. eta vs tors. theta energy: -60.408 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: 380 Temperature: 1.250000 Total energy: -861.672937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.672937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.672937 (E_RNA) where: Base-Base interactions energy: -550.150 where: short stacking energy: -249.384 Base-Backbone interact. energy: -4.021 local terms energy: -307.501593 where: bonds (distance) C4'-P energy: -56.878 bonds (distance) P-C4' energy: -75.851 flat angles C4'-P-C4' energy: -67.398 flat angles P-C4'-P energy: -41.328 tors. eta vs tors. theta energy: -66.046 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: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -610.621351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.621351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.621351 (E_RNA) where: Base-Base interactions energy: -365.814 where: short stacking energy: -182.679 Base-Backbone interact. energy: -1.037 local terms energy: -243.769746 where: bonds (distance) C4'-P energy: -61.281 bonds (distance) P-C4' energy: -60.580 flat angles C4'-P-C4' energy: -59.520 flat angles P-C4'-P energy: -26.660 tors. eta vs tors. theta energy: -35.729 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: 380 Temperature: 1.350000 Total energy: -422.376547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.376547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.376547 (E_RNA) where: Base-Base interactions energy: -227.904 where: short stacking energy: -114.930 Base-Backbone interact. energy: -0.954 local terms energy: -193.518651 where: bonds (distance) C4'-P energy: -64.877 bonds (distance) P-C4' energy: -52.971 flat angles C4'-P-C4' energy: -52.507 flat angles P-C4'-P energy: -17.091 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1354.923825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.923825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.923825 (E_RNA) where: Base-Base interactions energy: -975.550 where: short stacking energy: -404.111 Base-Backbone interact. energy: -0.895 local terms energy: -378.478491 where: bonds (distance) C4'-P energy: -68.924 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -73.928 flat angles P-C4'-P energy: -55.704 tors. eta vs tors. theta energy: -112.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1277.403244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.403244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.403244 (E_RNA) where: Base-Base interactions energy: -898.921 where: short stacking energy: -377.398 Base-Backbone interact. energy: -1.224 local terms energy: -377.258884 where: bonds (distance) C4'-P energy: -66.785 bonds (distance) P-C4' energy: -76.268 flat angles C4'-P-C4' energy: -77.078 flat angles P-C4'-P energy: -48.455 tors. eta vs tors. theta energy: -108.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1254.445725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.445725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.445725 (E_RNA) where: Base-Base interactions energy: -894.925 where: short stacking energy: -354.606 Base-Backbone interact. energy: 2.952 local terms energy: -362.472654 where: bonds (distance) C4'-P energy: -77.917 bonds (distance) P-C4' energy: -74.275 flat angles C4'-P-C4' energy: -73.380 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -86.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1177.356386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.356386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.356386 (E_RNA) where: Base-Base interactions energy: -820.796 where: short stacking energy: -371.895 Base-Backbone interact. energy: 0.548 local terms energy: -357.107702 where: bonds (distance) C4'-P energy: -60.598 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -77.046 flat angles P-C4'-P energy: -52.843 tors. eta vs tors. theta energy: -98.313 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: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1096.968162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.968162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.968162 (E_RNA) where: Base-Base interactions energy: -775.518 where: short stacking energy: -323.270 Base-Backbone interact. energy: -1.023 local terms energy: -320.427002 where: bonds (distance) C4'-P energy: -67.627 bonds (distance) P-C4' energy: -65.821 flat angles C4'-P-C4' energy: -71.010 flat angles P-C4'-P energy: -31.583 tors. eta vs tors. theta energy: -84.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1049.015484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.015484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.015484 (E_RNA) where: Base-Base interactions energy: -737.401 where: short stacking energy: -308.947 Base-Backbone interact. energy: -2.890 local terms energy: -308.723884 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -59.099 flat angles C4'-P-C4' energy: -68.271 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: -79.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -968.374151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.374151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.374151 (E_RNA) where: Base-Base interactions energy: -682.460 where: short stacking energy: -280.776 Base-Backbone interact. energy: -1.127 local terms energy: -284.787087 where: bonds (distance) C4'-P energy: -59.034 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -59.617 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -67.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -851.132060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.132060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.132060 (E_RNA) where: Base-Base interactions energy: -579.473 where: short stacking energy: -254.040 Base-Backbone interact. energy: -2.265 local terms energy: -269.393681 where: bonds (distance) C4'-P energy: -59.665 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -54.523 flat angles P-C4'-P energy: -35.971 tors. eta vs tors. theta energy: -60.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -613.812315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.812315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.812315 (E_RNA) where: Base-Base interactions energy: -372.039 where: short stacking energy: -195.494 Base-Backbone interact. energy: 0.668 local terms energy: -242.441219 where: bonds (distance) C4'-P energy: -56.939 bonds (distance) P-C4' energy: -59.520 flat angles C4'-P-C4' energy: -60.317 flat angles P-C4'-P energy: -37.495 tors. eta vs tors. theta energy: -28.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -417.638326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.638326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.638326 (E_RNA) where: Base-Base interactions energy: -206.908 where: short stacking energy: -110.528 Base-Backbone interact. energy: -0.815 local terms energy: -209.915292 where: bonds (distance) C4'-P energy: -50.515 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -57.894 flat angles P-C4'-P energy: -31.586 tors. eta vs tors. theta energy: -10.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1335.575290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.575290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.575290 (E_RNA) where: Base-Base interactions energy: -947.451 where: short stacking energy: -376.717 Base-Backbone interact. energy: -0.696 local terms energy: -387.428476 where: bonds (distance) C4'-P energy: -65.650 bonds (distance) P-C4' energy: -75.772 flat angles C4'-P-C4' energy: -76.061 flat angles P-C4'-P energy: -58.687 tors. eta vs tors. theta energy: -111.259 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: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1271.392820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.392820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.392820 (E_RNA) where: Base-Base interactions energy: -908.133 where: short stacking energy: -384.281 Base-Backbone interact. energy: 2.104 local terms energy: -365.364157 where: bonds (distance) C4'-P energy: -60.307 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -86.635 flat angles P-C4'-P energy: -54.321 tors. eta vs tors. theta energy: -102.800 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: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1244.689380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.689380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.689380 (E_RNA) where: Base-Base interactions energy: -910.704 where: short stacking energy: -363.668 Base-Backbone interact. energy: 1.543 local terms energy: -335.528476 where: bonds (distance) C4'-P energy: -61.171 bonds (distance) P-C4' energy: -69.061 flat angles C4'-P-C4' energy: -75.896 flat angles P-C4'-P energy: -44.416 tors. eta vs tors. theta energy: -84.985 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: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1145.412143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.412143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.412143 (E_RNA) where: Base-Base interactions energy: -803.304 where: short stacking energy: -319.347 Base-Backbone interact. energy: -2.590 local terms energy: -339.518446 where: bonds (distance) C4'-P energy: -59.955 bonds (distance) P-C4' energy: -67.344 flat angles C4'-P-C4' energy: -67.490 flat angles P-C4'-P energy: -56.417 tors. eta vs tors. theta energy: -88.313 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: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1069.262833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.262833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.262833 (E_RNA) where: Base-Base interactions energy: -780.941 where: short stacking energy: -341.123 Base-Backbone interact. energy: 0.684 local terms energy: -289.005291 where: bonds (distance) C4'-P energy: -60.216 bonds (distance) P-C4' energy: -52.798 flat angles C4'-P-C4' energy: -61.950 flat angles P-C4'-P energy: -28.488 tors. eta vs tors. theta energy: -85.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1063.313325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.313325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.313325 (E_RNA) where: Base-Base interactions energy: -737.762 where: short stacking energy: -306.813 Base-Backbone interact. energy: -2.312 local terms energy: -323.238896 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -69.597 flat angles C4'-P-C4' energy: -72.440 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -81.204 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: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -943.897623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.897623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.897623 (E_RNA) where: Base-Base interactions energy: -651.721 where: short stacking energy: -249.442 Base-Backbone interact. energy: -1.223 local terms energy: -290.953257 where: bonds (distance) C4'-P energy: -68.507 bonds (distance) P-C4' energy: -70.008 flat angles C4'-P-C4' energy: -60.627 flat angles P-C4'-P energy: -28.783 tors. eta vs tors. theta energy: -63.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -817.310121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.310121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.310121 (E_RNA) where: Base-Base interactions energy: -562.283 where: short stacking energy: -255.764 Base-Backbone interact. energy: -0.493 local terms energy: -254.533423 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -30.628 flat angles C4'-P-C4' energy: -64.107 flat angles P-C4'-P energy: -44.575 tors. eta vs tors. theta energy: -59.287 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: 10 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -615.243491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.243491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.243491 (E_RNA) where: Base-Base interactions energy: -389.948 where: short stacking energy: -186.438 Base-Backbone interact. energy: 1.032 local terms energy: -226.328270 where: bonds (distance) C4'-P energy: -43.146 bonds (distance) P-C4' energy: -60.013 flat angles C4'-P-C4' energy: -59.863 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -26.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -441.856643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.856643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.856643 (E_RNA) where: Base-Base interactions energy: -243.917 where: short stacking energy: -136.986 Base-Backbone interact. energy: 1.413 local terms energy: -199.352883 where: bonds (distance) C4'-P energy: -55.554 bonds (distance) P-C4' energy: -55.984 flat angles C4'-P-C4' energy: -52.258 flat angles P-C4'-P energy: -29.077 tors. eta vs tors. theta energy: -6.480 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: 1, replica: 4 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1364.953938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.953938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.953938 (E_RNA) where: Base-Base interactions energy: -970.541 where: short stacking energy: -406.572 Base-Backbone interact. energy: -1.364 local terms energy: -393.048403 where: bonds (distance) C4'-P energy: -68.707 bonds (distance) P-C4' energy: -66.897 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -58.853 tors. eta vs tors. theta energy: -116.967 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: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1282.310124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.310124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.310124 (E_RNA) where: Base-Base interactions energy: -912.995 where: short stacking energy: -385.735 Base-Backbone interact. energy: -0.955 local terms energy: -368.360538 where: bonds (distance) C4'-P energy: -70.592 bonds (distance) P-C4' energy: -70.274 flat angles C4'-P-C4' energy: -80.169 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -97.906 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: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1242.022908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.022908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.022908 (E_RNA) where: Base-Base interactions energy: -882.860 where: short stacking energy: -364.719 Base-Backbone interact. energy: -0.574 local terms energy: -358.589063 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -80.419 flat angles P-C4'-P energy: -42.400 tors. eta vs tors. theta energy: -104.171 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: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1133.960810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.960810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.960810 (E_RNA) where: Base-Base interactions energy: -781.509 where: short stacking energy: -333.077 Base-Backbone interact. energy: -1.574 local terms energy: -350.877597 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -63.953 flat angles C4'-P-C4' energy: -76.752 flat angles P-C4'-P energy: -52.706 tors. eta vs tors. theta energy: -91.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1083.284807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.284807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.284807 (E_RNA) where: Base-Base interactions energy: -750.595 where: short stacking energy: -331.244 Base-Backbone interact. energy: -1.761 local terms energy: -330.928738 where: bonds (distance) C4'-P energy: -63.338 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -79.042 flat angles P-C4'-P energy: -46.617 tors. eta vs tors. theta energy: -83.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1050.938905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.938905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.938905 (E_RNA) where: Base-Base interactions energy: -729.017 where: short stacking energy: -313.357 Base-Backbone interact. energy: -0.478 local terms energy: -321.443447 where: bonds (distance) C4'-P energy: -61.153 bonds (distance) P-C4' energy: -61.392 flat angles C4'-P-C4' energy: -76.008 flat angles P-C4'-P energy: -53.273 tors. eta vs tors. theta energy: -69.617 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: 383 Temperature: 1.200000 Total energy: -972.868681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.868681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.868681 (E_RNA) where: Base-Base interactions energy: -664.497 where: short stacking energy: -285.427 Base-Backbone interact. energy: 0.058 local terms energy: -308.429471 where: bonds (distance) C4'-P energy: -63.813 bonds (distance) P-C4' energy: -69.460 flat angles C4'-P-C4' energy: -71.468 flat angles P-C4'-P energy: -37.067 tors. eta vs tors. theta energy: -66.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -798.071712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.071712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.071712 (E_RNA) where: Base-Base interactions energy: -543.213 where: short stacking energy: -246.801 Base-Backbone interact. energy: -0.362 local terms energy: -254.496344 where: bonds (distance) C4'-P energy: -51.144 bonds (distance) P-C4' energy: -50.468 flat angles C4'-P-C4' energy: -58.146 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -62.112 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: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -605.991003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.991003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.991003 (E_RNA) where: Base-Base interactions energy: -376.810 where: short stacking energy: -167.639 Base-Backbone interact. energy: 0.776 local terms energy: -229.957227 where: bonds (distance) C4'-P energy: -59.854 bonds (distance) P-C4' energy: -60.662 flat angles C4'-P-C4' energy: -60.599 flat angles P-C4'-P energy: -28.733 tors. eta vs tors. theta energy: -20.109 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: 2 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -457.394207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.394207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.394207 (E_RNA) where: Base-Base interactions energy: -254.528 where: short stacking energy: -138.193 Base-Backbone interact. energy: 3.169 local terms energy: -206.034885 where: bonds (distance) C4'-P energy: -61.189 bonds (distance) P-C4' energy: -59.514 flat angles C4'-P-C4' energy: -58.741 flat angles P-C4'-P energy: -26.893 tors. eta vs tors. theta energy: 0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1360.145401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.145401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.145401 (E_RNA) where: Base-Base interactions energy: -982.422 where: short stacking energy: -402.968 Base-Backbone interact. energy: -1.018 local terms energy: -376.705372 where: bonds (distance) C4'-P energy: -61.617 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -81.839 flat angles P-C4'-P energy: -58.279 tors. eta vs tors. theta energy: -119.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1268.961047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.961047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.961047 (E_RNA) where: Base-Base interactions energy: -915.040 where: short stacking energy: -371.542 Base-Backbone interact. energy: -0.863 local terms energy: -353.057744 where: bonds (distance) C4'-P energy: -69.481 bonds (distance) P-C4' energy: -68.128 flat angles C4'-P-C4' energy: -76.313 flat angles P-C4'-P energy: -52.513 tors. eta vs tors. theta energy: -86.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1242.436693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.436693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.436693 (E_RNA) where: Base-Base interactions energy: -883.331 where: short stacking energy: -352.222 Base-Backbone interact. energy: 0.695 local terms energy: -359.800117 where: bonds (distance) C4'-P energy: -69.464 bonds (distance) P-C4' energy: -60.948 flat angles C4'-P-C4' energy: -77.447 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -104.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1144.773772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.773772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.773772 (E_RNA) where: Base-Base interactions energy: -798.895 where: short stacking energy: -342.554 Base-Backbone interact. energy: -0.734 local terms energy: -345.144517 where: bonds (distance) C4'-P energy: -65.596 bonds (distance) P-C4' energy: -75.846 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: -86.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1049.491790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.491790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.491790 (E_RNA) where: Base-Base interactions energy: -711.747 where: short stacking energy: -296.302 Base-Backbone interact. energy: 0.899 local terms energy: -338.643659 where: bonds (distance) C4'-P energy: -66.264 bonds (distance) P-C4' energy: -79.513 flat angles C4'-P-C4' energy: -64.612 flat angles P-C4'-P energy: -51.869 tors. eta vs tors. theta energy: -76.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1083.889867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.889867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.889867 (E_RNA) where: Base-Base interactions energy: -738.367 where: short stacking energy: -325.020 Base-Backbone interact. energy: -0.893 local terms energy: -344.629515 where: bonds (distance) C4'-P energy: -67.790 bonds (distance) P-C4' energy: -60.558 flat angles C4'-P-C4' energy: -73.714 flat angles P-C4'-P energy: -55.731 tors. eta vs tors. theta energy: -86.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -979.399373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.399373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.399373 (E_RNA) where: Base-Base interactions energy: -657.469 where: short stacking energy: -273.244 Base-Backbone interact. energy: -2.016 local terms energy: -319.913803 where: bonds (distance) C4'-P energy: -67.911 bonds (distance) P-C4' energy: -66.221 flat angles C4'-P-C4' energy: -68.275 flat angles P-C4'-P energy: -45.480 tors. eta vs tors. theta energy: -72.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -806.891124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.891124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.891124 (E_RNA) where: Base-Base interactions energy: -534.931 where: short stacking energy: -242.761 Base-Backbone interact. energy: 0.380 local terms energy: -272.340115 where: bonds (distance) C4'-P energy: -61.747 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -51.806 flat angles P-C4'-P energy: -35.564 tors. eta vs tors. theta energy: -64.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -722.320839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.320839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.320839 (E_RNA) where: Base-Base interactions energy: -470.095 where: short stacking energy: -199.571 Base-Backbone interact. energy: 3.281 local terms energy: -255.506338 where: bonds (distance) C4'-P energy: -61.573 bonds (distance) P-C4' energy: -65.537 flat angles C4'-P-C4' energy: -58.718 flat angles P-C4'-P energy: -29.529 tors. eta vs tors. theta energy: -40.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -530.840078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.840078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.840078 (E_RNA) where: Base-Base interactions energy: -312.010 where: short stacking energy: -154.431 Base-Backbone interact. energy: -0.407 local terms energy: -218.422863 where: bonds (distance) C4'-P energy: -48.627 bonds (distance) P-C4' energy: -58.520 flat angles C4'-P-C4' energy: -58.915 flat angles P-C4'-P energy: -28.031 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1345.982355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.982355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.982355 (E_RNA) where: Base-Base interactions energy: -962.584 where: short stacking energy: -401.818 Base-Backbone interact. energy: -2.190 local terms energy: -381.208212 where: bonds (distance) C4'-P energy: -68.692 bonds (distance) P-C4' energy: -67.572 flat angles C4'-P-C4' energy: -84.094 flat angles P-C4'-P energy: -47.613 tors. eta vs tors. theta energy: -113.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1278.467173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.467173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.467173 (E_RNA) where: Base-Base interactions energy: -918.687 where: short stacking energy: -354.624 Base-Backbone interact. energy: -0.951 local terms energy: -358.828898 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -62.101 flat angles C4'-P-C4' energy: -79.476 flat angles P-C4'-P energy: -57.855 tors. eta vs tors. theta energy: -97.851 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: 9 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1232.309980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.309980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.309980 (E_RNA) where: Base-Base interactions energy: -869.761 where: short stacking energy: -364.742 Base-Backbone interact. energy: -0.042 local terms energy: -362.506469 where: bonds (distance) C4'-P energy: -71.371 bonds (distance) P-C4' energy: -63.116 flat angles C4'-P-C4' energy: -74.964 flat angles P-C4'-P energy: -50.913 tors. eta vs tors. theta energy: -102.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1113.964038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.964038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.964038 (E_RNA) where: Base-Base interactions energy: -774.527 where: short stacking energy: -316.076 Base-Backbone interact. energy: -2.304 local terms energy: -337.133814 where: bonds (distance) C4'-P energy: -65.797 bonds (distance) P-C4' energy: -66.084 flat angles C4'-P-C4' energy: -72.404 flat angles P-C4'-P energy: -43.629 tors. eta vs tors. theta energy: -89.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1067.448773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.448773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.448773 (E_RNA) where: Base-Base interactions energy: -741.831 where: short stacking energy: -302.691 Base-Backbone interact. energy: 0.165 local terms energy: -325.783725 where: bonds (distance) C4'-P energy: -48.522 bonds (distance) P-C4' energy: -74.417 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -47.927 tors. eta vs tors. theta energy: -84.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1059.971867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.971867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.971867 (E_RNA) where: Base-Base interactions energy: -750.848 where: short stacking energy: -324.007 Base-Backbone interact. energy: -1.643 local terms energy: -307.480970 where: bonds (distance) C4'-P energy: -67.469 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -61.990 flat angles P-C4'-P energy: -39.063 tors. eta vs tors. theta energy: -75.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -953.700813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.700813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.700813 (E_RNA) where: Base-Base interactions energy: -639.562 where: short stacking energy: -272.377 Base-Backbone interact. energy: 0.755 local terms energy: -314.894128 where: bonds (distance) C4'-P energy: -53.329 bonds (distance) P-C4' energy: -63.551 flat angles C4'-P-C4' energy: -72.734 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -72.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -768.566189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.566189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.566189 (E_RNA) where: Base-Base interactions energy: -503.052 where: short stacking energy: -228.597 Base-Backbone interact. energy: -0.000 local terms energy: -265.513819 where: bonds (distance) C4'-P energy: -61.086 bonds (distance) P-C4' energy: -56.096 flat angles C4'-P-C4' energy: -69.387 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: -42.758 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: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -786.108201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.108201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.108201 (E_RNA) where: Base-Base interactions energy: -519.270 where: short stacking energy: -232.961 Base-Backbone interact. energy: 1.058 local terms energy: -267.896096 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -58.918 flat angles C4'-P-C4' energy: -63.416 flat angles P-C4'-P energy: -38.224 tors. eta vs tors. theta energy: -48.455 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: 385 Temperature: 1.350000 Total energy: -550.144220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.144220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.144220 (E_RNA) where: Base-Base interactions energy: -325.315 where: short stacking energy: -155.754 Base-Backbone interact. energy: -1.179 local terms energy: -223.650282 where: bonds (distance) C4'-P energy: -50.395 bonds (distance) P-C4' energy: -64.172 flat angles C4'-P-C4' energy: -58.960 flat angles P-C4'-P energy: -29.342 tors. eta vs tors. theta energy: -20.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1337.908169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.908169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.908169 (E_RNA) where: Base-Base interactions energy: -967.215 where: short stacking energy: -392.508 Base-Backbone interact. energy: -0.345 local terms energy: -370.348412 where: bonds (distance) C4'-P energy: -73.664 bonds (distance) P-C4' energy: -53.449 flat angles C4'-P-C4' energy: -77.503 flat angles P-C4'-P energy: -50.917 tors. eta vs tors. theta energy: -114.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1275.727074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.727074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.727074 (E_RNA) where: Base-Base interactions energy: -915.182 where: short stacking energy: -377.491 Base-Backbone interact. energy: -0.907 local terms energy: -359.637360 where: bonds (distance) C4'-P energy: -67.466 bonds (distance) P-C4' energy: -61.064 flat angles C4'-P-C4' energy: -74.166 flat angles P-C4'-P energy: -57.092 tors. eta vs tors. theta energy: -99.849 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: 3, replica: 8 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1162.824579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.824579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.824579 (E_RNA) where: Base-Base interactions energy: -814.141 where: short stacking energy: -332.598 Base-Backbone interact. energy: -0.050 local terms energy: -348.633131 where: bonds (distance) C4'-P energy: -61.213 bonds (distance) P-C4' energy: -76.586 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -53.433 tors. eta vs tors. theta energy: -89.173 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: 9 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1208.171119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.171119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.171119 (E_RNA) where: Base-Base interactions energy: -842.979 where: short stacking energy: -334.852 Base-Backbone interact. energy: -0.444 local terms energy: -364.747640 where: bonds (distance) C4'-P energy: -74.066 bonds (distance) P-C4' energy: -66.854 flat angles C4'-P-C4' energy: -75.658 flat angles P-C4'-P energy: -56.797 tors. eta vs tors. theta energy: -91.373 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: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1151.825950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.825950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.825950 (E_RNA) where: Base-Base interactions energy: -806.716 where: short stacking energy: -354.721 Base-Backbone interact. energy: 1.908 local terms energy: -347.017403 where: bonds (distance) C4'-P energy: -68.585 bonds (distance) P-C4' energy: -63.801 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -42.733 tors. eta vs tors. theta energy: -94.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1075.004508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.004508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.004508 (E_RNA) where: Base-Base interactions energy: -741.305 where: short stacking energy: -321.445 Base-Backbone interact. energy: -1.936 local terms energy: -331.762851 where: bonds (distance) C4'-P energy: -63.231 bonds (distance) P-C4' energy: -67.375 flat angles C4'-P-C4' energy: -70.032 flat angles P-C4'-P energy: -42.815 tors. eta vs tors. theta energy: -88.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -959.579088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.579088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.579088 (E_RNA) where: Base-Base interactions energy: -669.323 where: short stacking energy: -295.542 Base-Backbone interact. energy: -0.450 local terms energy: -289.806200 where: bonds (distance) C4'-P energy: -44.816 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -70.297 flat angles P-C4'-P energy: -46.646 tors. eta vs tors. theta energy: -67.389 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: 10 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -787.517783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.517783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.517783 (E_RNA) where: Base-Base interactions energy: -509.637 where: short stacking energy: -239.863 Base-Backbone interact. energy: 0.488 local terms energy: -278.368375 where: bonds (distance) C4'-P energy: -59.454 bonds (distance) P-C4' energy: -61.385 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -37.637 tors. eta vs tors. theta energy: -53.621 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: 386 Temperature: 1.300000 Total energy: -744.981996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.981996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.981996 (E_RNA) where: Base-Base interactions energy: -480.850 where: short stacking energy: -228.740 Base-Backbone interact. energy: 1.065 local terms energy: -265.197694 where: bonds (distance) C4'-P energy: -43.773 bonds (distance) P-C4' energy: -67.352 flat angles C4'-P-C4' energy: -57.181 flat angles P-C4'-P energy: -42.526 tors. eta vs tors. theta energy: -54.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -537.933378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.933378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.933378 (E_RNA) where: Base-Base interactions energy: -310.858 where: short stacking energy: -147.440 Base-Backbone interact. energy: 4.095 local terms energy: -231.170553 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -62.236 flat angles C4'-P-C4' energy: -48.842 flat angles P-C4'-P energy: -36.134 tors. eta vs tors. theta energy: -27.426 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: 387 Temperature: 0.900000 Total energy: -1340.857401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.857401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.857401 (E_RNA) where: Base-Base interactions energy: -964.515 where: short stacking energy: -391.569 Base-Backbone interact. energy: -0.019 local terms energy: -376.323056 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -59.617 flat angles C4'-P-C4' energy: -79.373 flat angles P-C4'-P energy: -58.111 tors. eta vs tors. theta energy: -112.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1276.042273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.042273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.042273 (E_RNA) where: Base-Base interactions energy: -914.211 where: short stacking energy: -371.851 Base-Backbone interact. energy: -2.807 local terms energy: -359.024091 where: bonds (distance) C4'-P energy: -63.575 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -84.572 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -93.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1184.618644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.618644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.618644 (E_RNA) where: Base-Base interactions energy: -854.913 where: short stacking energy: -340.342 Base-Backbone interact. energy: -0.930 local terms energy: -328.776070 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -61.261 flat angles C4'-P-C4' energy: -73.380 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -85.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1196.584924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.584924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.584924 (E_RNA) where: Base-Base interactions energy: -856.152 where: short stacking energy: -345.271 Base-Backbone interact. energy: 0.587 local terms energy: -341.019422 where: bonds (distance) C4'-P energy: -49.512 bonds (distance) P-C4' energy: -68.354 flat angles C4'-P-C4' energy: -80.557 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -92.072 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: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1113.598362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.598362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.598362 (E_RNA) where: Base-Base interactions energy: -773.363 where: short stacking energy: -330.782 Base-Backbone interact. energy: 0.829 local terms energy: -341.064822 where: bonds (distance) C4'-P energy: -65.092 bonds (distance) P-C4' energy: -67.328 flat angles C4'-P-C4' energy: -75.332 flat angles P-C4'-P energy: -44.360 tors. eta vs tors. theta energy: -88.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1060.772220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.772220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.772220 (E_RNA) where: Base-Base interactions energy: -764.372 where: short stacking energy: -310.915 Base-Backbone interact. energy: 0.241 local terms energy: -296.641739 where: bonds (distance) C4'-P energy: -60.458 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -61.513 flat angles P-C4'-P energy: -36.327 tors. eta vs tors. theta energy: -76.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -951.645721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.645721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.645721 (E_RNA) where: Base-Base interactions energy: -654.426 where: short stacking energy: -270.294 Base-Backbone interact. energy: -0.359 local terms energy: -296.860169 where: bonds (distance) C4'-P energy: -72.419 bonds (distance) P-C4' energy: -57.512 flat angles C4'-P-C4' energy: -59.251 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -63.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -764.850712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.850712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.850712 (E_RNA) where: Base-Base interactions energy: -512.070 where: short stacking energy: -238.492 Base-Backbone interact. energy: -1.364 local terms energy: -251.416990 where: bonds (distance) C4'-P energy: -55.081 bonds (distance) P-C4' energy: -53.947 flat angles C4'-P-C4' energy: -47.535 flat angles P-C4'-P energy: -38.710 tors. eta vs tors. theta energy: -56.144 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: 10 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -701.874708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.874708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.874708 (E_RNA) where: Base-Base interactions energy: -470.140 where: short stacking energy: -197.508 Base-Backbone interact. energy: -1.315 local terms energy: -230.419457 where: bonds (distance) C4'-P energy: -62.003 bonds (distance) P-C4' energy: -54.849 flat angles C4'-P-C4' energy: -56.452 flat angles P-C4'-P energy: -33.640 tors. eta vs tors. theta energy: -23.475 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: 2 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -523.453006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.453006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.453006 (E_RNA) where: Base-Base interactions energy: -308.638 where: short stacking energy: -171.237 Base-Backbone interact. energy: -0.042 local terms energy: -214.772471 where: bonds (distance) C4'-P energy: -54.471 bonds (distance) P-C4' energy: -50.629 flat angles C4'-P-C4' energy: -49.347 flat angles P-C4'-P energy: -35.994 tors. eta vs tors. theta energy: -24.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1335.093046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.093046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.093046 (E_RNA) where: Base-Base interactions energy: -941.527 where: short stacking energy: -382.640 Base-Backbone interact. energy: -0.938 local terms energy: -392.628274 where: bonds (distance) C4'-P energy: -69.219 bonds (distance) P-C4' energy: -80.969 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -52.345 tors. eta vs tors. theta energy: -110.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1268.827697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.827697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.827697 (E_RNA) where: Base-Base interactions energy: -894.740 where: short stacking energy: -359.831 Base-Backbone interact. energy: -2.400 local terms energy: -371.687956 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -69.444 flat angles C4'-P-C4' energy: -80.709 flat angles P-C4'-P energy: -55.500 tors. eta vs tors. theta energy: -96.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1212.633709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.633709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.633709 (E_RNA) where: Base-Base interactions energy: -867.643 where: short stacking energy: -343.140 Base-Backbone interact. energy: 2.100 local terms energy: -347.090055 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -57.851 flat angles C4'-P-C4' energy: -77.392 flat angles P-C4'-P energy: -49.428 tors. eta vs tors. theta energy: -96.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1162.958033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.958033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.958033 (E_RNA) where: Base-Base interactions energy: -828.488 where: short stacking energy: -341.323 Base-Backbone interact. energy: -0.222 local terms energy: -334.248210 where: bonds (distance) C4'-P energy: -66.228 bonds (distance) P-C4' energy: -54.594 flat angles C4'-P-C4' energy: -75.376 flat angles P-C4'-P energy: -50.638 tors. eta vs tors. theta energy: -87.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1091.833743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.833743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.833743 (E_RNA) where: Base-Base interactions energy: -798.795 where: short stacking energy: -328.881 Base-Backbone interact. energy: -0.415 local terms energy: -292.623994 where: bonds (distance) C4'-P energy: -51.876 bonds (distance) P-C4' energy: -52.593 flat angles C4'-P-C4' energy: -66.533 flat angles P-C4'-P energy: -44.841 tors. eta vs tors. theta energy: -76.780 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: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1083.031612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.031612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.031612 (E_RNA) where: Base-Base interactions energy: -781.568 where: short stacking energy: -332.192 Base-Backbone interact. energy: -2.446 local terms energy: -299.018064 where: bonds (distance) C4'-P energy: -44.403 bonds (distance) P-C4' energy: -50.623 flat angles C4'-P-C4' energy: -69.446 flat angles P-C4'-P energy: -51.449 tors. eta vs tors. theta energy: -83.098 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: 6 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -988.428783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.428783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.428783 (E_RNA) where: Base-Base interactions energy: -679.813 where: short stacking energy: -299.789 Base-Backbone interact. energy: 0.259 local terms energy: -308.874942 where: bonds (distance) C4'-P energy: -55.272 bonds (distance) P-C4' energy: -63.154 flat angles C4'-P-C4' energy: -76.974 flat angles P-C4'-P energy: -45.074 tors. eta vs tors. theta energy: -68.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -773.953758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.953758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.953758 (E_RNA) where: Base-Base interactions energy: -506.491 where: short stacking energy: -241.255 Base-Backbone interact. energy: -0.304 local terms energy: -267.158374 where: bonds (distance) C4'-P energy: -60.423 bonds (distance) P-C4' energy: -63.159 flat angles C4'-P-C4' energy: -55.019 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -50.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -679.208495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.208495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.208495 (E_RNA) where: Base-Base interactions energy: -440.578 where: short stacking energy: -205.099 Base-Backbone interact. energy: 0.239 local terms energy: -238.870158 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -56.724 flat angles C4'-P-C4' energy: -42.701 flat angles P-C4'-P energy: -42.633 tors. eta vs tors. theta energy: -42.683 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: 10, replica: 2 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -500.937165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.937165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.937165 (E_RNA) where: Base-Base interactions energy: -295.668 where: short stacking energy: -155.447 Base-Backbone interact. energy: 1.989 local terms energy: -207.258479 where: bonds (distance) C4'-P energy: -56.521 bonds (distance) P-C4' energy: -57.719 flat angles C4'-P-C4' energy: -52.577 flat angles P-C4'-P energy: -28.474 tors. eta vs tors. theta energy: -11.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1352.659505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.659505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.659505 (E_RNA) where: Base-Base interactions energy: -966.273 where: short stacking energy: -407.759 Base-Backbone interact. energy: -2.004 local terms energy: -384.382356 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -61.273 flat angles C4'-P-C4' energy: -80.093 flat angles P-C4'-P energy: -56.943 tors. eta vs tors. theta energy: -118.417 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: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1248.558545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.558545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.558545 (E_RNA) where: Base-Base interactions energy: -884.170 where: short stacking energy: -350.361 Base-Backbone interact. energy: -0.966 local terms energy: -363.422358 where: bonds (distance) C4'-P energy: -68.271 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -77.034 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -98.449 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: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1233.704563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.704563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.704563 (E_RNA) where: Base-Base interactions energy: -904.109 where: short stacking energy: -367.214 Base-Backbone interact. energy: 0.263 local terms energy: -329.858068 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -61.000 flat angles C4'-P-C4' energy: -69.930 flat angles P-C4'-P energy: -45.862 tors. eta vs tors. theta energy: -92.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1120.562010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.562010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.562010 (E_RNA) where: Base-Base interactions energy: -788.963 where: short stacking energy: -317.948 Base-Backbone interact. energy: -0.864 local terms energy: -330.734328 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -74.980 flat angles P-C4'-P energy: -34.510 tors. eta vs tors. theta energy: -87.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1115.333104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.333104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.333104 (E_RNA) where: Base-Base interactions energy: -790.398 where: short stacking energy: -334.989 Base-Backbone interact. energy: 2.028 local terms energy: -326.963473 where: bonds (distance) C4'-P energy: -63.622 bonds (distance) P-C4' energy: -67.913 flat angles C4'-P-C4' energy: -68.108 flat angles P-C4'-P energy: -41.450 tors. eta vs tors. theta energy: -85.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1073.473690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.473690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.473690 (E_RNA) where: Base-Base interactions energy: -751.064 where: short stacking energy: -328.629 Base-Backbone interact. energy: -1.647 local terms energy: -320.763387 where: bonds (distance) C4'-P energy: -59.028 bonds (distance) P-C4' energy: -57.706 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -41.624 tors. eta vs tors. theta energy: -90.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -975.233887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.233887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.233887 (E_RNA) where: Base-Base interactions energy: -674.252 where: short stacking energy: -292.758 Base-Backbone interact. energy: 6.681 local terms energy: -307.663236 where: bonds (distance) C4'-P energy: -59.757 bonds (distance) P-C4' energy: -65.019 flat angles C4'-P-C4' energy: -62.107 flat angles P-C4'-P energy: -40.906 tors. eta vs tors. theta energy: -79.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -801.009336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.009336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.009336 (E_RNA) where: Base-Base interactions energy: -529.326 where: short stacking energy: -247.943 Base-Backbone interact. energy: -1.144 local terms energy: -270.538848 where: bonds (distance) C4'-P energy: -63.526 bonds (distance) P-C4' energy: -53.018 flat angles C4'-P-C4' energy: -59.286 flat angles P-C4'-P energy: -33.376 tors. eta vs tors. theta energy: -61.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -704.320970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.320970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.320970 (E_RNA) where: Base-Base interactions energy: -449.895 where: short stacking energy: -217.264 Base-Backbone interact. energy: -0.830 local terms energy: -253.595853 where: bonds (distance) C4'-P energy: -64.675 bonds (distance) P-C4' energy: -55.355 flat angles C4'-P-C4' energy: -50.119 flat angles P-C4'-P energy: -36.391 tors. eta vs tors. theta energy: -47.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -499.281704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.281704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.281704 (E_RNA) where: Base-Base interactions energy: -295.133 where: short stacking energy: -127.884 Base-Backbone interact. energy: -1.550 local terms energy: -202.598407 where: bonds (distance) C4'-P energy: -53.122 bonds (distance) P-C4' energy: -62.214 flat angles C4'-P-C4' energy: -57.690 flat angles P-C4'-P energy: -26.451 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1349.555508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.555508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.555508 (E_RNA) where: Base-Base interactions energy: -950.413 where: short stacking energy: -397.596 Base-Backbone interact. energy: -1.331 local terms energy: -397.811483 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -77.327 flat angles P-C4'-P energy: -59.281 tors. eta vs tors. theta energy: -122.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1266.649983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.649983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.649983 (E_RNA) where: Base-Base interactions energy: -891.039 where: short stacking energy: -380.012 Base-Backbone interact. energy: -0.320 local terms energy: -375.291526 where: bonds (distance) C4'-P energy: -75.851 bonds (distance) P-C4' energy: -69.442 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -40.956 tors. eta vs tors. theta energy: -106.857 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: 7 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1238.342527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.342527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.342527 (E_RNA) where: Base-Base interactions energy: -902.850 where: short stacking energy: -372.139 Base-Backbone interact. energy: 0.533 local terms energy: -336.025844 where: bonds (distance) C4'-P energy: -55.615 bonds (distance) P-C4' energy: -56.408 flat angles C4'-P-C4' energy: -77.771 flat angles P-C4'-P energy: -51.563 tors. eta vs tors. theta energy: -94.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1122.847536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.847536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.847536 (E_RNA) where: Base-Base interactions energy: -786.853 where: short stacking energy: -340.019 Base-Backbone interact. energy: -0.633 local terms energy: -335.361385 where: bonds (distance) C4'-P energy: -64.076 bonds (distance) P-C4' energy: -62.194 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -47.479 tors. eta vs tors. theta energy: -91.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1098.621446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.621446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.621446 (E_RNA) where: Base-Base interactions energy: -769.666 where: short stacking energy: -319.531 Base-Backbone interact. energy: -0.748 local terms energy: -328.207269 where: bonds (distance) C4'-P energy: -65.966 bonds (distance) P-C4' energy: -59.084 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -52.842 tors. eta vs tors. theta energy: -86.536 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: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1096.275479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.275479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.275479 (E_RNA) where: Base-Base interactions energy: -776.771 where: short stacking energy: -337.080 Base-Backbone interact. energy: -0.366 local terms energy: -319.138117 where: bonds (distance) C4'-P energy: -64.843 bonds (distance) P-C4' energy: -45.514 flat angles C4'-P-C4' energy: -63.886 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -92.463 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: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -952.489655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.489655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.489655 (E_RNA) where: Base-Base interactions energy: -657.238 where: short stacking energy: -301.852 Base-Backbone interact. energy: -0.638 local terms energy: -294.613500 where: bonds (distance) C4'-P energy: -46.321 bonds (distance) P-C4' energy: -57.791 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -78.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -798.219521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.219521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.219521 (E_RNA) where: Base-Base interactions energy: -525.189 where: short stacking energy: -241.214 Base-Backbone interact. energy: -0.790 local terms energy: -272.240623 where: bonds (distance) C4'-P energy: -46.550 bonds (distance) P-C4' energy: -69.579 flat angles C4'-P-C4' energy: -56.308 flat angles P-C4'-P energy: -39.009 tors. eta vs tors. theta energy: -60.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -675.378391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.378391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.378391 (E_RNA) where: Base-Base interactions energy: -433.790 where: short stacking energy: -194.194 Base-Backbone interact. energy: -3.170 local terms energy: -238.417882 where: bonds (distance) C4'-P energy: -58.644 bonds (distance) P-C4' energy: -61.085 flat angles C4'-P-C4' energy: -65.675 flat angles P-C4'-P energy: -17.437 tors. eta vs tors. theta energy: -35.576 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: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -563.975702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.975702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.975702 (E_RNA) where: Base-Base interactions energy: -334.197 where: short stacking energy: -179.585 Base-Backbone interact. energy: -0.112 local terms energy: -229.667055 where: bonds (distance) C4'-P energy: -67.109 bonds (distance) P-C4' energy: -52.127 flat angles C4'-P-C4' energy: -50.983 flat angles P-C4'-P energy: -22.870 tors. eta vs tors. theta energy: -36.579 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: 391 Temperature: 0.900000 Total energy: -1345.060414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.060414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.060414 (E_RNA) where: Base-Base interactions energy: -937.196 where: short stacking energy: -393.768 Base-Backbone interact. energy: -1.215 local terms energy: -406.649362 where: bonds (distance) C4'-P energy: -78.906 bonds (distance) P-C4' energy: -68.764 flat angles C4'-P-C4' energy: -80.620 flat angles P-C4'-P energy: -59.303 tors. eta vs tors. theta energy: -119.055 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: 7 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1250.120024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.120024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.120024 (E_RNA) where: Base-Base interactions energy: -887.476 where: short stacking energy: -364.112 Base-Backbone interact. energy: -1.466 local terms energy: -361.178351 where: bonds (distance) C4'-P energy: -59.791 bonds (distance) P-C4' energy: -74.212 flat angles C4'-P-C4' energy: -79.474 flat angles P-C4'-P energy: -51.415 tors. eta vs tors. theta energy: -96.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1248.310259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.310259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.310259 (E_RNA) where: Base-Base interactions energy: -887.470 where: short stacking energy: -376.227 Base-Backbone interact. energy: 1.524 local terms energy: -362.363996 where: bonds (distance) C4'-P energy: -70.880 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -73.469 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -102.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1134.477820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.477820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.477820 (E_RNA) where: Base-Base interactions energy: -794.186 where: short stacking energy: -328.539 Base-Backbone interact. energy: 0.325 local terms energy: -340.617505 where: bonds (distance) C4'-P energy: -74.383 bonds (distance) P-C4' energy: -66.409 flat angles C4'-P-C4' energy: -74.404 flat angles P-C4'-P energy: -41.931 tors. eta vs tors. theta energy: -83.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1092.628908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.628908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.628908 (E_RNA) where: Base-Base interactions energy: -754.255 where: short stacking energy: -321.320 Base-Backbone interact. energy: -0.911 local terms energy: -337.462982 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -68.633 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -86.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1082.429731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.429731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.429731 (E_RNA) where: Base-Base interactions energy: -752.012 where: short stacking energy: -330.862 Base-Backbone interact. energy: -1.908 local terms energy: -328.509964 where: bonds (distance) C4'-P energy: -55.408 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -76.484 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -83.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -961.445246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.445246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.445246 (E_RNA) where: Base-Base interactions energy: -662.430 where: short stacking energy: -281.244 Base-Backbone interact. energy: 2.986 local terms energy: -302.001837 where: bonds (distance) C4'-P energy: -50.645 bonds (distance) P-C4' energy: -59.248 flat angles C4'-P-C4' energy: -70.964 flat angles P-C4'-P energy: -47.179 tors. eta vs tors. theta energy: -73.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -843.292447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.292447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.292447 (E_RNA) where: Base-Base interactions energy: -561.410 where: short stacking energy: -266.002 Base-Backbone interact. energy: -1.385 local terms energy: -280.497181 where: bonds (distance) C4'-P energy: -48.559 bonds (distance) P-C4' energy: -61.109 flat angles C4'-P-C4' energy: -58.484 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -73.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -671.932293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.932293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.932293 (E_RNA) where: Base-Base interactions energy: -415.532 where: short stacking energy: -218.590 Base-Backbone interact. energy: -1.171 local terms energy: -255.229335 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -57.208 flat angles C4'-P-C4' energy: -60.616 flat angles P-C4'-P energy: -41.115 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: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -522.431076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.431076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.431076 (E_RNA) where: Base-Base interactions energy: -303.344 where: short stacking energy: -141.001 Base-Backbone interact. energy: -1.405 local terms energy: -217.682792 where: bonds (distance) C4'-P energy: -63.160 bonds (distance) P-C4' energy: -67.226 flat angles C4'-P-C4' energy: -51.836 flat angles P-C4'-P energy: -23.199 tors. eta vs tors. theta energy: -12.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1349.008293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.008293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.008293 (E_RNA) where: Base-Base interactions energy: -971.954 where: short stacking energy: -405.612 Base-Backbone interact. energy: -1.081 local terms energy: -375.973659 where: bonds (distance) C4'-P energy: -70.478 bonds (distance) P-C4' energy: -46.417 flat angles C4'-P-C4' energy: -76.095 flat angles P-C4'-P energy: -61.251 tors. eta vs tors. theta energy: -121.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1264.022554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.022554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.022554 (E_RNA) where: Base-Base interactions energy: -910.509 where: short stacking energy: -378.918 Base-Backbone interact. energy: 3.052 local terms energy: -356.565046 where: bonds (distance) C4'-P energy: -66.621 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -65.382 flat angles P-C4'-P energy: -51.310 tors. eta vs tors. theta energy: -103.806 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: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1219.686007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.686007 (E_RNA) where: Base-Base interactions energy: -867.370 where: short stacking energy: -355.092 Base-Backbone interact. energy: 1.460 local terms energy: -353.775252 where: bonds (distance) C4'-P energy: -61.701 bonds (distance) P-C4' energy: -69.678 flat angles C4'-P-C4' energy: -76.930 flat angles P-C4'-P energy: -48.177 tors. eta vs tors. theta energy: -97.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1133.425234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.425234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.425234 (E_RNA) where: Base-Base interactions energy: -809.936 where: short stacking energy: -343.800 Base-Backbone interact. energy: -1.122 local terms energy: -322.367160 where: bonds (distance) C4'-P energy: -45.623 bonds (distance) P-C4' energy: -65.892 flat angles C4'-P-C4' energy: -75.189 flat angles P-C4'-P energy: -42.534 tors. eta vs tors. theta energy: -93.129 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: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1070.559164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.559164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.559164 (E_RNA) where: Base-Base interactions energy: -756.916 where: short stacking energy: -308.540 Base-Backbone interact. energy: 0.441 local terms energy: -314.084131 where: bonds (distance) C4'-P energy: -58.991 bonds (distance) P-C4' energy: -63.879 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -35.184 tors. eta vs tors. theta energy: -81.203 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: 1 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1082.778775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.778775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.778775 (E_RNA) where: Base-Base interactions energy: -771.153 where: short stacking energy: -330.941 Base-Backbone interact. energy: 0.735 local terms energy: -312.360545 where: bonds (distance) C4'-P energy: -54.378 bonds (distance) P-C4' energy: -57.173 flat angles C4'-P-C4' energy: -65.092 flat angles P-C4'-P energy: -48.963 tors. eta vs tors. theta energy: -86.755 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: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -954.410773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.410773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.410773 (E_RNA) where: Base-Base interactions energy: -681.060 where: short stacking energy: -289.966 Base-Backbone interact. energy: 2.183 local terms energy: -275.533695 where: bonds (distance) C4'-P energy: -53.115 bonds (distance) P-C4' energy: -57.719 flat angles C4'-P-C4' energy: -64.004 flat angles P-C4'-P energy: -28.136 tors. eta vs tors. theta energy: -72.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -841.163761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.163761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.163761 (E_RNA) where: Base-Base interactions energy: -544.314 where: short stacking energy: -232.676 Base-Backbone interact. energy: -0.915 local terms energy: -295.935162 where: bonds (distance) C4'-P energy: -63.579 bonds (distance) P-C4' energy: -60.256 flat angles C4'-P-C4' energy: -69.876 flat angles P-C4'-P energy: -44.039 tors. eta vs tors. theta energy: -58.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -698.649752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.649752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.649752 (E_RNA) where: Base-Base interactions energy: -456.247 where: short stacking energy: -197.269 Base-Backbone interact. energy: 1.392 local terms energy: -243.794390 where: bonds (distance) C4'-P energy: -65.253 bonds (distance) P-C4' energy: -63.632 flat angles C4'-P-C4' energy: -54.953 flat angles P-C4'-P energy: -24.541 tors. eta vs tors. theta energy: -35.416 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: 2 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -485.671133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.671133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.671133 (E_RNA) where: Base-Base interactions energy: -281.971 where: short stacking energy: -134.452 Base-Backbone interact. energy: -1.506 local terms energy: -202.194793 where: bonds (distance) C4'-P energy: -43.827 bonds (distance) P-C4' energy: -54.210 flat angles C4'-P-C4' energy: -59.163 flat angles P-C4'-P energy: -32.114 tors. eta vs tors. theta energy: -12.880 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: 393 Temperature: 0.900000 Total energy: -1356.983083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.983083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.983083 (E_RNA) where: Base-Base interactions energy: -964.823 where: short stacking energy: -401.238 Base-Backbone interact. energy: -1.210 local terms energy: -390.949807 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -71.894 flat angles C4'-P-C4' energy: -81.351 flat angles P-C4'-P energy: -55.469 tors. eta vs tors. theta energy: -113.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1265.831001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.831001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.831001 (E_RNA) where: Base-Base interactions energy: -897.656 where: short stacking energy: -362.788 Base-Backbone interact. energy: 0.137 local terms energy: -368.312088 where: bonds (distance) C4'-P energy: -71.551 bonds (distance) P-C4' energy: -78.761 flat angles C4'-P-C4' energy: -65.406 flat angles P-C4'-P energy: -56.788 tors. eta vs tors. theta energy: -95.806 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1230.443740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.443740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.443740 (E_RNA) where: Base-Base interactions energy: -862.302 where: short stacking energy: -374.775 Base-Backbone interact. energy: -0.944 local terms energy: -367.197213 where: bonds (distance) C4'-P energy: -52.636 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -82.995 flat angles P-C4'-P energy: -56.530 tors. eta vs tors. theta energy: -107.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1171.748963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.748963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.748963 (E_RNA) where: Base-Base interactions energy: -802.991 where: short stacking energy: -349.773 Base-Backbone interact. energy: -1.677 local terms energy: -367.081798 where: bonds (distance) C4'-P energy: -68.555 bonds (distance) P-C4' energy: -69.410 flat angles C4'-P-C4' energy: -69.847 flat angles P-C4'-P energy: -61.589 tors. eta vs tors. theta energy: -97.682 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: 5 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1067.799992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.799992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.799992 (E_RNA) where: Base-Base interactions energy: -743.586 where: short stacking energy: -325.925 Base-Backbone interact. energy: 0.750 local terms energy: -324.963958 where: bonds (distance) C4'-P energy: -57.389 bonds (distance) P-C4' energy: -59.487 flat angles C4'-P-C4' energy: -77.162 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -81.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1081.441747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.441747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.441747 (E_RNA) where: Base-Base interactions energy: -744.442 where: short stacking energy: -336.040 Base-Backbone interact. energy: 0.070 local terms energy: -337.070477 where: bonds (distance) C4'-P energy: -61.327 bonds (distance) P-C4' energy: -64.959 flat angles C4'-P-C4' energy: -71.107 flat angles P-C4'-P energy: -44.699 tors. eta vs tors. theta energy: -94.979 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: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -951.841935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.841935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.841935 (E_RNA) where: Base-Base interactions energy: -667.175 where: short stacking energy: -293.651 Base-Backbone interact. energy: 0.527 local terms energy: -285.193532 where: bonds (distance) C4'-P energy: -58.845 bonds (distance) P-C4' energy: -52.902 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -34.393 tors. eta vs tors. theta energy: -64.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -867.703367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.703367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.703367 (E_RNA) where: Base-Base interactions energy: -561.052 where: short stacking energy: -267.488 Base-Backbone interact. energy: -0.184 local terms energy: -306.468008 where: bonds (distance) C4'-P energy: -67.201 bonds (distance) P-C4' energy: -53.293 flat angles C4'-P-C4' energy: -63.126 flat angles P-C4'-P energy: -43.279 tors. eta vs tors. theta energy: -79.569 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: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -692.864423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.864423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.864423 (E_RNA) where: Base-Base interactions energy: -427.674 where: short stacking energy: -199.592 Base-Backbone interact. energy: 4.531 local terms energy: -269.721741 where: bonds (distance) C4'-P energy: -53.558 bonds (distance) P-C4' energy: -62.322 flat angles C4'-P-C4' energy: -65.080 flat angles P-C4'-P energy: -44.893 tors. eta vs tors. theta energy: -43.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -461.576052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.576052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.576052 (E_RNA) where: Base-Base interactions energy: -262.879 where: short stacking energy: -139.380 Base-Backbone interact. energy: -1.008 local terms energy: -197.688933 where: bonds (distance) C4'-P energy: -59.538 bonds (distance) P-C4' energy: -44.566 flat angles C4'-P-C4' energy: -44.533 flat angles P-C4'-P energy: -43.733 tors. eta vs tors. theta energy: -5.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1359.823162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.823162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.823162 (E_RNA) where: Base-Base interactions energy: -947.141 where: short stacking energy: -396.413 Base-Backbone interact. energy: -1.124 local terms energy: -411.557849 where: bonds (distance) C4'-P energy: -74.978 bonds (distance) P-C4' energy: -73.522 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -117.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1271.156944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.156944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.156944 (E_RNA) where: Base-Base interactions energy: -900.834 where: short stacking energy: -363.422 Base-Backbone interact. energy: -1.911 local terms energy: -368.411482 where: bonds (distance) C4'-P energy: -72.308 bonds (distance) P-C4' energy: -73.426 flat angles C4'-P-C4' energy: -76.191 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -97.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1219.479283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.479283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.479283 (E_RNA) where: Base-Base interactions energy: -859.146 where: short stacking energy: -370.628 Base-Backbone interact. energy: -0.685 local terms energy: -359.647924 where: bonds (distance) C4'-P energy: -59.961 bonds (distance) P-C4' energy: -67.249 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -49.635 tors. eta vs tors. theta energy: -106.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1169.450129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.450129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.450129 (E_RNA) where: Base-Base interactions energy: -829.590 where: short stacking energy: -361.603 Base-Backbone interact. energy: 0.248 local terms energy: -340.107366 where: bonds (distance) C4'-P energy: -65.087 bonds (distance) P-C4' energy: -61.773 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -46.256 tors. eta vs tors. theta energy: -100.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1116.245930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.245930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.245930 (E_RNA) where: Base-Base interactions energy: -782.497 where: short stacking energy: -349.604 Base-Backbone interact. energy: -1.977 local terms energy: -331.771328 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -62.579 flat angles C4'-P-C4' energy: -70.043 flat angles P-C4'-P energy: -51.566 tors. eta vs tors. theta energy: -87.869 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: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1056.204861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.204861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.204861 (E_RNA) where: Base-Base interactions energy: -727.193 where: short stacking energy: -326.052 Base-Backbone interact. energy: -0.371 local terms energy: -328.641229 where: bonds (distance) C4'-P energy: -62.646 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -65.193 flat angles P-C4'-P energy: -46.892 tors. eta vs tors. theta energy: -90.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -956.283885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.283885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.283885 (E_RNA) where: Base-Base interactions energy: -680.084 where: short stacking energy: -295.236 Base-Backbone interact. energy: -0.932 local terms energy: -275.268045 where: bonds (distance) C4'-P energy: -43.682 bonds (distance) P-C4' energy: -41.029 flat angles C4'-P-C4' energy: -67.176 flat angles P-C4'-P energy: -44.493 tors. eta vs tors. theta energy: -78.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -882.208598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.208598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.208598 (E_RNA) where: Base-Base interactions energy: -590.408 where: short stacking energy: -261.003 Base-Backbone interact. energy: -2.184 local terms energy: -289.617063 where: bonds (distance) C4'-P energy: -52.837 bonds (distance) P-C4' energy: -62.603 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -65.013 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: 10 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -690.688392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.688392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.688392 (E_RNA) where: Base-Base interactions energy: -430.615 where: short stacking energy: -193.899 Base-Backbone interact. energy: 0.429 local terms energy: -260.502666 where: bonds (distance) C4'-P energy: -60.861 bonds (distance) P-C4' energy: -47.079 flat angles C4'-P-C4' energy: -67.460 flat angles P-C4'-P energy: -41.297 tors. eta vs tors. theta energy: -43.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -377.933860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.933860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.933860 (E_RNA) where: Base-Base interactions energy: -181.191 where: short stacking energy: -121.002 Base-Backbone interact. energy: 1.577 local terms energy: -198.319530 where: bonds (distance) C4'-P energy: -62.583 bonds (distance) P-C4' energy: -53.833 flat angles C4'-P-C4' energy: -53.864 flat angles P-C4'-P energy: -31.229 tors. eta vs tors. theta energy: 3.189 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: 4 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1351.644204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.644204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.644204 (E_RNA) where: Base-Base interactions energy: -957.721 where: short stacking energy: -403.332 Base-Backbone interact. energy: -1.506 local terms energy: -392.416795 where: bonds (distance) C4'-P energy: -76.657 bonds (distance) P-C4' energy: -63.570 flat angles C4'-P-C4' energy: -76.464 flat angles P-C4'-P energy: -56.395 tors. eta vs tors. theta energy: -119.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1273.750006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.750006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.750006 (E_RNA) where: Base-Base interactions energy: -914.645 where: short stacking energy: -375.406 Base-Backbone interact. energy: -1.932 local terms energy: -357.172493 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -67.945 flat angles C4'-P-C4' energy: -65.404 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -101.596 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: 395 Temperature: 1.000000 Total energy: -1216.659629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.659629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.659629 (E_RNA) where: Base-Base interactions energy: -881.849 where: short stacking energy: -368.157 Base-Backbone interact. energy: -1.586 local terms energy: -333.224336 where: bonds (distance) C4'-P energy: -64.726 bonds (distance) P-C4' energy: -55.417 flat angles C4'-P-C4' energy: -72.728 flat angles P-C4'-P energy: -46.249 tors. eta vs tors. theta energy: -94.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1185.109163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.109163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.109163 (E_RNA) where: Base-Base interactions energy: -842.262 where: short stacking energy: -332.742 Base-Backbone interact. energy: -0.625 local terms energy: -342.221901 where: bonds (distance) C4'-P energy: -63.249 bonds (distance) P-C4' energy: -68.185 flat angles C4'-P-C4' energy: -70.402 flat angles P-C4'-P energy: -45.663 tors. eta vs tors. theta energy: -94.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1127.250378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.250378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.250378 (E_RNA) where: Base-Base interactions energy: -791.844 where: short stacking energy: -352.988 Base-Backbone interact. energy: -1.034 local terms energy: -334.372838 where: bonds (distance) C4'-P energy: -57.399 bonds (distance) P-C4' energy: -59.501 flat angles C4'-P-C4' energy: -76.694 flat angles P-C4'-P energy: -49.868 tors. eta vs tors. theta energy: -90.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1026.828041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.828041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.828041 (E_RNA) where: Base-Base interactions energy: -697.911 where: short stacking energy: -293.565 Base-Backbone interact. energy: -0.377 local terms energy: -328.540217 where: bonds (distance) C4'-P energy: -71.772 bonds (distance) P-C4' energy: -62.409 flat angles C4'-P-C4' energy: -73.888 flat angles P-C4'-P energy: -43.546 tors. eta vs tors. theta energy: -76.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -961.420226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.420226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.420226 (E_RNA) where: Base-Base interactions energy: -677.523 where: short stacking energy: -300.418 Base-Backbone interact. energy: 6.494 local terms energy: -290.390897 where: bonds (distance) C4'-P energy: -48.426 bonds (distance) P-C4' energy: -50.666 flat angles C4'-P-C4' energy: -77.852 flat angles P-C4'-P energy: -42.012 tors. eta vs tors. theta energy: -71.435 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: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -896.012577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.012577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.012577 (E_RNA) where: Base-Base interactions energy: -591.192 where: short stacking energy: -274.301 Base-Backbone interact. energy: -1.305 local terms energy: -303.515559 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -57.403 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: -78.001 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: 9, replica: 10 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -652.371048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.371048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.371048 (E_RNA) where: Base-Base interactions energy: -419.900 where: short stacking energy: -211.827 Base-Backbone interact. energy: 0.502 local terms energy: -232.973098 where: bonds (distance) C4'-P energy: -44.689 bonds (distance) P-C4' energy: -57.287 flat angles C4'-P-C4' energy: -55.596 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -31.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -412.904499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.904499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.904499 (E_RNA) where: Base-Base interactions energy: -204.080 where: short stacking energy: -133.226 Base-Backbone interact. energy: -1.326 local terms energy: -207.498789 where: bonds (distance) C4'-P energy: -45.510 bonds (distance) P-C4' energy: -57.004 flat angles C4'-P-C4' energy: -58.046 flat angles P-C4'-P energy: -25.419 tors. eta vs tors. theta energy: -21.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1311.557115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.557115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.557115 (E_RNA) where: Base-Base interactions energy: -944.584 where: short stacking energy: -386.598 Base-Backbone interact. energy: 0.271 local terms energy: -367.244197 where: bonds (distance) C4'-P energy: -75.262 bonds (distance) P-C4' energy: -63.970 flat angles C4'-P-C4' energy: -76.173 flat angles P-C4'-P energy: -54.356 tors. eta vs tors. theta energy: -97.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1312.572418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.572418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.572418 (E_RNA) where: Base-Base interactions energy: -927.678 where: short stacking energy: -392.067 Base-Backbone interact. energy: -1.518 local terms energy: -383.376276 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -66.010 flat angles C4'-P-C4' energy: -82.534 flat angles P-C4'-P energy: -56.280 tors. eta vs tors. theta energy: -109.766 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: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1236.077399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.077399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.077399 (E_RNA) where: Base-Base interactions energy: -868.349 where: short stacking energy: -359.628 Base-Backbone interact. energy: -0.400 local terms energy: -367.328322 where: bonds (distance) C4'-P energy: -62.383 bonds (distance) P-C4' energy: -69.756 flat angles C4'-P-C4' energy: -79.772 flat angles P-C4'-P energy: -54.502 tors. eta vs tors. theta energy: -100.916 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: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1158.390587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.390587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.390587 (E_RNA) where: Base-Base interactions energy: -821.136 where: short stacking energy: -338.992 Base-Backbone interact. energy: -2.716 local terms energy: -334.538759 where: bonds (distance) C4'-P energy: -63.092 bonds (distance) P-C4' energy: -54.462 flat angles C4'-P-C4' energy: -68.454 flat angles P-C4'-P energy: -56.217 tors. eta vs tors. theta energy: -92.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1112.453416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.453416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.453416 (E_RNA) where: Base-Base interactions energy: -775.788 where: short stacking energy: -334.126 Base-Backbone interact. energy: -0.214 local terms energy: -336.450876 where: bonds (distance) C4'-P energy: -61.051 bonds (distance) P-C4' energy: -66.906 flat angles C4'-P-C4' energy: -76.472 flat angles P-C4'-P energy: -38.116 tors. eta vs tors. theta energy: -93.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1040.165902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.165902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.165902 (E_RNA) where: Base-Base interactions energy: -710.077 where: short stacking energy: -299.550 Base-Backbone interact. energy: -0.765 local terms energy: -329.323893 where: bonds (distance) C4'-P energy: -72.072 bonds (distance) P-C4' energy: -61.197 flat angles C4'-P-C4' energy: -74.246 flat angles P-C4'-P energy: -39.623 tors. eta vs tors. theta energy: -82.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -972.619800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.619800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.619800 (E_RNA) where: Base-Base interactions energy: -666.655 where: short stacking energy: -284.481 Base-Backbone interact. energy: -0.468 local terms energy: -305.497681 where: bonds (distance) C4'-P energy: -56.884 bonds (distance) P-C4' energy: -61.550 flat angles C4'-P-C4' energy: -69.955 flat angles P-C4'-P energy: -44.978 tors. eta vs tors. theta energy: -72.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -859.322618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.322618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.322618 (E_RNA) where: Base-Base interactions energy: -586.477 where: short stacking energy: -267.046 Base-Backbone interact. energy: -1.967 local terms energy: -270.877691 where: bonds (distance) C4'-P energy: -43.037 bonds (distance) P-C4' energy: -54.783 flat angles C4'-P-C4' energy: -65.913 flat angles P-C4'-P energy: -41.221 tors. eta vs tors. theta energy: -65.923 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: 10 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -659.283428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.283428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.283428 (E_RNA) where: Base-Base interactions energy: -424.003 where: short stacking energy: -198.259 Base-Backbone interact. energy: -0.161 local terms energy: -235.119878 where: bonds (distance) C4'-P energy: -43.471 bonds (distance) P-C4' energy: -59.390 flat angles C4'-P-C4' energy: -61.820 flat angles P-C4'-P energy: -37.025 tors. eta vs tors. theta energy: -33.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -419.068522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.068522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.068522 (E_RNA) where: Base-Base interactions energy: -232.391 where: short stacking energy: -139.653 Base-Backbone interact. energy: 0.969 local terms energy: -187.646913 where: bonds (distance) C4'-P energy: -52.346 bonds (distance) P-C4' energy: -54.265 flat angles C4'-P-C4' energy: -52.429 flat angles P-C4'-P energy: -22.836 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1290.301952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.301952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.301952 (E_RNA) where: Base-Base interactions energy: -924.025 where: short stacking energy: -389.708 Base-Backbone interact. energy: -1.404 local terms energy: -364.873661 where: bonds (distance) C4'-P energy: -62.978 bonds (distance) P-C4' energy: -61.721 flat angles C4'-P-C4' energy: -83.988 flat angles P-C4'-P energy: -54.542 tors. eta vs tors. theta energy: -101.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1325.343735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.343735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.343735 (E_RNA) where: Base-Base interactions energy: -956.395 where: short stacking energy: -405.876 Base-Backbone interact. energy: -1.634 local terms energy: -367.315011 where: bonds (distance) C4'-P energy: -67.656 bonds (distance) P-C4' energy: -58.276 flat angles C4'-P-C4' energy: -76.902 flat angles P-C4'-P energy: -46.955 tors. eta vs tors. theta energy: -117.526 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: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1218.232863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.232863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.232863 (E_RNA) where: Base-Base interactions energy: -859.250 where: short stacking energy: -355.801 Base-Backbone interact. energy: -0.254 local terms energy: -358.728310 where: bonds (distance) C4'-P energy: -61.671 bonds (distance) P-C4' energy: -60.654 flat angles C4'-P-C4' energy: -77.109 flat angles P-C4'-P energy: -55.207 tors. eta vs tors. theta energy: -104.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1187.700466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.700466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.700466 (E_RNA) where: Base-Base interactions energy: -844.547 where: short stacking energy: -358.922 Base-Backbone interact. energy: -3.526 local terms energy: -339.626794 where: bonds (distance) C4'-P energy: -67.630 bonds (distance) P-C4' energy: -63.723 flat angles C4'-P-C4' energy: -62.835 flat angles P-C4'-P energy: -53.167 tors. eta vs tors. theta energy: -92.272 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: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1102.061947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.061947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.061947 (E_RNA) where: Base-Base interactions energy: -750.352 where: short stacking energy: -340.974 Base-Backbone interact. energy: 1.570 local terms energy: -353.279956 where: bonds (distance) C4'-P energy: -65.453 bonds (distance) P-C4' energy: -73.820 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -48.112 tors. eta vs tors. theta energy: -88.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1022.921018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.921018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.921018 (E_RNA) where: Base-Base interactions energy: -712.201 where: short stacking energy: -301.598 Base-Backbone interact. energy: -1.934 local terms energy: -308.786676 where: bonds (distance) C4'-P energy: -61.397 bonds (distance) P-C4' energy: -55.940 flat angles C4'-P-C4' energy: -65.924 flat angles P-C4'-P energy: -47.492 tors. eta vs tors. theta energy: -78.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -969.690201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.690201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.690201 (E_RNA) where: Base-Base interactions energy: -686.044 where: short stacking energy: -296.506 Base-Backbone interact. energy: -0.483 local terms energy: -283.162613 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -57.867 flat angles C4'-P-C4' energy: -59.406 flat angles P-C4'-P energy: -39.905 tors. eta vs tors. theta energy: -70.647 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: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -886.662471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.662471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.662471 (E_RNA) where: Base-Base interactions energy: -594.542 where: short stacking energy: -258.114 Base-Backbone interact. energy: -1.804 local terms energy: -290.316155 where: bonds (distance) C4'-P energy: -59.422 bonds (distance) P-C4' energy: -63.905 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -28.527 tors. eta vs tors. theta energy: -69.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -640.049058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.049058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.049058 (E_RNA) where: Base-Base interactions energy: -409.482 where: short stacking energy: -187.752 Base-Backbone interact. energy: -1.507 local terms energy: -229.059939 where: bonds (distance) C4'-P energy: -65.160 bonds (distance) P-C4' energy: -51.698 flat angles C4'-P-C4' energy: -44.681 flat angles P-C4'-P energy: -25.220 tors. eta vs tors. theta energy: -42.301 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: 2 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -407.670114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.670114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.670114 (E_RNA) where: Base-Base interactions energy: -222.413 where: short stacking energy: -118.909 Base-Backbone interact. energy: 1.492 local terms energy: -186.748998 where: bonds (distance) C4'-P energy: -46.843 bonds (distance) P-C4' energy: -46.928 flat angles C4'-P-C4' energy: -55.951 flat angles P-C4'-P energy: -26.502 tors. eta vs tors. theta energy: -10.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1299.590486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.590486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.590486 (E_RNA) where: Base-Base interactions energy: -940.591 where: short stacking energy: -394.587 Base-Backbone interact. energy: -0.741 local terms energy: -358.259314 where: bonds (distance) C4'-P energy: -61.179 bonds (distance) P-C4' energy: -69.575 flat angles C4'-P-C4' energy: -83.234 flat angles P-C4'-P energy: -44.321 tors. eta vs tors. theta energy: -99.950 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: 398 Temperature: 0.950000 Total energy: -1320.700768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.700768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.700768 (E_RNA) where: Base-Base interactions energy: -929.171 where: short stacking energy: -390.853 Base-Backbone interact. energy: -0.808 local terms energy: -390.721740 where: bonds (distance) C4'-P energy: -69.123 bonds (distance) P-C4' energy: -66.676 flat angles C4'-P-C4' energy: -82.485 flat angles P-C4'-P energy: -64.391 tors. eta vs tors. theta energy: -108.046 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: 398 Temperature: 1.000000 Total energy: -1226.121643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.121643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.121643 (E_RNA) where: Base-Base interactions energy: -876.241 where: short stacking energy: -356.709 Base-Backbone interact. energy: 1.773 local terms energy: -351.653973 where: bonds (distance) C4'-P energy: -70.941 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -45.501 tors. eta vs tors. theta energy: -98.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1162.112462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.112462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.112462 (E_RNA) where: Base-Base interactions energy: -835.032 where: short stacking energy: -331.607 Base-Backbone interact. energy: 0.648 local terms energy: -327.728914 where: bonds (distance) C4'-P energy: -61.471 bonds (distance) P-C4' energy: -67.152 flat angles C4'-P-C4' energy: -74.920 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -79.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1111.135884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.135884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.135884 (E_RNA) where: Base-Base interactions energy: -780.142 where: short stacking energy: -330.459 Base-Backbone interact. energy: 1.197 local terms energy: -332.191557 where: bonds (distance) C4'-P energy: -59.821 bonds (distance) P-C4' energy: -70.116 flat angles C4'-P-C4' energy: -65.321 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -89.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1061.185447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.185447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.185447 (E_RNA) where: Base-Base interactions energy: -767.578 where: short stacking energy: -304.135 Base-Backbone interact. energy: -1.062 local terms energy: -292.544854 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -49.589 flat angles C4'-P-C4' energy: -67.048 flat angles P-C4'-P energy: -35.945 tors. eta vs tors. theta energy: -81.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -914.886214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.886214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.886214 (E_RNA) where: Base-Base interactions energy: -605.966 where: short stacking energy: -282.872 Base-Backbone interact. energy: 0.308 local terms energy: -309.227555 where: bonds (distance) C4'-P energy: -48.974 bonds (distance) P-C4' energy: -50.862 flat angles C4'-P-C4' energy: -77.824 flat angles P-C4'-P energy: -52.298 tors. eta vs tors. theta energy: -79.269 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: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -960.810554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.810554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.810554 (E_RNA) where: Base-Base interactions energy: -650.650 where: short stacking energy: -278.172 Base-Backbone interact. energy: -0.262 local terms energy: -309.898434 where: bonds (distance) C4'-P energy: -62.578 bonds (distance) P-C4' energy: -60.072 flat angles C4'-P-C4' energy: -70.256 flat angles P-C4'-P energy: -47.572 tors. eta vs tors. theta energy: -69.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -696.742495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.742495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.742495 (E_RNA) where: Base-Base interactions energy: -443.397 where: short stacking energy: -210.320 Base-Backbone interact. energy: 1.058 local terms energy: -254.403971 where: bonds (distance) C4'-P energy: -62.264 bonds (distance) P-C4' energy: -62.274 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -28.922 tors. eta vs tors. theta energy: -42.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -444.659752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.659752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.659752 (E_RNA) where: Base-Base interactions energy: -251.462 where: short stacking energy: -143.547 Base-Backbone interact. energy: 0.503 local terms energy: -193.701282 where: bonds (distance) C4'-P energy: -59.015 bonds (distance) P-C4' energy: -44.513 flat angles C4'-P-C4' energy: -48.719 flat angles P-C4'-P energy: -34.110 tors. eta vs tors. theta energy: -7.345 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: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1298.056358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.056358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.056358 (E_RNA) where: Base-Base interactions energy: -919.813 where: short stacking energy: -376.958 Base-Backbone interact. energy: 0.122 local terms energy: -378.364528 where: bonds (distance) C4'-P energy: -77.569 bonds (distance) P-C4' energy: -68.552 flat angles C4'-P-C4' energy: -71.704 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -100.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1339.613080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.613080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.613080 (E_RNA) where: Base-Base interactions energy: -957.608 where: short stacking energy: -400.753 Base-Backbone interact. energy: -1.110 local terms energy: -380.895095 where: bonds (distance) C4'-P energy: -59.003 bonds (distance) P-C4' energy: -69.300 flat angles C4'-P-C4' energy: -80.541 flat angles P-C4'-P energy: -61.725 tors. eta vs tors. theta energy: -110.325 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: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1226.551978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.551978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.551978 (E_RNA) where: Base-Base interactions energy: -871.767 where: short stacking energy: -366.342 Base-Backbone interact. energy: -0.860 local terms energy: -353.924175 where: bonds (distance) C4'-P energy: -61.427 bonds (distance) P-C4' energy: -71.999 flat angles C4'-P-C4' energy: -65.973 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -102.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1168.633495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.633495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.633495 (E_RNA) where: Base-Base interactions energy: -828.552 where: short stacking energy: -331.858 Base-Backbone interact. energy: -1.342 local terms energy: -338.739414 where: bonds (distance) C4'-P energy: -56.097 bonds (distance) P-C4' energy: -71.172 flat angles C4'-P-C4' energy: -73.732 flat angles P-C4'-P energy: -51.877 tors. eta vs tors. theta energy: -85.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1101.905449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.905449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.905449 (E_RNA) where: Base-Base interactions energy: -786.576 where: short stacking energy: -341.175 Base-Backbone interact. energy: -1.539 local terms energy: -313.790046 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -54.428 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -46.119 tors. eta vs tors. theta energy: -82.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1061.520772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.520772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.520772 (E_RNA) where: Base-Base interactions energy: -760.951 where: short stacking energy: -314.045 Base-Backbone interact. energy: -0.536 local terms energy: -300.033417 where: bonds (distance) C4'-P energy: -45.460 bonds (distance) P-C4' energy: -58.214 flat angles C4'-P-C4' energy: -71.695 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -80.490 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: 399 Temperature: 1.200000 Total energy: -895.792887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.792887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.792887 (E_RNA) where: Base-Base interactions energy: -599.758 where: short stacking energy: -285.417 Base-Backbone interact. energy: -0.364 local terms energy: -295.670906 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -58.568 flat angles C4'-P-C4' energy: -69.860 flat angles P-C4'-P energy: -32.879 tors. eta vs tors. theta energy: -77.935 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: 6 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -944.532013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.532013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.532013 (E_RNA) where: Base-Base interactions energy: -657.203 where: short stacking energy: -280.047 Base-Backbone interact. energy: -1.588 local terms energy: -285.741061 where: bonds (distance) C4'-P energy: -51.051 bonds (distance) P-C4' energy: -53.102 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -39.454 tors. eta vs tors. theta energy: -70.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -705.924279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.924279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.924279 (E_RNA) where: Base-Base interactions energy: -436.546 where: short stacking energy: -218.145 Base-Backbone interact. energy: -0.348 local terms energy: -269.030491 where: bonds (distance) C4'-P energy: -51.780 bonds (distance) P-C4' energy: -69.803 flat angles C4'-P-C4' energy: -61.555 flat angles P-C4'-P energy: -40.670 tors. eta vs tors. theta energy: -45.223 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: 2 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -412.863622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.863622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.863622 (E_RNA) where: Base-Base interactions energy: -210.144 where: short stacking energy: -127.395 Base-Backbone interact. energy: 1.623 local terms energy: -204.342510 where: bonds (distance) C4'-P energy: -64.383 bonds (distance) P-C4' energy: -50.055 flat angles C4'-P-C4' energy: -55.397 flat angles P-C4'-P energy: -20.553 tors. eta vs tors. theta energy: -13.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1300.167498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.167498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.167498 (E_RNA) where: Base-Base interactions energy: -929.514 where: short stacking energy: -374.292 Base-Backbone interact. energy: -0.211 local terms energy: -370.442271 where: bonds (distance) C4'-P energy: -70.149 bonds (distance) P-C4' energy: -73.017 flat angles C4'-P-C4' energy: -77.418 flat angles P-C4'-P energy: -51.537 tors. eta vs tors. theta energy: -98.321 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: 4 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1315.887335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.887335 (E_RNA) where: Base-Base interactions energy: -924.893 where: short stacking energy: -392.219 Base-Backbone interact. energy: -0.805 local terms energy: -390.188958 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -79.018 flat angles C4'-P-C4' energy: -76.732 flat angles P-C4'-P energy: -57.746 tors. eta vs tors. theta energy: -113.410 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: 3, replica: 8 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1202.912989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.912989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.912989 (E_RNA) where: Base-Base interactions energy: -837.805 where: short stacking energy: -349.345 Base-Backbone interact. energy: -2.866 local terms energy: -362.241525 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -59.989 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -64.851 tors. eta vs tors. theta energy: -95.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1199.677544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.677544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.677544 (E_RNA) where: Base-Base interactions energy: -833.502 where: short stacking energy: -353.650 Base-Backbone interact. energy: 2.011 local terms energy: -368.186669 where: bonds (distance) C4'-P energy: -65.907 bonds (distance) P-C4' energy: -69.601 flat angles C4'-P-C4' energy: -76.996 flat angles P-C4'-P energy: -50.623 tors. eta vs tors. theta energy: -105.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1105.170419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.170419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.170419 (E_RNA) where: Base-Base interactions energy: -777.563 where: short stacking energy: -315.305 Base-Backbone interact. energy: -1.495 local terms energy: -326.112403 where: bonds (distance) C4'-P energy: -57.141 bonds (distance) P-C4' energy: -70.007 flat angles C4'-P-C4' energy: -67.516 flat angles P-C4'-P energy: -47.404 tors. eta vs tors. theta energy: -84.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1065.952109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.952109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.952109 (E_RNA) where: Base-Base interactions energy: -742.276 where: short stacking energy: -323.929 Base-Backbone interact. energy: 2.606 local terms energy: -326.282125 where: bonds (distance) C4'-P energy: -67.158 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -52.037 tors. eta vs tors. theta energy: -84.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -996.800625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.800625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.800625 (E_RNA) where: Base-Base interactions energy: -685.322 where: short stacking energy: -278.491 Base-Backbone interact. energy: -0.900 local terms energy: -310.578338 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -67.058 flat angles P-C4'-P energy: -38.627 tors. eta vs tors. theta energy: -73.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -863.390783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.390783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.390783 (E_RNA) where: Base-Base interactions energy: -581.524 where: short stacking energy: -281.660 Base-Backbone interact. energy: -0.747 local terms energy: -281.119711 where: bonds (distance) C4'-P energy: -43.029 bonds (distance) P-C4' energy: -68.414 flat angles C4'-P-C4' energy: -60.126 flat angles P-C4'-P energy: -37.117 tors. eta vs tors. theta energy: -72.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -789.144309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.144309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.144309 (E_RNA) where: Base-Base interactions energy: -506.368 where: short stacking energy: -229.845 Base-Backbone interact. energy: 0.964 local terms energy: -283.740295 where: bonds (distance) C4'-P energy: -59.971 bonds (distance) P-C4' energy: -73.264 flat angles C4'-P-C4' energy: -66.573 flat angles P-C4'-P energy: -34.002 tors. eta vs tors. theta energy: -49.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -437.142733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.142733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.142733 (E_RNA) where: Base-Base interactions energy: -261.747 where: short stacking energy: -143.364 Base-Backbone interact. energy: -1.901 local terms energy: -173.495527 where: bonds (distance) C4'-P energy: -40.934 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -42.371 flat angles P-C4'-P energy: -34.818 tors. eta vs tors. theta energy: -0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1287.120843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.120843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.120843 (E_RNA) where: Base-Base interactions energy: -907.924 where: short stacking energy: -372.397 Base-Backbone interact. energy: -0.497 local terms energy: -378.700007 where: bonds (distance) C4'-P energy: -71.658 bonds (distance) P-C4' energy: -77.012 flat angles C4'-P-C4' energy: -77.757 flat angles P-C4'-P energy: -50.774 tors. eta vs tors. theta energy: -101.499 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: 4 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1322.442371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.442371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.442371 (E_RNA) where: Base-Base interactions energy: -930.027 where: short stacking energy: -383.246 Base-Backbone interact. energy: 0.777 local terms energy: -393.192644 where: bonds (distance) C4'-P energy: -73.893 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -82.139 flat angles P-C4'-P energy: -54.834 tors. eta vs tors. theta energy: -115.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1210.580791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.580791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.580791 (E_RNA) where: Base-Base interactions energy: -865.775 where: short stacking energy: -369.556 Base-Backbone interact. energy: 3.613 local terms energy: -348.418455 where: bonds (distance) C4'-P energy: -63.473 bonds (distance) P-C4' energy: -62.603 flat angles C4'-P-C4' energy: -75.368 flat angles P-C4'-P energy: -51.286 tors. eta vs tors. theta energy: -95.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1214.456498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.456498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.456498 (E_RNA) where: Base-Base interactions energy: -856.914 where: short stacking energy: -364.956 Base-Backbone interact. energy: -0.274 local terms energy: -357.267938 where: bonds (distance) C4'-P energy: -60.331 bonds (distance) P-C4' energy: -74.556 flat angles C4'-P-C4' energy: -75.802 flat angles P-C4'-P energy: -46.622 tors. eta vs tors. theta energy: -99.956 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: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1106.841671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.841671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.841671 (E_RNA) where: Base-Base interactions energy: -784.420 where: short stacking energy: -320.310 Base-Backbone interact. energy: 1.591 local terms energy: -324.012152 where: bonds (distance) C4'-P energy: -71.220 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -69.062 flat angles P-C4'-P energy: -44.780 tors. eta vs tors. theta energy: -79.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1079.878028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.878028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.878028 (E_RNA) where: Base-Base interactions energy: -749.656 where: short stacking energy: -314.717 Base-Backbone interact. energy: -1.200 local terms energy: -329.022569 where: bonds (distance) C4'-P energy: -62.302 bonds (distance) P-C4' energy: -61.903 flat angles C4'-P-C4' energy: -69.510 flat angles P-C4'-P energy: -47.719 tors. eta vs tors. theta energy: -87.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -983.278617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.278617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.278617 (E_RNA) where: Base-Base interactions energy: -669.714 where: short stacking energy: -301.967 Base-Backbone interact. energy: -1.469 local terms energy: -312.095302 where: bonds (distance) C4'-P energy: -56.506 bonds (distance) P-C4' energy: -59.981 flat angles C4'-P-C4' energy: -69.028 flat angles P-C4'-P energy: -41.683 tors. eta vs tors. theta energy: -84.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -862.534152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.534152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.534152 (E_RNA) where: Base-Base interactions energy: -611.935 where: short stacking energy: -268.494 Base-Backbone interact. energy: 1.240 local terms energy: -251.838895 where: bonds (distance) C4'-P energy: -49.288 bonds (distance) P-C4' energy: -49.994 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -41.775 tors. eta vs tors. theta energy: -48.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -807.823955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.823955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.823955 (E_RNA) where: Base-Base interactions energy: -536.399 where: short stacking energy: -253.561 Base-Backbone interact. energy: -0.054 local terms energy: -271.371044 where: bonds (distance) C4'-P energy: -42.633 bonds (distance) P-C4' energy: -58.470 flat angles C4'-P-C4' energy: -67.969 flat angles P-C4'-P energy: -41.521 tors. eta vs tors. theta energy: -60.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -419.158964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.158964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.158964 (E_RNA) where: Base-Base interactions energy: -232.371 where: short stacking energy: -120.893 Base-Backbone interact. energy: 4.084 local terms energy: -190.872069 where: bonds (distance) C4'-P energy: -35.282 bonds (distance) P-C4' energy: -66.958 flat angles C4'-P-C4' energy: -59.529 flat angles P-C4'-P energy: -34.558 tors. eta vs tors. theta energy: 5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1350.217297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.217297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.217297 (E_RNA) where: Base-Base interactions energy: -958.451 where: short stacking energy: -390.263 Base-Backbone interact. energy: -1.388 local terms energy: -390.378559 where: bonds (distance) C4'-P energy: -70.658 bonds (distance) P-C4' energy: -62.765 flat angles C4'-P-C4' energy: -80.384 flat angles P-C4'-P energy: -62.664 tors. eta vs tors. theta energy: -113.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1291.803322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.803322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.803322 (E_RNA) where: Base-Base interactions energy: -926.792 where: short stacking energy: -374.526 Base-Backbone interact. energy: -1.056 local terms energy: -363.955017 where: bonds (distance) C4'-P energy: -68.774 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -76.357 flat angles P-C4'-P energy: -47.316 tors. eta vs tors. theta energy: -98.730 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: 402 Temperature: 1.000000 Total energy: -1231.144960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.144960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.144960 (E_RNA) where: Base-Base interactions energy: -876.175 where: short stacking energy: -378.271 Base-Backbone interact. energy: -1.071 local terms energy: -353.898961 where: bonds (distance) C4'-P energy: -66.282 bonds (distance) P-C4' energy: -56.873 flat angles C4'-P-C4' energy: -77.085 flat angles P-C4'-P energy: -48.549 tors. eta vs tors. theta energy: -105.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1173.797435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.797435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.797435 (E_RNA) where: Base-Base interactions energy: -820.173 where: short stacking energy: -313.755 Base-Backbone interact. energy: 1.843 local terms energy: -355.467537 where: bonds (distance) C4'-P energy: -67.549 bonds (distance) P-C4' energy: -65.486 flat angles C4'-P-C4' energy: -74.707 flat angles P-C4'-P energy: -58.030 tors. eta vs tors. theta energy: -89.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1139.482145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.482145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.482145 (E_RNA) where: Base-Base interactions energy: -804.352 where: short stacking energy: -357.612 Base-Backbone interact. energy: 0.045 local terms energy: -335.174888 where: bonds (distance) C4'-P energy: -60.744 bonds (distance) P-C4' energy: -62.872 flat angles C4'-P-C4' energy: -71.126 flat angles P-C4'-P energy: -37.733 tors. eta vs tors. theta energy: -102.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1063.141744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.141744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.141744 (E_RNA) where: Base-Base interactions energy: -742.648 where: short stacking energy: -306.266 Base-Backbone interact. energy: -0.767 local terms energy: -319.726894 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -64.264 flat angles C4'-P-C4' energy: -72.308 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -84.420 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: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -969.066911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.066911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.066911 (E_RNA) where: Base-Base interactions energy: -666.804 where: short stacking energy: -303.254 Base-Backbone interact. energy: -0.953 local terms energy: -301.309836 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -64.869 flat angles P-C4'-P energy: -37.194 tors. eta vs tors. theta energy: -73.960 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: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -917.108610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.108610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.108610 (E_RNA) where: Base-Base interactions energy: -627.043 where: short stacking energy: -270.434 Base-Backbone interact. energy: -1.318 local terms energy: -288.747788 where: bonds (distance) C4'-P energy: -51.584 bonds (distance) P-C4' energy: -59.877 flat angles C4'-P-C4' energy: -75.309 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -62.318 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: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -829.515542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.515542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.515542 (E_RNA) where: Base-Base interactions energy: -552.004 where: short stacking energy: -240.884 Base-Backbone interact. energy: 1.707 local terms energy: -279.218673 where: bonds (distance) C4'-P energy: -57.956 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -61.974 flat angles P-C4'-P energy: -36.127 tors. eta vs tors. theta energy: -63.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -423.419891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.419891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.419891 (E_RNA) where: Base-Base interactions energy: -245.684 where: short stacking energy: -129.704 Base-Backbone interact. energy: 0.608 local terms energy: -178.344476 where: bonds (distance) C4'-P energy: -51.436 bonds (distance) P-C4' energy: -63.178 flat angles C4'-P-C4' energy: -48.801 flat angles P-C4'-P energy: -19.649 tors. eta vs tors. theta energy: 4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1333.102754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.102754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.102754 (E_RNA) where: Base-Base interactions energy: -957.149 where: short stacking energy: -397.867 Base-Backbone interact. energy: -1.372 local terms energy: -374.581761 where: bonds (distance) C4'-P energy: -66.855 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -77.500 flat angles P-C4'-P energy: -49.292 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: 2, replica: 7 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1262.121203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.121203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.121203 (E_RNA) where: Base-Base interactions energy: -906.544 where: short stacking energy: -365.996 Base-Backbone interact. energy: -1.944 local terms energy: -353.633768 where: bonds (distance) C4'-P energy: -62.723 bonds (distance) P-C4' energy: -65.585 flat angles C4'-P-C4' energy: -79.073 flat angles P-C4'-P energy: -44.696 tors. eta vs tors. theta energy: -101.557 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1235.739084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.739084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.739084 (E_RNA) where: Base-Base interactions energy: -874.852 where: short stacking energy: -374.599 Base-Backbone interact. energy: 0.229 local terms energy: -361.115859 where: bonds (distance) C4'-P energy: -68.391 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -77.398 flat angles P-C4'-P energy: -56.004 tors. eta vs tors. theta energy: -99.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1158.529541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.529541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.529541 (E_RNA) where: Base-Base interactions energy: -828.633 where: short stacking energy: -330.165 Base-Backbone interact. energy: 0.404 local terms energy: -330.300380 where: bonds (distance) C4'-P energy: -69.228 bonds (distance) P-C4' energy: -63.559 flat angles C4'-P-C4' energy: -69.597 flat angles P-C4'-P energy: -36.751 tors. eta vs tors. theta energy: -91.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1136.880448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.880448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.880448 (E_RNA) where: Base-Base interactions energy: -798.765 where: short stacking energy: -343.301 Base-Backbone interact. energy: -1.448 local terms energy: -336.667468 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -68.384 flat angles C4'-P-C4' energy: -71.704 flat angles P-C4'-P energy: -53.822 tors. eta vs tors. theta energy: -89.220 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: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1032.908316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.908316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.908316 (E_RNA) where: Base-Base interactions energy: -705.299 where: short stacking energy: -290.437 Base-Backbone interact. energy: -1.988 local terms energy: -325.620987 where: bonds (distance) C4'-P energy: -61.395 bonds (distance) P-C4' energy: -66.970 flat angles C4'-P-C4' energy: -72.215 flat angles P-C4'-P energy: -48.155 tors. eta vs tors. theta energy: -76.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -966.327596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.327596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.327596 (E_RNA) where: Base-Base interactions energy: -668.017 where: short stacking energy: -277.931 Base-Backbone interact. energy: 2.551 local terms energy: -300.861955 where: bonds (distance) C4'-P energy: -56.820 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -58.959 flat angles P-C4'-P energy: -42.514 tors. eta vs tors. theta energy: -69.785 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: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -888.571711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.571711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.571711 (E_RNA) where: Base-Base interactions energy: -608.279 where: short stacking energy: -285.193 Base-Backbone interact. energy: 2.721 local terms energy: -283.013492 where: bonds (distance) C4'-P energy: -51.554 bonds (distance) P-C4' energy: -68.732 flat angles C4'-P-C4' energy: -57.933 flat angles P-C4'-P energy: -42.908 tors. eta vs tors. theta energy: -61.887 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: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -832.948353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.948353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.948353 (E_RNA) where: Base-Base interactions energy: -584.542 where: short stacking energy: -254.698 Base-Backbone interact. energy: 0.499 local terms energy: -248.905302 where: bonds (distance) C4'-P energy: -48.105 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -53.485 flat angles P-C4'-P energy: -30.229 tors. eta vs tors. theta energy: -54.386 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: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -431.887172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.887172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.887172 (E_RNA) where: Base-Base interactions energy: -234.034 where: short stacking energy: -140.771 Base-Backbone interact. energy: -0.210 local terms energy: -197.643321 where: bonds (distance) C4'-P energy: -54.582 bonds (distance) P-C4' energy: -55.667 flat angles C4'-P-C4' energy: -60.497 flat angles P-C4'-P energy: -25.061 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1337.059805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.059805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.059805 (E_RNA) where: Base-Base interactions energy: -946.678 where: short stacking energy: -392.306 Base-Backbone interact. energy: -1.594 local terms energy: -388.787063 where: bonds (distance) C4'-P energy: -72.763 bonds (distance) P-C4' energy: -58.426 flat angles C4'-P-C4' energy: -80.369 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -120.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1261.448102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.448102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.448102 (E_RNA) where: Base-Base interactions energy: -897.792 where: short stacking energy: -367.596 Base-Backbone interact. energy: -1.387 local terms energy: -362.268800 where: bonds (distance) C4'-P energy: -70.271 bonds (distance) P-C4' energy: -67.662 flat angles C4'-P-C4' energy: -73.878 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -101.189 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: 9 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1222.598684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.598684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.598684 (E_RNA) where: Base-Base interactions energy: -858.838 where: short stacking energy: -366.266 Base-Backbone interact. energy: -0.792 local terms energy: -362.968500 where: bonds (distance) C4'-P energy: -66.736 bonds (distance) P-C4' energy: -73.508 flat angles C4'-P-C4' energy: -74.891 flat angles P-C4'-P energy: -48.991 tors. eta vs tors. theta energy: -98.843 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: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1188.601325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.601325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.601325 (E_RNA) where: Base-Base interactions energy: -821.755 where: short stacking energy: -329.102 Base-Backbone interact. energy: 1.476 local terms energy: -368.321668 where: bonds (distance) C4'-P energy: -61.131 bonds (distance) P-C4' energy: -68.532 flat angles C4'-P-C4' energy: -79.628 flat angles P-C4'-P energy: -59.976 tors. eta vs tors. theta energy: -99.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1115.208624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.208624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.208624 (E_RNA) where: Base-Base interactions energy: -794.021 where: short stacking energy: -339.638 Base-Backbone interact. energy: -1.479 local terms energy: -319.708759 where: bonds (distance) C4'-P energy: -52.326 bonds (distance) P-C4' energy: -65.840 flat angles C4'-P-C4' energy: -70.038 flat angles P-C4'-P energy: -48.250 tors. eta vs tors. theta energy: -83.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1068.661250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.661250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.661250 (E_RNA) where: Base-Base interactions energy: -753.393 where: short stacking energy: -285.211 Base-Backbone interact. energy: 0.786 local terms energy: -316.054768 where: bonds (distance) C4'-P energy: -51.873 bonds (distance) P-C4' energy: -65.386 flat angles C4'-P-C4' energy: -67.736 flat angles P-C4'-P energy: -50.275 tors. eta vs tors. theta energy: -80.785 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: 404 Temperature: 1.200000 Total energy: -853.035233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.035233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.035233 (E_RNA) where: Base-Base interactions energy: -553.916 where: short stacking energy: -268.193 Base-Backbone interact. energy: 0.810 local terms energy: -299.928487 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -69.363 flat angles P-C4'-P energy: -46.182 tors. eta vs tors. theta energy: -61.712 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -941.443329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.443329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.443329 (E_RNA) where: Base-Base interactions energy: -658.434 where: short stacking energy: -286.068 Base-Backbone interact. energy: 4.930 local terms energy: -287.938775 where: bonds (distance) C4'-P energy: -53.865 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -59.666 flat angles P-C4'-P energy: -46.214 tors. eta vs tors. theta energy: -72.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -857.747022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.747022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.747022 (E_RNA) where: Base-Base interactions energy: -605.420 where: short stacking energy: -261.181 Base-Backbone interact. energy: -1.895 local terms energy: -250.432089 where: bonds (distance) C4'-P energy: -42.424 bonds (distance) P-C4' energy: -54.903 flat angles C4'-P-C4' energy: -57.443 flat angles P-C4'-P energy: -32.825 tors. eta vs tors. theta energy: -62.837 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: 2 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -419.234121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.234121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.234121 (E_RNA) where: Base-Base interactions energy: -211.005 where: short stacking energy: -148.147 Base-Backbone interact. energy: -1.111 local terms energy: -207.117823 where: bonds (distance) C4'-P energy: -48.402 bonds (distance) P-C4' energy: -57.681 flat angles C4'-P-C4' energy: -61.545 flat angles P-C4'-P energy: -31.167 tors. eta vs tors. theta energy: -8.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1334.899000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.899000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.899000 (E_RNA) where: Base-Base interactions energy: -941.751 where: short stacking energy: -396.756 Base-Backbone interact. energy: -0.995 local terms energy: -392.152813 where: bonds (distance) C4'-P energy: -69.139 bonds (distance) P-C4' energy: -66.655 flat angles C4'-P-C4' energy: -84.879 flat angles P-C4'-P energy: -56.950 tors. eta vs tors. theta energy: -114.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1232.865505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.865505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.865505 (E_RNA) where: Base-Base interactions energy: -867.884 where: short stacking energy: -371.958 Base-Backbone interact. energy: -0.155 local terms energy: -364.826515 where: bonds (distance) C4'-P energy: -62.460 bonds (distance) P-C4' energy: -77.388 flat angles C4'-P-C4' energy: -74.152 flat angles P-C4'-P energy: -45.646 tors. eta vs tors. theta energy: -105.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1234.818915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.818915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.818915 (E_RNA) where: Base-Base interactions energy: -883.100 where: short stacking energy: -355.275 Base-Backbone interact. energy: -1.653 local terms energy: -350.066560 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -73.463 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -47.986 tors. eta vs tors. theta energy: -92.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1178.721566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.721566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.721566 (E_RNA) where: Base-Base interactions energy: -838.085 where: short stacking energy: -360.145 Base-Backbone interact. energy: 0.694 local terms energy: -341.330611 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -68.807 flat angles C4'-P-C4' energy: -78.159 flat angles P-C4'-P energy: -41.940 tors. eta vs tors. theta energy: -94.853 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: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1140.934211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.934211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.934211 (E_RNA) where: Base-Base interactions energy: -777.862 where: short stacking energy: -344.384 Base-Backbone interact. energy: -2.309 local terms energy: -360.763234 where: bonds (distance) C4'-P energy: -64.841 bonds (distance) P-C4' energy: -74.014 flat angles C4'-P-C4' energy: -82.476 flat angles P-C4'-P energy: -48.454 tors. eta vs tors. theta energy: -90.978 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: 405 Temperature: 1.150000 Total energy: -1060.325767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.325767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.325767 (E_RNA) where: Base-Base interactions energy: -745.852 where: short stacking energy: -299.681 Base-Backbone interact. energy: 0.041 local terms energy: -314.514896 where: bonds (distance) C4'-P energy: -60.915 bonds (distance) P-C4' energy: -63.207 flat angles C4'-P-C4' energy: -72.845 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -76.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -869.103257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.103257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.103257 (E_RNA) where: Base-Base interactions energy: -574.439 where: short stacking energy: -267.787 Base-Backbone interact. energy: -0.575 local terms energy: -294.089247 where: bonds (distance) C4'-P energy: -52.948 bonds (distance) P-C4' energy: -64.106 flat angles C4'-P-C4' energy: -64.398 flat angles P-C4'-P energy: -47.294 tors. eta vs tors. theta energy: -65.343 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: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -918.845182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.845182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.845182 (E_RNA) where: Base-Base interactions energy: -633.468 where: short stacking energy: -263.526 Base-Backbone interact. energy: -0.757 local terms energy: -284.620155 where: bonds (distance) C4'-P energy: -61.249 bonds (distance) P-C4' energy: -55.556 flat angles C4'-P-C4' energy: -57.996 flat angles P-C4'-P energy: -41.754 tors. eta vs tors. theta energy: -68.065 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: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -872.799242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.799242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.799242 (E_RNA) where: Base-Base interactions energy: -589.504 where: short stacking energy: -251.975 Base-Backbone interact. energy: 4.587 local terms energy: -287.881667 where: bonds (distance) C4'-P energy: -71.264 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -67.582 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -51.715 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: 2 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -400.279077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.279077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.279077 (E_RNA) where: Base-Base interactions energy: -180.634 where: short stacking energy: -115.975 Base-Backbone interact. energy: -0.086 local terms energy: -219.558816 where: bonds (distance) C4'-P energy: -50.685 bonds (distance) P-C4' energy: -71.896 flat angles C4'-P-C4' energy: -51.849 flat angles P-C4'-P energy: -29.517 tors. eta vs tors. theta energy: -15.613 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: 406 Temperature: 0.900000 Total energy: -1342.500280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.500280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.500280 (E_RNA) where: Base-Base interactions energy: -950.247 where: short stacking energy: -411.257 Base-Backbone interact. energy: -1.400 local terms energy: -390.853708 where: bonds (distance) C4'-P energy: -70.768 bonds (distance) P-C4' energy: -70.699 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -53.730 tors. eta vs tors. theta energy: -118.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1232.114536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.114536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.114536 (E_RNA) where: Base-Base interactions energy: -865.273 where: short stacking energy: -370.383 Base-Backbone interact. energy: -1.318 local terms energy: -365.523199 where: bonds (distance) C4'-P energy: -66.609 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -74.546 flat angles P-C4'-P energy: -59.337 tors. eta vs tors. theta energy: -102.147 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: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1253.335015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.335015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.335015 (E_RNA) where: Base-Base interactions energy: -896.597 where: short stacking energy: -366.177 Base-Backbone interact. energy: -1.718 local terms energy: -355.019560 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -69.753 flat angles C4'-P-C4' energy: -74.655 flat angles P-C4'-P energy: -43.018 tors. eta vs tors. theta energy: -95.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1158.081083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.081083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.081083 (E_RNA) where: Base-Base interactions energy: -817.178 where: short stacking energy: -358.472 Base-Backbone interact. energy: -0.841 local terms energy: -340.061390 where: bonds (distance) C4'-P energy: -61.030 bonds (distance) P-C4' energy: -64.721 flat angles C4'-P-C4' energy: -67.662 flat angles P-C4'-P energy: -52.531 tors. eta vs tors. theta energy: -94.117 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: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1145.486859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.486859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.486859 (E_RNA) where: Base-Base interactions energy: -808.521 where: short stacking energy: -358.444 Base-Backbone interact. energy: -0.902 local terms energy: -336.063758 where: bonds (distance) C4'-P energy: -60.059 bonds (distance) P-C4' energy: -64.250 flat angles C4'-P-C4' energy: -72.398 flat angles P-C4'-P energy: -49.687 tors. eta vs tors. theta energy: -89.671 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1041.383941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.383941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.383941 (E_RNA) where: Base-Base interactions energy: -748.395 where: short stacking energy: -302.272 Base-Backbone interact. energy: 0.881 local terms energy: -293.869835 where: bonds (distance) C4'-P energy: -56.083 bonds (distance) P-C4' energy: -63.349 flat angles C4'-P-C4' energy: -66.532 flat angles P-C4'-P energy: -42.059 tors. eta vs tors. theta energy: -65.846 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: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -919.014824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.014824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.014824 (E_RNA) where: Base-Base interactions energy: -617.786 where: short stacking energy: -282.578 Base-Backbone interact. energy: 0.097 local terms energy: -301.326016 where: bonds (distance) C4'-P energy: -51.625 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -57.970 flat angles P-C4'-P energy: -49.360 tors. eta vs tors. theta energy: -75.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -883.360120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.360120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.360120 (E_RNA) where: Base-Base interactions energy: -602.291 where: short stacking energy: -266.250 Base-Backbone interact. energy: 1.121 local terms energy: -282.190142 where: bonds (distance) C4'-P energy: -54.664 bonds (distance) P-C4' energy: -54.728 flat angles C4'-P-C4' energy: -65.093 flat angles P-C4'-P energy: -49.743 tors. eta vs tors. theta energy: -57.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -857.362271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.362271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.362271 (E_RNA) where: Base-Base interactions energy: -597.055 where: short stacking energy: -248.370 Base-Backbone interact. energy: 4.745 local terms energy: -265.052783 where: bonds (distance) C4'-P energy: -65.137 bonds (distance) P-C4' energy: -44.690 flat angles C4'-P-C4' energy: -63.606 flat angles P-C4'-P energy: -36.735 tors. eta vs tors. theta energy: -54.884 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: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -424.880915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.880915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.880915 (E_RNA) where: Base-Base interactions energy: -200.330 where: short stacking energy: -128.012 Base-Backbone interact. energy: 0.451 local terms energy: -225.001847 where: bonds (distance) C4'-P energy: -69.058 bonds (distance) P-C4' energy: -63.392 flat angles C4'-P-C4' energy: -57.194 flat angles P-C4'-P energy: -23.701 tors. eta vs tors. theta energy: -11.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1334.309954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.309954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.309954 (E_RNA) where: Base-Base interactions energy: -934.137 where: short stacking energy: -381.106 Base-Backbone interact. energy: -1.502 local terms energy: -398.671174 where: bonds (distance) C4'-P energy: -65.912 bonds (distance) P-C4' energy: -74.259 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -55.884 tors. eta vs tors. theta energy: -114.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1265.415457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.415457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.415457 (E_RNA) where: Base-Base interactions energy: -907.330 where: short stacking energy: -376.443 Base-Backbone interact. energy: -1.257 local terms energy: -356.828511 where: bonds (distance) C4'-P energy: -64.221 bonds (distance) P-C4' energy: -72.840 flat angles C4'-P-C4' energy: -73.844 flat angles P-C4'-P energy: -50.033 tors. eta vs tors. theta energy: -95.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1219.443710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.443710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.443710 (E_RNA) where: Base-Base interactions energy: -844.324 where: short stacking energy: -366.958 Base-Backbone interact. energy: -1.380 local terms energy: -373.738965 where: bonds (distance) C4'-P energy: -80.324 bonds (distance) P-C4' energy: -59.931 flat angles C4'-P-C4' energy: -72.353 flat angles P-C4'-P energy: -59.045 tors. eta vs tors. theta energy: -102.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1181.170377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.170377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.170377 (E_RNA) where: Base-Base interactions energy: -824.908 where: short stacking energy: -380.867 Base-Backbone interact. energy: -1.747 local terms energy: -354.515965 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -53.343 tors. eta vs tors. theta energy: -108.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1107.686771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.686771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.686771 (E_RNA) where: Base-Base interactions energy: -797.806 where: short stacking energy: -342.580 Base-Backbone interact. energy: -1.938 local terms energy: -307.943406 where: bonds (distance) C4'-P energy: -49.516 bonds (distance) P-C4' energy: -47.752 flat angles C4'-P-C4' energy: -77.947 flat angles P-C4'-P energy: -41.676 tors. eta vs tors. theta energy: -91.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1058.259636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.259636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.259636 (E_RNA) where: Base-Base interactions energy: -760.854 where: short stacking energy: -294.628 Base-Backbone interact. energy: -0.829 local terms energy: -296.576545 where: bonds (distance) C4'-P energy: -63.496 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -64.415 flat angles P-C4'-P energy: -33.393 tors. eta vs tors. theta energy: -73.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -874.208771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.208771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.208771 (E_RNA) where: Base-Base interactions energy: -587.911 where: short stacking energy: -266.835 Base-Backbone interact. energy: -1.579 local terms energy: -284.718162 where: bonds (distance) C4'-P energy: -52.493 bonds (distance) P-C4' energy: -64.871 flat angles C4'-P-C4' energy: -65.037 flat angles P-C4'-P energy: -34.832 tors. eta vs tors. theta energy: -67.485 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: 8, replica: 6 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -916.433800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.433800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.433800 (E_RNA) where: Base-Base interactions energy: -629.360 where: short stacking energy: -286.945 Base-Backbone interact. energy: -0.605 local terms energy: -286.469186 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -52.780 flat angles C4'-P-C4' energy: -64.864 flat angles P-C4'-P energy: -46.005 tors. eta vs tors. theta energy: -67.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -904.996848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.996848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.996848 (E_RNA) where: Base-Base interactions energy: -621.866 where: short stacking energy: -255.752 Base-Backbone interact. energy: -0.920 local terms energy: -282.209992 where: bonds (distance) C4'-P energy: -67.385 bonds (distance) P-C4' energy: -62.180 flat angles C4'-P-C4' energy: -58.369 flat angles P-C4'-P energy: -38.631 tors. eta vs tors. theta energy: -55.646 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: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -419.726988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.726988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.726988 (E_RNA) where: Base-Base interactions energy: -219.085 where: short stacking energy: -138.584 Base-Backbone interact. energy: 0.816 local terms energy: -201.458030 where: bonds (distance) C4'-P energy: -42.518 bonds (distance) P-C4' energy: -69.166 flat angles C4'-P-C4' energy: -60.649 flat angles P-C4'-P energy: -26.962 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1346.554446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.554446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.554446 (E_RNA) where: Base-Base interactions energy: -963.937 where: short stacking energy: -393.797 Base-Backbone interact. energy: -0.598 local terms energy: -382.019646 where: bonds (distance) C4'-P energy: -63.128 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -82.157 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: -116.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1262.330396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.330396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.330396 (E_RNA) where: Base-Base interactions energy: -904.942 where: short stacking energy: -353.021 Base-Backbone interact. energy: 0.308 local terms energy: -357.695990 where: bonds (distance) C4'-P energy: -67.684 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -80.024 flat angles P-C4'-P energy: -46.241 tors. eta vs tors. theta energy: -97.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1242.297087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.297087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.297087 (E_RNA) where: Base-Base interactions energy: -861.674 where: short stacking energy: -365.217 Base-Backbone interact. energy: -1.219 local terms energy: -379.403399 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -71.068 flat angles C4'-P-C4' energy: -83.962 flat angles P-C4'-P energy: -56.157 tors. eta vs tors. theta energy: -105.554 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: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1149.844317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.844317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.844317 (E_RNA) where: Base-Base interactions energy: -810.135 where: short stacking energy: -353.777 Base-Backbone interact. energy: -1.041 local terms energy: -338.668240 where: bonds (distance) C4'-P energy: -56.710 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -78.983 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -92.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1089.990186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.990186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.990186 (E_RNA) where: Base-Base interactions energy: -753.777 where: short stacking energy: -299.680 Base-Backbone interact. energy: 1.043 local terms energy: -337.255760 where: bonds (distance) C4'-P energy: -65.704 bonds (distance) P-C4' energy: -67.639 flat angles C4'-P-C4' energy: -70.460 flat angles P-C4'-P energy: -46.807 tors. eta vs tors. theta energy: -86.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1039.503065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.503065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.503065 (E_RNA) where: Base-Base interactions energy: -734.947 where: short stacking energy: -290.597 Base-Backbone interact. energy: -0.491 local terms energy: -304.064462 where: bonds (distance) C4'-P energy: -52.452 bonds (distance) P-C4' energy: -68.832 flat angles C4'-P-C4' energy: -70.019 flat angles P-C4'-P energy: -40.909 tors. eta vs tors. theta energy: -71.852 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: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -905.819682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.819682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.819682 (E_RNA) where: Base-Base interactions energy: -641.668 where: short stacking energy: -261.290 Base-Backbone interact. energy: 3.931 local terms energy: -268.082573 where: bonds (distance) C4'-P energy: -55.038 bonds (distance) P-C4' energy: -57.931 flat angles C4'-P-C4' energy: -71.187 flat angles P-C4'-P energy: -28.617 tors. eta vs tors. theta energy: -55.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -874.975811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.975811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.975811 (E_RNA) where: Base-Base interactions energy: -595.743 where: short stacking energy: -265.896 Base-Backbone interact. energy: 0.330 local terms energy: -279.563084 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -52.822 flat angles C4'-P-C4' energy: -50.763 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -72.597 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: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -887.717472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.717472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.717472 (E_RNA) where: Base-Base interactions energy: -617.348 where: short stacking energy: -264.124 Base-Backbone interact. energy: 1.130 local terms energy: -271.499422 where: bonds (distance) C4'-P energy: -64.226 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -60.322 flat angles P-C4'-P energy: -23.189 tors. eta vs tors. theta energy: -59.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -400.762830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.762830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.762830 (E_RNA) where: Base-Base interactions energy: -221.800 where: short stacking energy: -135.060 Base-Backbone interact. energy: 0.763 local terms energy: -179.725636 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -57.125 flat angles C4'-P-C4' energy: -47.589 flat angles P-C4'-P energy: -15.144 tors. eta vs tors. theta energy: -3.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1353.227013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.227013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.227013 (E_RNA) where: Base-Base interactions energy: -953.014 where: short stacking energy: -404.186 Base-Backbone interact. energy: -1.835 local terms energy: -398.377319 where: bonds (distance) C4'-P energy: -62.676 bonds (distance) P-C4' energy: -79.034 flat angles C4'-P-C4' energy: -87.081 flat angles P-C4'-P energy: -57.286 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: 2, replica: 7 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1271.184118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.184118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.184118 (E_RNA) where: Base-Base interactions energy: -922.452 where: short stacking energy: -365.662 Base-Backbone interact. energy: -0.662 local terms energy: -348.069692 where: bonds (distance) C4'-P energy: -59.446 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -50.108 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: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1238.201346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.201346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.201346 (E_RNA) where: Base-Base interactions energy: -879.191 where: short stacking energy: -377.678 Base-Backbone interact. energy: 0.161 local terms energy: -359.170684 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -74.900 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -55.466 tors. eta vs tors. theta energy: -102.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1116.193916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.193916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.193916 (E_RNA) where: Base-Base interactions energy: -760.236 where: short stacking energy: -330.346 Base-Backbone interact. energy: -0.791 local terms energy: -355.166799 where: bonds (distance) C4'-P energy: -60.911 bonds (distance) P-C4' energy: -67.678 flat angles C4'-P-C4' energy: -78.469 flat angles P-C4'-P energy: -58.095 tors. eta vs tors. theta energy: -90.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1122.656125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.656125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.656125 (E_RNA) where: Base-Base interactions energy: -790.927 where: short stacking energy: -328.196 Base-Backbone interact. energy: -2.998 local terms energy: -328.730783 where: bonds (distance) C4'-P energy: -64.968 bonds (distance) P-C4' energy: -66.086 flat angles C4'-P-C4' energy: -76.073 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: -81.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1050.656446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.656446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.656446 (E_RNA) where: Base-Base interactions energy: -732.213 where: short stacking energy: -315.414 Base-Backbone interact. energy: 0.294 local terms energy: -318.737050 where: bonds (distance) C4'-P energy: -64.979 bonds (distance) P-C4' energy: -68.118 flat angles C4'-P-C4' energy: -69.593 flat angles P-C4'-P energy: -39.106 tors. eta vs tors. theta energy: -76.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -924.670766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.670766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.670766 (E_RNA) where: Base-Base interactions energy: -637.346 where: short stacking energy: -274.447 Base-Backbone interact. energy: -0.929 local terms energy: -286.395699 where: bonds (distance) C4'-P energy: -49.065 bonds (distance) P-C4' energy: -64.305 flat angles C4'-P-C4' energy: -76.932 flat angles P-C4'-P energy: -34.395 tors. eta vs tors. theta energy: -61.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -881.703539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.703539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.703539 (E_RNA) where: Base-Base interactions energy: -593.901 where: short stacking energy: -273.842 Base-Backbone interact. energy: 1.827 local terms energy: -289.628850 where: bonds (distance) C4'-P energy: -51.980 bonds (distance) P-C4' energy: -67.100 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -58.539 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: 409 Temperature: 1.300000 Total energy: -850.354196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.354196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.354196 (E_RNA) where: Base-Base interactions energy: -582.284 where: short stacking energy: -263.316 Base-Backbone interact. energy: -0.058 local terms energy: -268.012515 where: bonds (distance) C4'-P energy: -55.429 bonds (distance) P-C4' energy: -56.590 flat angles C4'-P-C4' energy: -49.930 flat angles P-C4'-P energy: -38.359 tors. eta vs tors. theta energy: -67.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -448.600865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.600865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.600865 (E_RNA) where: Base-Base interactions energy: -261.305 where: short stacking energy: -139.650 Base-Backbone interact. energy: 2.701 local terms energy: -189.996541 where: bonds (distance) C4'-P energy: -48.590 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -46.762 flat angles P-C4'-P energy: -35.271 tors. eta vs tors. theta energy: -1.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1337.612224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.612224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.612224 (E_RNA) where: Base-Base interactions energy: -952.619 where: short stacking energy: -395.149 Base-Backbone interact. energy: -0.704 local terms energy: -384.289714 where: bonds (distance) C4'-P energy: -74.837 bonds (distance) P-C4' energy: -68.279 flat angles C4'-P-C4' energy: -74.068 flat angles P-C4'-P energy: -54.264 tors. eta vs tors. theta energy: -112.841 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: 7 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1268.149773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.149773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.149773 (E_RNA) where: Base-Base interactions energy: -891.201 where: short stacking energy: -361.708 Base-Backbone interact. energy: -0.176 local terms energy: -376.773075 where: bonds (distance) C4'-P energy: -70.440 bonds (distance) P-C4' energy: -76.702 flat angles C4'-P-C4' energy: -77.303 flat angles P-C4'-P energy: -56.297 tors. eta vs tors. theta energy: -96.031 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: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1252.370265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.370265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.370265 (E_RNA) where: Base-Base interactions energy: -866.090 where: short stacking energy: -384.698 Base-Backbone interact. energy: -1.016 local terms energy: -385.264181 where: bonds (distance) C4'-P energy: -73.982 bonds (distance) P-C4' energy: -65.953 flat angles C4'-P-C4' energy: -78.253 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -109.234 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: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1139.251551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.251551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.251551 (E_RNA) where: Base-Base interactions energy: -782.912 where: short stacking energy: -348.686 Base-Backbone interact. energy: 4.334 local terms energy: -360.674535 where: bonds (distance) C4'-P energy: -62.838 bonds (distance) P-C4' energy: -71.352 flat angles C4'-P-C4' energy: -69.161 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -108.426 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: 5, replica: 8 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1107.097083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.097083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.097083 (E_RNA) where: Base-Base interactions energy: -793.706 where: short stacking energy: -327.110 Base-Backbone interact. energy: -1.244 local terms energy: -312.147341 where: bonds (distance) C4'-P energy: -60.915 bonds (distance) P-C4' energy: -62.574 flat angles C4'-P-C4' energy: -57.503 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -84.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1042.785284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.785284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.785284 (E_RNA) where: Base-Base interactions energy: -732.738 where: short stacking energy: -302.568 Base-Backbone interact. energy: -1.715 local terms energy: -308.332889 where: bonds (distance) C4'-P energy: -55.098 bonds (distance) P-C4' energy: -49.776 flat angles C4'-P-C4' energy: -75.754 flat angles P-C4'-P energy: -48.196 tors. eta vs tors. theta energy: -79.509 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: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -947.340694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.340694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.340694 (E_RNA) where: Base-Base interactions energy: -651.287 where: short stacking energy: -281.708 Base-Backbone interact. energy: -1.191 local terms energy: -294.863162 where: bonds (distance) C4'-P energy: -52.933 bonds (distance) P-C4' energy: -62.780 flat angles C4'-P-C4' energy: -65.022 flat angles P-C4'-P energy: -50.214 tors. eta vs tors. theta energy: -63.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -888.324267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.324267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.324267 (E_RNA) where: Base-Base interactions energy: -611.775 where: short stacking energy: -255.895 Base-Backbone interact. energy: -1.700 local terms energy: -274.849524 where: bonds (distance) C4'-P energy: -55.390 bonds (distance) P-C4' energy: -63.309 flat angles C4'-P-C4' energy: -54.408 flat angles P-C4'-P energy: -41.266 tors. eta vs tors. theta energy: -60.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -782.448804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.448804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.448804 (E_RNA) where: Base-Base interactions energy: -516.782 where: short stacking energy: -226.434 Base-Backbone interact. energy: -0.194 local terms energy: -265.473220 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -50.727 flat angles C4'-P-C4' energy: -64.274 flat angles P-C4'-P energy: -29.141 tors. eta vs tors. theta energy: -57.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -438.680111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.680111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.680111 (E_RNA) where: Base-Base interactions energy: -236.456 where: short stacking energy: -128.991 Base-Backbone interact. energy: 0.201 local terms energy: -202.425986 where: bonds (distance) C4'-P energy: -52.810 bonds (distance) P-C4' energy: -51.110 flat angles C4'-P-C4' energy: -46.797 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1343.775612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.775612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.775612 (E_RNA) where: Base-Base interactions energy: -954.604 where: short stacking energy: -389.233 Base-Backbone interact. energy: -2.477 local terms energy: -386.693947 where: bonds (distance) C4'-P energy: -70.349 bonds (distance) P-C4' energy: -76.538 flat angles C4'-P-C4' energy: -78.593 flat angles P-C4'-P energy: -50.885 tors. eta vs tors. theta energy: -110.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1250.711209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.711209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.711209 (E_RNA) where: Base-Base interactions energy: -882.816 where: short stacking energy: -361.057 Base-Backbone interact. energy: -1.460 local terms energy: -366.434742 where: bonds (distance) C4'-P energy: -60.968 bonds (distance) P-C4' energy: -77.129 flat angles C4'-P-C4' energy: -77.607 flat angles P-C4'-P energy: -56.007 tors. eta vs tors. theta energy: -94.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1244.090762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.090762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.090762 (E_RNA) where: Base-Base interactions energy: -870.133 where: short stacking energy: -382.136 Base-Backbone interact. energy: -1.366 local terms energy: -372.591249 where: bonds (distance) C4'-P energy: -66.725 bonds (distance) P-C4' energy: -72.574 flat angles C4'-P-C4' energy: -76.378 flat angles P-C4'-P energy: -48.192 tors. eta vs tors. theta energy: -108.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1157.103200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.103200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.103200 (E_RNA) where: Base-Base interactions energy: -779.715 where: short stacking energy: -359.438 Base-Backbone interact. energy: -1.888 local terms energy: -375.499659 where: bonds (distance) C4'-P energy: -73.326 bonds (distance) P-C4' energy: -76.613 flat angles C4'-P-C4' energy: -77.992 flat angles P-C4'-P energy: -47.721 tors. eta vs tors. theta energy: -99.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1083.964611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.964611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.964611 (E_RNA) where: Base-Base interactions energy: -766.580 where: short stacking energy: -332.663 Base-Backbone interact. energy: -1.797 local terms energy: -315.587695 where: bonds (distance) C4'-P energy: -52.683 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -75.459 flat angles P-C4'-P energy: -43.986 tors. eta vs tors. theta energy: -83.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1058.069590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.069590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.069590 (E_RNA) where: Base-Base interactions energy: -734.515 where: short stacking energy: -297.923 Base-Backbone interact. energy: -0.242 local terms energy: -323.312146 where: bonds (distance) C4'-P energy: -60.899 bonds (distance) P-C4' energy: -76.998 flat angles C4'-P-C4' energy: -69.580 flat angles P-C4'-P energy: -38.130 tors. eta vs tors. theta energy: -77.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -901.623001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.623001 (E_RNA) where: Base-Base interactions energy: -600.311 where: short stacking energy: -265.654 Base-Backbone interact. energy: -1.293 local terms energy: -300.019164 where: bonds (distance) C4'-P energy: -56.236 bonds (distance) P-C4' energy: -64.701 flat angles C4'-P-C4' energy: -65.948 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -62.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -867.641917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.641917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.641917 (E_RNA) where: Base-Base interactions energy: -585.067 where: short stacking energy: -263.736 Base-Backbone interact. energy: -0.474 local terms energy: -282.100872 where: bonds (distance) C4'-P energy: -66.559 bonds (distance) P-C4' energy: -53.005 flat angles C4'-P-C4' energy: -62.516 flat angles P-C4'-P energy: -38.921 tors. eta vs tors. theta energy: -61.099 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: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -748.711448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.711448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.711448 (E_RNA) where: Base-Base interactions energy: -482.441 where: short stacking energy: -211.714 Base-Backbone interact. energy: 2.098 local terms energy: -268.367852 where: bonds (distance) C4'-P energy: -58.427 bonds (distance) P-C4' energy: -64.008 flat angles C4'-P-C4' energy: -71.976 flat angles P-C4'-P energy: -31.877 tors. eta vs tors. theta energy: -42.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -464.789817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.789817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.789817 (E_RNA) where: Base-Base interactions energy: -259.265 where: short stacking energy: -136.014 Base-Backbone interact. energy: -1.030 local terms energy: -204.494935 where: bonds (distance) C4'-P energy: -45.662 bonds (distance) P-C4' energy: -56.852 flat angles C4'-P-C4' energy: -56.271 flat angles P-C4'-P energy: -38.299 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1349.816947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.816947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.816947 (E_RNA) where: Base-Base interactions energy: -962.246 where: short stacking energy: -402.909 Base-Backbone interact. energy: -0.266 local terms energy: -387.305090 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -66.053 flat angles C4'-P-C4' energy: -79.188 flat angles P-C4'-P energy: -53.395 tors. eta vs tors. theta energy: -113.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1266.517592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.517592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.517592 (E_RNA) where: Base-Base interactions energy: -927.808 where: short stacking energy: -362.793 Base-Backbone interact. energy: -0.383 local terms energy: -338.326506 where: bonds (distance) C4'-P energy: -67.713 bonds (distance) P-C4' energy: -64.478 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -40.177 tors. eta vs tors. theta energy: -98.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1247.902980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.902980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.902980 (E_RNA) where: Base-Base interactions energy: -892.687 where: short stacking energy: -376.810 Base-Backbone interact. energy: -1.600 local terms energy: -353.615110 where: bonds (distance) C4'-P energy: -60.994 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -86.564 flat angles P-C4'-P energy: -44.503 tors. eta vs tors. theta energy: -97.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1167.086519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.086519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.086519 (E_RNA) where: Base-Base interactions energy: -786.399 where: short stacking energy: -353.631 Base-Backbone interact. energy: -1.442 local terms energy: -379.246310 where: bonds (distance) C4'-P energy: -70.393 bonds (distance) P-C4' energy: -72.614 flat angles C4'-P-C4' energy: -79.276 flat angles P-C4'-P energy: -49.274 tors. eta vs tors. theta energy: -107.689 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1079.713148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.713148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.713148 (E_RNA) where: Base-Base interactions energy: -773.549 where: short stacking energy: -323.944 Base-Backbone interact. energy: 0.795 local terms energy: -306.959335 where: bonds (distance) C4'-P energy: -59.129 bonds (distance) P-C4' energy: -48.051 flat angles C4'-P-C4' energy: -65.420 flat angles P-C4'-P energy: -53.788 tors. eta vs tors. theta energy: -80.572 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: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1052.667332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.667332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.667332 (E_RNA) where: Base-Base interactions energy: -732.372 where: short stacking energy: -295.712 Base-Backbone interact. energy: -1.685 local terms energy: -318.610836 where: bonds (distance) C4'-P energy: -65.015 bonds (distance) P-C4' energy: -61.055 flat angles C4'-P-C4' energy: -66.644 flat angles P-C4'-P energy: -49.477 tors. eta vs tors. theta energy: -76.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -892.176653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.176653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.176653 (E_RNA) where: Base-Base interactions energy: -610.281 where: short stacking energy: -243.156 Base-Backbone interact. energy: -1.171 local terms energy: -280.724941 where: bonds (distance) C4'-P energy: -57.202 bonds (distance) P-C4' energy: -57.939 flat angles C4'-P-C4' energy: -66.241 flat angles P-C4'-P energy: -42.157 tors. eta vs tors. theta energy: -57.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -896.562478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.562478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.562478 (E_RNA) where: Base-Base interactions energy: -604.938 where: short stacking energy: -265.125 Base-Backbone interact. energy: -0.518 local terms energy: -291.106340 where: bonds (distance) C4'-P energy: -51.531 bonds (distance) P-C4' energy: -61.305 flat angles C4'-P-C4' energy: -65.199 flat angles P-C4'-P energy: -45.610 tors. eta vs tors. theta energy: -67.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -733.207056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.207056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.207056 (E_RNA) where: Base-Base interactions energy: -469.473 where: short stacking energy: -218.675 Base-Backbone interact. energy: -1.150 local terms energy: -262.583983 where: bonds (distance) C4'-P energy: -56.598 bonds (distance) P-C4' energy: -60.594 flat angles C4'-P-C4' energy: -60.543 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: -51.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -454.426962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.426962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.426962 (E_RNA) where: Base-Base interactions energy: -237.779 where: short stacking energy: -115.685 Base-Backbone interact. energy: -0.596 local terms energy: -216.052395 where: bonds (distance) C4'-P energy: -62.933 bonds (distance) P-C4' energy: -59.519 flat angles C4'-P-C4' energy: -60.269 flat angles P-C4'-P energy: -40.676 tors. eta vs tors. theta energy: 7.345 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: 413 Temperature: 0.900000 Total energy: -1362.270598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.270598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.270598 (E_RNA) where: Base-Base interactions energy: -965.744 where: short stacking energy: -404.609 Base-Backbone interact. energy: -0.307 local terms energy: -396.219137 where: bonds (distance) C4'-P energy: -77.280 bonds (distance) P-C4' energy: -67.291 flat angles C4'-P-C4' energy: -76.481 flat angles P-C4'-P energy: -59.293 tors. eta vs tors. theta energy: -115.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1264.260877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.260877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.260877 (E_RNA) where: Base-Base interactions energy: -904.820 where: short stacking energy: -350.420 Base-Backbone interact. energy: -1.728 local terms energy: -357.712801 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -76.356 flat angles P-C4'-P energy: -46.175 tors. eta vs tors. theta energy: -90.537 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: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1227.706028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.706028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.706028 (E_RNA) where: Base-Base interactions energy: -872.973 where: short stacking energy: -359.027 Base-Backbone interact. energy: 0.435 local terms energy: -355.167890 where: bonds (distance) C4'-P energy: -65.619 bonds (distance) P-C4' energy: -68.839 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -45.892 tors. eta vs tors. theta energy: -98.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1151.019992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.019992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.019992 (E_RNA) where: Base-Base interactions energy: -785.441 where: short stacking energy: -350.722 Base-Backbone interact. energy: -0.550 local terms energy: -365.028574 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -73.698 flat angles C4'-P-C4' energy: -80.887 flat angles P-C4'-P energy: -50.075 tors. eta vs tors. theta energy: -101.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1059.748028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.748028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.748028 (E_RNA) where: Base-Base interactions energy: -734.056 where: short stacking energy: -303.912 Base-Backbone interact. energy: -0.775 local terms energy: -324.916833 where: bonds (distance) C4'-P energy: -65.249 bonds (distance) P-C4' energy: -67.658 flat angles C4'-P-C4' energy: -69.905 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -75.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1063.302528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.302528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.302528 (E_RNA) where: Base-Base interactions energy: -752.292 where: short stacking energy: -312.405 Base-Backbone interact. energy: -0.700 local terms energy: -310.310155 where: bonds (distance) C4'-P energy: -60.845 bonds (distance) P-C4' energy: -51.423 flat angles C4'-P-C4' energy: -69.419 flat angles P-C4'-P energy: -49.347 tors. eta vs tors. theta energy: -79.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -919.979899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.979899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.979899 (E_RNA) where: Base-Base interactions energy: -636.485 where: short stacking energy: -254.317 Base-Backbone interact. energy: -1.089 local terms energy: -282.406315 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -57.403 flat angles P-C4'-P energy: -47.464 tors. eta vs tors. theta energy: -60.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -944.404904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.404904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.404904 (E_RNA) where: Base-Base interactions energy: -629.209 where: short stacking energy: -280.932 Base-Backbone interact. energy: -0.655 local terms energy: -314.541258 where: bonds (distance) C4'-P energy: -54.616 bonds (distance) P-C4' energy: -72.360 flat angles C4'-P-C4' energy: -62.012 flat angles P-C4'-P energy: -47.750 tors. eta vs tors. theta energy: -77.802 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: 9, replica: 3 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -765.854485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.854485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.854485 (E_RNA) where: Base-Base interactions energy: -490.883 where: short stacking energy: -226.725 Base-Backbone interact. energy: -1.620 local terms energy: -273.351644 where: bonds (distance) C4'-P energy: -49.127 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -36.360 tors. eta vs tors. theta energy: -53.642 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: 2 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -461.054525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.054525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.054525 (E_RNA) where: Base-Base interactions energy: -253.407 where: short stacking energy: -118.551 Base-Backbone interact. energy: 0.474 local terms energy: -208.121128 where: bonds (distance) C4'-P energy: -50.551 bonds (distance) P-C4' energy: -68.025 flat angles C4'-P-C4' energy: -57.793 flat angles P-C4'-P energy: -28.735 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1354.266350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.266350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.266350 (E_RNA) where: Base-Base interactions energy: -953.846 where: short stacking energy: -403.143 Base-Backbone interact. energy: -1.344 local terms energy: -399.075482 where: bonds (distance) C4'-P energy: -70.857 bonds (distance) P-C4' energy: -73.778 flat angles C4'-P-C4' energy: -78.341 flat angles P-C4'-P energy: -62.078 tors. eta vs tors. theta energy: -114.021 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: 2, replica: 7 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1264.796418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.796418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.796418 (E_RNA) where: Base-Base interactions energy: -923.071 where: short stacking energy: -367.537 Base-Backbone interact. energy: 0.741 local terms energy: -342.467147 where: bonds (distance) C4'-P energy: -65.700 bonds (distance) P-C4' energy: -69.238 flat angles C4'-P-C4' energy: -70.956 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: -94.834 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: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1239.581981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.581981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.581981 (E_RNA) where: Base-Base interactions energy: -863.635 where: short stacking energy: -363.972 Base-Backbone interact. energy: 0.485 local terms energy: -376.432032 where: bonds (distance) C4'-P energy: -65.885 bonds (distance) P-C4' energy: -69.922 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -58.376 tors. eta vs tors. theta energy: -109.692 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: 1 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1176.049935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.049935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.049935 (E_RNA) where: Base-Base interactions energy: -815.807 where: short stacking energy: -380.905 Base-Backbone interact. energy: -2.730 local terms energy: -357.512639 where: bonds (distance) C4'-P energy: -60.651 bonds (distance) P-C4' energy: -67.298 flat angles C4'-P-C4' energy: -83.231 flat angles P-C4'-P energy: -46.402 tors. eta vs tors. theta energy: -99.930 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: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1078.456142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.456142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.456142 (E_RNA) where: Base-Base interactions energy: -757.008 where: short stacking energy: -303.017 Base-Backbone interact. energy: -0.567 local terms energy: -320.880617 where: bonds (distance) C4'-P energy: -61.821 bonds (distance) P-C4' energy: -73.771 flat angles C4'-P-C4' energy: -71.705 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: -71.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1090.938951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.938951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.938951 (E_RNA) where: Base-Base interactions energy: -782.081 where: short stacking energy: -322.355 Base-Backbone interact. energy: 1.452 local terms energy: -310.309510 where: bonds (distance) C4'-P energy: -56.590 bonds (distance) P-C4' energy: -66.397 flat angles C4'-P-C4' energy: -57.903 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -82.621 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -988.261234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.261234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.261234 (E_RNA) where: Base-Base interactions energy: -676.744 where: short stacking energy: -277.790 Base-Backbone interact. energy: -0.446 local terms energy: -311.071693 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -63.741 flat angles C4'-P-C4' energy: -68.888 flat angles P-C4'-P energy: -43.583 tors. eta vs tors. theta energy: -74.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -859.263781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.263781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.263781 (E_RNA) where: Base-Base interactions energy: -600.394 where: short stacking energy: -252.964 Base-Backbone interact. energy: 0.905 local terms energy: -259.774146 where: bonds (distance) C4'-P energy: -52.972 bonds (distance) P-C4' energy: -65.142 flat angles C4'-P-C4' energy: -58.299 flat angles P-C4'-P energy: -31.281 tors. eta vs tors. theta energy: -52.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -800.227178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.227178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.227178 (E_RNA) where: Base-Base interactions energy: -555.279 where: short stacking energy: -227.421 Base-Backbone interact. energy: -2.439 local terms energy: -242.509052 where: bonds (distance) C4'-P energy: -61.224 bonds (distance) P-C4' energy: -55.491 flat angles C4'-P-C4' energy: -47.975 flat angles P-C4'-P energy: -35.173 tors. eta vs tors. theta energy: -42.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -435.764603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.764603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.764603 (E_RNA) where: Base-Base interactions energy: -228.833 where: short stacking energy: -131.781 Base-Backbone interact. energy: -0.570 local terms energy: -206.361515 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -62.196 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -21.116 tors. eta vs tors. theta energy: -7.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1338.000778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.000778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.000778 (E_RNA) where: Base-Base interactions energy: -947.382 where: short stacking energy: -413.706 Base-Backbone interact. energy: -1.491 local terms energy: -389.127574 where: bonds (distance) C4'-P energy: -66.904 bonds (distance) P-C4' energy: -64.501 flat angles C4'-P-C4' energy: -78.853 flat angles P-C4'-P energy: -58.234 tors. eta vs tors. theta energy: -120.635 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: 7 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1264.440430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.440430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.440430 (E_RNA) where: Base-Base interactions energy: -907.975 where: short stacking energy: -363.128 Base-Backbone interact. energy: 0.539 local terms energy: -357.004897 where: bonds (distance) C4'-P energy: -66.682 bonds (distance) P-C4' energy: -73.422 flat angles C4'-P-C4' energy: -79.561 flat angles P-C4'-P energy: -42.847 tors. eta vs tors. theta energy: -94.493 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: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1228.776900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.776900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.776900 (E_RNA) where: Base-Base interactions energy: -856.621 where: short stacking energy: -366.189 Base-Backbone interact. energy: -1.086 local terms energy: -371.070872 where: bonds (distance) C4'-P energy: -64.619 bonds (distance) P-C4' energy: -69.772 flat angles C4'-P-C4' energy: -78.389 flat angles P-C4'-P energy: -60.345 tors. eta vs tors. theta energy: -97.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1171.953121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.953121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.953121 (E_RNA) where: Base-Base interactions energy: -808.155 where: short stacking energy: -379.473 Base-Backbone interact. energy: -1.677 local terms energy: -362.121360 where: bonds (distance) C4'-P energy: -65.058 bonds (distance) P-C4' energy: -61.560 flat angles C4'-P-C4' energy: -79.083 flat angles P-C4'-P energy: -48.348 tors. eta vs tors. theta energy: -108.072 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: 5 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1070.283224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.283224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.283224 (E_RNA) where: Base-Base interactions energy: -747.637 where: short stacking energy: -324.232 Base-Backbone interact. energy: -1.567 local terms energy: -321.078952 where: bonds (distance) C4'-P energy: -68.034 bonds (distance) P-C4' energy: -56.030 flat angles C4'-P-C4' energy: -67.100 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -80.859 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: 415 Temperature: 1.150000 Total energy: -1106.431879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.431879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.431879 (E_RNA) where: Base-Base interactions energy: -777.028 where: short stacking energy: -320.313 Base-Backbone interact. energy: -2.046 local terms energy: -327.357876 where: bonds (distance) C4'-P energy: -66.710 bonds (distance) P-C4' energy: -62.703 flat angles C4'-P-C4' energy: -71.980 flat angles P-C4'-P energy: -42.071 tors. eta vs tors. theta energy: -83.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -975.532125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.532125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.532125 (E_RNA) where: Base-Base interactions energy: -653.888 where: short stacking energy: -297.627 Base-Backbone interact. energy: -0.619 local terms energy: -321.025215 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -67.779 flat angles P-C4'-P energy: -45.014 tors. eta vs tors. theta energy: -87.176 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: 6 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -826.656597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.656597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.656597 (E_RNA) where: Base-Base interactions energy: -550.493 where: short stacking energy: -254.298 Base-Backbone interact. energy: -1.754 local terms energy: -274.410052 where: bonds (distance) C4'-P energy: -64.826 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -63.414 flat angles P-C4'-P energy: -32.630 tors. eta vs tors. theta energy: -51.852 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: 415 Temperature: 1.300000 Total energy: -787.160941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.160941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.160941 (E_RNA) where: Base-Base interactions energy: -514.769 where: short stacking energy: -232.863 Base-Backbone interact. energy: 0.547 local terms energy: -272.938945 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -51.940 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -53.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -407.132224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.132224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.132224 (E_RNA) where: Base-Base interactions energy: -214.227 where: short stacking energy: -113.979 Base-Backbone interact. energy: 2.243 local terms energy: -195.148683 where: bonds (distance) C4'-P energy: -70.784 bonds (distance) P-C4' energy: -54.166 flat angles C4'-P-C4' energy: -46.151 flat angles P-C4'-P energy: -29.489 tors. eta vs tors. theta energy: 5.442 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: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1351.165374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.165374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.165374 (E_RNA) where: Base-Base interactions energy: -974.260 where: short stacking energy: -399.426 Base-Backbone interact. energy: 2.164 local terms energy: -379.069210 where: bonds (distance) C4'-P energy: -66.129 bonds (distance) P-C4' energy: -77.009 flat angles C4'-P-C4' energy: -77.855 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -114.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1256.466462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.466462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.466462 (E_RNA) where: Base-Base interactions energy: -891.397 where: short stacking energy: -365.037 Base-Backbone interact. energy: -0.595 local terms energy: -364.474825 where: bonds (distance) C4'-P energy: -70.355 bonds (distance) P-C4' energy: -73.644 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -42.021 tors. eta vs tors. theta energy: -97.468 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: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1255.833148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.833148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.833148 (E_RNA) where: Base-Base interactions energy: -899.597 where: short stacking energy: -382.301 Base-Backbone interact. energy: -0.407 local terms energy: -355.828424 where: bonds (distance) C4'-P energy: -67.855 bonds (distance) P-C4' energy: -63.678 flat angles C4'-P-C4' energy: -79.478 flat angles P-C4'-P energy: -44.067 tors. eta vs tors. theta energy: -100.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1160.595374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.595374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.595374 (E_RNA) where: Base-Base interactions energy: -803.185 where: short stacking energy: -354.981 Base-Backbone interact. energy: -1.803 local terms energy: -355.607854 where: bonds (distance) C4'-P energy: -69.568 bonds (distance) P-C4' energy: -60.596 flat angles C4'-P-C4' energy: -84.020 flat angles P-C4'-P energy: -48.259 tors. eta vs tors. theta energy: -93.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1070.215452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.215452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.215452 (E_RNA) where: Base-Base interactions energy: -763.980 where: short stacking energy: -307.889 Base-Backbone interact. energy: -4.050 local terms energy: -302.185713 where: bonds (distance) C4'-P energy: -71.329 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -66.127 flat angles P-C4'-P energy: -42.994 tors. eta vs tors. theta energy: -66.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1104.088413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.088413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.088413 (E_RNA) where: Base-Base interactions energy: -752.068 where: short stacking energy: -322.189 Base-Backbone interact. energy: -1.221 local terms energy: -350.799741 where: bonds (distance) C4'-P energy: -57.159 bonds (distance) P-C4' energy: -74.413 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -50.978 tors. eta vs tors. theta energy: -95.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -948.798887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.798887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.798887 (E_RNA) where: Base-Base interactions energy: -654.420 where: short stacking energy: -293.391 Base-Backbone interact. energy: -1.693 local terms energy: -292.685135 where: bonds (distance) C4'-P energy: -55.634 bonds (distance) P-C4' energy: -48.260 flat angles C4'-P-C4' energy: -63.810 flat angles P-C4'-P energy: -44.968 tors. eta vs tors. theta energy: -80.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -837.885463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.885463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.885463 (E_RNA) where: Base-Base interactions energy: -557.988 where: short stacking energy: -234.658 Base-Backbone interact. energy: 2.947 local terms energy: -282.844433 where: bonds (distance) C4'-P energy: -51.055 bonds (distance) P-C4' energy: -51.612 flat angles C4'-P-C4' energy: -65.889 flat angles P-C4'-P energy: -52.040 tors. eta vs tors. theta energy: -62.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -781.564981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.564981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.564981 (E_RNA) where: Base-Base interactions energy: -523.440 where: short stacking energy: -222.281 Base-Backbone interact. energy: -1.977 local terms energy: -256.147892 where: bonds (distance) C4'-P energy: -49.303 bonds (distance) P-C4' energy: -53.511 flat angles C4'-P-C4' energy: -60.216 flat angles P-C4'-P energy: -41.256 tors. eta vs tors. theta energy: -51.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -410.240021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.240021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.240021 (E_RNA) where: Base-Base interactions energy: -204.096 where: short stacking energy: -115.370 Base-Backbone interact. energy: -1.565 local terms energy: -204.578214 where: bonds (distance) C4'-P energy: -62.831 bonds (distance) P-C4' energy: -56.967 flat angles C4'-P-C4' energy: -55.588 flat angles P-C4'-P energy: -30.621 tors. eta vs tors. theta energy: 1.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1336.266429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.266429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.266429 (E_RNA) where: Base-Base interactions energy: -969.401 where: short stacking energy: -397.934 Base-Backbone interact. energy: -1.238 local terms energy: -365.626979 where: bonds (distance) C4'-P energy: -74.475 bonds (distance) P-C4' energy: -61.793 flat angles C4'-P-C4' energy: -74.737 flat angles P-C4'-P energy: -45.906 tors. eta vs tors. theta energy: -108.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1260.097251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.097251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.097251 (E_RNA) where: Base-Base interactions energy: -891.425 where: short stacking energy: -382.572 Base-Backbone interact. energy: 1.290 local terms energy: -369.962132 where: bonds (distance) C4'-P energy: -69.233 bonds (distance) P-C4' energy: -57.973 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -106.680 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: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1229.845788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.845788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.845788 (E_RNA) where: Base-Base interactions energy: -891.538 where: short stacking energy: -372.926 Base-Backbone interact. energy: -0.547 local terms energy: -337.761035 where: bonds (distance) C4'-P energy: -60.746 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -76.190 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -89.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1202.287283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.287283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.287283 (E_RNA) where: Base-Base interactions energy: -830.577 where: short stacking energy: -383.093 Base-Backbone interact. energy: -0.209 local terms energy: -371.501066 where: bonds (distance) C4'-P energy: -63.162 bonds (distance) P-C4' energy: -73.381 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -50.028 tors. eta vs tors. theta energy: -104.905 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: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1095.659808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.659808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.659808 (E_RNA) where: Base-Base interactions energy: -785.560 where: short stacking energy: -318.447 Base-Backbone interact. energy: 1.003 local terms energy: -311.102883 where: bonds (distance) C4'-P energy: -66.973 bonds (distance) P-C4' energy: -50.539 flat angles C4'-P-C4' energy: -69.405 flat angles P-C4'-P energy: -48.393 tors. eta vs tors. theta energy: -75.793 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: 6, replica: 8 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1086.492427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.492427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.492427 (E_RNA) where: Base-Base interactions energy: -764.551 where: short stacking energy: -324.852 Base-Backbone interact. energy: -2.052 local terms energy: -319.889438 where: bonds (distance) C4'-P energy: -57.442 bonds (distance) P-C4' energy: -61.832 flat angles C4'-P-C4' energy: -72.447 flat angles P-C4'-P energy: -44.190 tors. eta vs tors. theta energy: -83.979 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: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -913.022559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.022559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.022559 (E_RNA) where: Base-Base interactions energy: -615.352 where: short stacking energy: -272.465 Base-Backbone interact. energy: -1.249 local terms energy: -296.421802 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -72.323 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -63.032 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: 6 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -869.665131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.665131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.665131 (E_RNA) where: Base-Base interactions energy: -593.720 where: short stacking energy: -263.006 Base-Backbone interact. energy: 1.557 local terms energy: -277.501757 where: bonds (distance) C4'-P energy: -48.796 bonds (distance) P-C4' energy: -68.244 flat angles C4'-P-C4' energy: -61.417 flat angles P-C4'-P energy: -34.201 tors. eta vs tors. theta energy: -64.844 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: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -754.619354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.619354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.619354 (E_RNA) where: Base-Base interactions energy: -506.141 where: short stacking energy: -213.894 Base-Backbone interact. energy: 0.426 local terms energy: -248.904417 where: bonds (distance) C4'-P energy: -56.072 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -50.905 flat angles P-C4'-P energy: -34.906 tors. eta vs tors. theta energy: -48.316 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: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -419.587694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.587694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.587694 (E_RNA) where: Base-Base interactions energy: -237.074 where: short stacking energy: -119.582 Base-Backbone interact. energy: -1.995 local terms energy: -180.518409 where: bonds (distance) C4'-P energy: -48.642 bonds (distance) P-C4' energy: -48.435 flat angles C4'-P-C4' energy: -44.477 flat angles P-C4'-P energy: -28.346 tors. eta vs tors. theta energy: -10.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1358.275541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.275541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.275541 (E_RNA) where: Base-Base interactions energy: -965.139 where: short stacking energy: -394.799 Base-Backbone interact. energy: -1.191 local terms energy: -391.945655 where: bonds (distance) C4'-P energy: -68.225 bonds (distance) P-C4' energy: -80.999 flat angles C4'-P-C4' energy: -76.286 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -114.653 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: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1254.777331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.777331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.777331 (E_RNA) where: Base-Base interactions energy: -895.667 where: short stacking energy: -391.804 Base-Backbone interact. energy: 0.453 local terms energy: -359.563449 where: bonds (distance) C4'-P energy: -67.682 bonds (distance) P-C4' energy: -62.046 flat angles C4'-P-C4' energy: -78.712 flat angles P-C4'-P energy: -50.615 tors. eta vs tors. theta energy: -100.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1194.652465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.652465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.652465 (E_RNA) where: Base-Base interactions energy: -824.113 where: short stacking energy: -369.826 Base-Backbone interact. energy: -1.841 local terms energy: -368.697904 where: bonds (distance) C4'-P energy: -61.714 bonds (distance) P-C4' energy: -62.884 flat angles C4'-P-C4' energy: -82.508 flat angles P-C4'-P energy: -53.487 tors. eta vs tors. theta energy: -108.105 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: 418 Temperature: 1.050000 Total energy: -1196.184917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.184917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.184917 (E_RNA) where: Base-Base interactions energy: -862.445 where: short stacking energy: -343.376 Base-Backbone interact. energy: -0.106 local terms energy: -333.633878 where: bonds (distance) C4'-P energy: -55.242 bonds (distance) P-C4' energy: -61.021 flat angles C4'-P-C4' energy: -79.904 flat angles P-C4'-P energy: -55.511 tors. eta vs tors. theta energy: -81.956 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: 418 Temperature: 1.100000 Total energy: -1166.689886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.689886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.689886 (E_RNA) where: Base-Base interactions energy: -826.605 where: short stacking energy: -364.466 Base-Backbone interact. energy: 1.382 local terms energy: -341.467425 where: bonds (distance) C4'-P energy: -75.070 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -72.861 flat angles P-C4'-P energy: -45.037 tors. eta vs tors. theta energy: -96.315 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: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1059.491912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.491912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.491912 (E_RNA) where: Base-Base interactions energy: -748.238 where: short stacking energy: -304.823 Base-Backbone interact. energy: -1.562 local terms energy: -309.691416 where: bonds (distance) C4'-P energy: -57.116 bonds (distance) P-C4' energy: -68.388 flat angles C4'-P-C4' energy: -67.804 flat angles P-C4'-P energy: -43.068 tors. eta vs tors. theta energy: -73.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -891.998439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.998439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.998439 (E_RNA) where: Base-Base interactions energy: -612.287 where: short stacking energy: -254.384 Base-Backbone interact. energy: 0.347 local terms energy: -280.058416 where: bonds (distance) C4'-P energy: -53.592 bonds (distance) P-C4' energy: -50.539 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -50.513 tors. eta vs tors. theta energy: -56.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -903.643022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.643022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.643022 (E_RNA) where: Base-Base interactions energy: -625.436 where: short stacking energy: -250.418 Base-Backbone interact. energy: -0.632 local terms energy: -277.574670 where: bonds (distance) C4'-P energy: -57.851 bonds (distance) P-C4' energy: -67.897 flat angles C4'-P-C4' energy: -57.823 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -61.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -692.382448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.382448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.382448 (E_RNA) where: Base-Base interactions energy: -465.849 where: short stacking energy: -211.379 Base-Backbone interact. energy: -1.776 local terms energy: -224.757258 where: bonds (distance) C4'-P energy: -49.030 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -58.498 flat angles P-C4'-P energy: -22.341 tors. eta vs tors. theta energy: -41.287 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: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -420.182743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.182743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.182743 (E_RNA) where: Base-Base interactions energy: -232.523 where: short stacking energy: -128.669 Base-Backbone interact. energy: 0.331 local terms energy: -187.990413 where: bonds (distance) C4'-P energy: -58.374 bonds (distance) P-C4' energy: -41.376 flat angles C4'-P-C4' energy: -50.199 flat angles P-C4'-P energy: -24.715 tors. eta vs tors. theta energy: -13.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1360.959389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.959389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.959389 (E_RNA) where: Base-Base interactions energy: -967.287 where: short stacking energy: -397.495 Base-Backbone interact. energy: 1.818 local terms energy: -395.489701 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -74.772 flat angles C4'-P-C4' energy: -87.954 flat angles P-C4'-P energy: -45.750 tors. eta vs tors. theta energy: -113.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1262.854324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.854324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.854324 (E_RNA) where: Base-Base interactions energy: -890.435 where: short stacking energy: -382.940 Base-Backbone interact. energy: -0.165 local terms energy: -372.253634 where: bonds (distance) C4'-P energy: -73.264 bonds (distance) P-C4' energy: -65.690 flat angles C4'-P-C4' energy: -77.355 flat angles P-C4'-P energy: -51.451 tors. eta vs tors. theta energy: -104.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1200.982815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.982815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.982815 (E_RNA) where: Base-Base interactions energy: -818.970 where: short stacking energy: -365.606 Base-Backbone interact. energy: -1.596 local terms energy: -380.417159 where: bonds (distance) C4'-P energy: -66.657 bonds (distance) P-C4' energy: -69.221 flat angles C4'-P-C4' energy: -85.201 flat angles P-C4'-P energy: -54.690 tors. eta vs tors. theta energy: -104.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1204.341164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.341164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.341164 (E_RNA) where: Base-Base interactions energy: -863.444 where: short stacking energy: -340.356 Base-Backbone interact. energy: 0.322 local terms energy: -341.219833 where: bonds (distance) C4'-P energy: -58.413 bonds (distance) P-C4' energy: -70.213 flat angles C4'-P-C4' energy: -75.845 flat angles P-C4'-P energy: -45.027 tors. eta vs tors. theta energy: -91.721 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: 8 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1110.565701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.565701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.565701 (E_RNA) where: Base-Base interactions energy: -788.151 where: short stacking energy: -328.276 Base-Backbone interact. energy: -0.761 local terms energy: -321.653640 where: bonds (distance) C4'-P energy: -52.094 bonds (distance) P-C4' energy: -60.796 flat angles C4'-P-C4' energy: -67.889 flat angles P-C4'-P energy: -51.093 tors. eta vs tors. theta energy: -89.783 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: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1045.094211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.094211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.094211 (E_RNA) where: Base-Base interactions energy: -746.823 where: short stacking energy: -315.138 Base-Backbone interact. energy: 4.132 local terms energy: -302.403465 where: bonds (distance) C4'-P energy: -57.952 bonds (distance) P-C4' energy: -64.135 flat angles C4'-P-C4' energy: -54.632 flat angles P-C4'-P energy: -45.744 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: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -886.346633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.346633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.346633 (E_RNA) where: Base-Base interactions energy: -588.026 where: short stacking energy: -241.653 Base-Backbone interact. energy: -0.949 local terms energy: -297.372035 where: bonds (distance) C4'-P energy: -70.934 bonds (distance) P-C4' energy: -73.361 flat angles C4'-P-C4' energy: -62.916 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -48.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -912.654209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.654209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.654209 (E_RNA) where: Base-Base interactions energy: -630.530 where: short stacking energy: -269.728 Base-Backbone interact. energy: 1.892 local terms energy: -284.016017 where: bonds (distance) C4'-P energy: -56.512 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -59.327 flat angles P-C4'-P energy: -40.443 tors. eta vs tors. theta energy: -65.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -742.424830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.424830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.424830 (E_RNA) where: Base-Base interactions energy: -488.963 where: short stacking energy: -206.256 Base-Backbone interact. energy: -0.759 local terms energy: -252.702622 where: bonds (distance) C4'-P energy: -52.440 bonds (distance) P-C4' energy: -64.244 flat angles C4'-P-C4' energy: -69.906 flat angles P-C4'-P energy: -27.427 tors. eta vs tors. theta energy: -38.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -447.211722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.211722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.211722 (E_RNA) where: Base-Base interactions energy: -252.953 where: short stacking energy: -124.886 Base-Backbone interact. energy: 6.580 local terms energy: -200.838447 where: bonds (distance) C4'-P energy: -65.750 bonds (distance) P-C4' energy: -70.384 flat angles C4'-P-C4' energy: -43.116 flat angles P-C4'-P energy: -14.764 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1361.432472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.432472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.432472 (E_RNA) where: Base-Base interactions energy: -962.586 where: short stacking energy: -383.794 Base-Backbone interact. energy: -1.891 local terms energy: -396.955435 where: bonds (distance) C4'-P energy: -74.243 bonds (distance) P-C4' energy: -76.082 flat angles C4'-P-C4' energy: -74.101 flat angles P-C4'-P energy: -60.793 tors. eta vs tors. theta energy: -111.736 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: 2, replica: 9 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1270.833352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.833352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.833352 (E_RNA) where: Base-Base interactions energy: -879.898 where: short stacking energy: -379.644 Base-Backbone interact. energy: -2.381 local terms energy: -388.554291 where: bonds (distance) C4'-P energy: -71.326 bonds (distance) P-C4' energy: -73.675 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -59.096 tors. eta vs tors. theta energy: -110.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1249.094011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.094011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.094011 (E_RNA) where: Base-Base interactions energy: -892.496 where: short stacking energy: -356.574 Base-Backbone interact. energy: -2.808 local terms energy: -353.790099 where: bonds (distance) C4'-P energy: -67.795 bonds (distance) P-C4' energy: -66.323 flat angles C4'-P-C4' energy: -80.432 flat angles P-C4'-P energy: -54.234 tors. eta vs tors. theta energy: -85.006 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: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1173.322421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.322421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.322421 (E_RNA) where: Base-Base interactions energy: -822.042 where: short stacking energy: -360.532 Base-Backbone interact. energy: 2.749 local terms energy: -354.029085 where: bonds (distance) C4'-P energy: -57.891 bonds (distance) P-C4' energy: -72.505 flat angles C4'-P-C4' energy: -74.082 flat angles P-C4'-P energy: -51.469 tors. eta vs tors. theta energy: -98.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1132.143750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.143750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.143750 (E_RNA) where: Base-Base interactions energy: -786.642 where: short stacking energy: -329.141 Base-Backbone interact. energy: 1.347 local terms energy: -346.849064 where: bonds (distance) C4'-P energy: -66.668 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -66.077 flat angles P-C4'-P energy: -57.242 tors. eta vs tors. theta energy: -93.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1059.282655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.282655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.282655 (E_RNA) where: Base-Base interactions energy: -773.581 where: short stacking energy: -311.744 Base-Backbone interact. energy: -1.404 local terms energy: -284.298163 where: bonds (distance) C4'-P energy: -37.233 bonds (distance) P-C4' energy: -64.253 flat angles C4'-P-C4' energy: -64.407 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -75.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -952.914607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.914607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.914607 (E_RNA) where: Base-Base interactions energy: -665.524 where: short stacking energy: -265.057 Base-Backbone interact. energy: 0.726 local terms energy: -288.116142 where: bonds (distance) C4'-P energy: -52.692 bonds (distance) P-C4' energy: -58.419 flat angles C4'-P-C4' energy: -63.676 flat angles P-C4'-P energy: -41.703 tors. eta vs tors. theta energy: -71.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -873.844995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.844995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.844995 (E_RNA) where: Base-Base interactions energy: -595.281 where: short stacking energy: -257.163 Base-Backbone interact. energy: -1.229 local terms energy: -277.334543 where: bonds (distance) C4'-P energy: -60.204 bonds (distance) P-C4' energy: -62.504 flat angles C4'-P-C4' energy: -62.222 flat angles P-C4'-P energy: -34.941 tors. eta vs tors. theta energy: -57.463 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: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -723.949721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.949721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.949721 (E_RNA) where: Base-Base interactions energy: -479.873 where: short stacking energy: -219.275 Base-Backbone interact. energy: -0.673 local terms energy: -243.403383 where: bonds (distance) C4'-P energy: -62.378 bonds (distance) P-C4' energy: -49.901 flat angles C4'-P-C4' energy: -47.000 flat angles P-C4'-P energy: -45.444 tors. eta vs tors. theta energy: -38.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -479.536199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.536199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.536199 (E_RNA) where: Base-Base interactions energy: -272.742 where: short stacking energy: -138.739 Base-Backbone interact. energy: -0.382 local terms energy: -206.412967 where: bonds (distance) C4'-P energy: -46.431 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -53.394 flat angles P-C4'-P energy: -30.189 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1355.741878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.741878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.741878 (E_RNA) where: Base-Base interactions energy: -973.244 where: short stacking energy: -384.232 Base-Backbone interact. energy: -0.885 local terms energy: -381.612416 where: bonds (distance) C4'-P energy: -65.755 bonds (distance) P-C4' energy: -68.092 flat angles C4'-P-C4' energy: -80.766 flat angles P-C4'-P energy: -55.117 tors. eta vs tors. theta energy: -111.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1269.130371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.130371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.130371 (E_RNA) where: Base-Base interactions energy: -891.550 where: short stacking energy: -380.524 Base-Backbone interact. energy: -1.093 local terms energy: -376.487305 where: bonds (distance) C4'-P energy: -68.652 bonds (distance) P-C4' energy: -74.300 flat angles C4'-P-C4' energy: -78.080 flat angles P-C4'-P energy: -50.333 tors. eta vs tors. theta energy: -105.122 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: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1234.757725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.757725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.757725 (E_RNA) where: Base-Base interactions energy: -910.778 where: short stacking energy: -365.771 Base-Backbone interact. energy: 3.357 local terms energy: -327.337324 where: bonds (distance) C4'-P energy: -59.536 bonds (distance) P-C4' energy: -55.923 flat angles C4'-P-C4' energy: -75.729 flat angles P-C4'-P energy: -45.004 tors. eta vs tors. theta energy: -91.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1144.314249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.314249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.314249 (E_RNA) where: Base-Base interactions energy: -808.432 where: short stacking energy: -324.814 Base-Backbone interact. energy: -2.229 local terms energy: -333.652952 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -58.790 flat angles C4'-P-C4' energy: -75.430 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -86.877 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: 5, replica: 1 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1140.179117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.179117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.179117 (E_RNA) where: Base-Base interactions energy: -792.292 where: short stacking energy: -364.643 Base-Backbone interact. energy: -0.893 local terms energy: -346.994731 where: bonds (distance) C4'-P energy: -56.141 bonds (distance) P-C4' energy: -58.009 flat angles C4'-P-C4' energy: -80.763 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: -105.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1049.328506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.328506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.328506 (E_RNA) where: Base-Base interactions energy: -749.023 where: short stacking energy: -307.283 Base-Backbone interact. energy: -2.320 local terms energy: -297.985087 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -62.105 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -78.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1001.143768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.143768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.143768 (E_RNA) where: Base-Base interactions energy: -701.922 where: short stacking energy: -303.196 Base-Backbone interact. energy: -0.621 local terms energy: -298.600180 where: bonds (distance) C4'-P energy: -52.037 bonds (distance) P-C4' energy: -66.301 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -47.097 tors. eta vs tors. theta energy: -71.369 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: 6 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -862.752759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.752759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.752759 (E_RNA) where: Base-Base interactions energy: -568.888 where: short stacking energy: -253.664 Base-Backbone interact. energy: -0.591 local terms energy: -293.273785 where: bonds (distance) C4'-P energy: -60.282 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -69.417 flat angles P-C4'-P energy: -44.392 tors. eta vs tors. theta energy: -57.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -751.320487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.320487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.320487 (E_RNA) where: Base-Base interactions energy: -496.119 where: short stacking energy: -229.202 Base-Backbone interact. energy: -1.479 local terms energy: -253.722609 where: bonds (distance) C4'-P energy: -53.125 bonds (distance) P-C4' energy: -55.952 flat angles C4'-P-C4' energy: -58.996 flat angles P-C4'-P energy: -25.638 tors. eta vs tors. theta energy: -60.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -487.817172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.817172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.817172 (E_RNA) where: Base-Base interactions energy: -273.773 where: short stacking energy: -134.966 Base-Backbone interact. energy: -2.073 local terms energy: -211.971162 where: bonds (distance) C4'-P energy: -55.606 bonds (distance) P-C4' energy: -65.237 flat angles C4'-P-C4' energy: -38.129 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -10.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1383.009347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.009347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.009347 (E_RNA) where: Base-Base interactions energy: -984.648 where: short stacking energy: -403.554 Base-Backbone interact. energy: -0.536 local terms energy: -397.825403 where: bonds (distance) C4'-P energy: -71.709 bonds (distance) P-C4' energy: -75.286 flat angles C4'-P-C4' energy: -83.039 flat angles P-C4'-P energy: -56.908 tors. eta vs tors. theta energy: -110.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1290.257636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.257636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.257636 (E_RNA) where: Base-Base interactions energy: -916.889 where: short stacking energy: -376.687 Base-Backbone interact. energy: -1.476 local terms energy: -371.892126 where: bonds (distance) C4'-P energy: -71.254 bonds (distance) P-C4' energy: -68.317 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -47.067 tors. eta vs tors. theta energy: -103.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1233.551045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.551045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.551045 (E_RNA) where: Base-Base interactions energy: -889.357 where: short stacking energy: -360.474 Base-Backbone interact. energy: 1.744 local terms energy: -345.938554 where: bonds (distance) C4'-P energy: -65.018 bonds (distance) P-C4' energy: -67.693 flat angles C4'-P-C4' energy: -71.609 flat angles P-C4'-P energy: -55.651 tors. eta vs tors. theta energy: -85.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1148.276069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.276069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.276069 (E_RNA) where: Base-Base interactions energy: -823.977 where: short stacking energy: -334.113 Base-Backbone interact. energy: -0.844 local terms energy: -323.455736 where: bonds (distance) C4'-P energy: -61.208 bonds (distance) P-C4' energy: -66.733 flat angles C4'-P-C4' energy: -62.601 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -86.658 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: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1133.351347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.351347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.351347 (E_RNA) where: Base-Base interactions energy: -792.934 where: short stacking energy: -356.185 Base-Backbone interact. energy: 0.195 local terms energy: -340.612857 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -61.943 flat angles C4'-P-C4' energy: -78.271 flat angles P-C4'-P energy: -47.573 tors. eta vs tors. theta energy: -95.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1010.941947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.941947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.941947 (E_RNA) where: Base-Base interactions energy: -732.259 where: short stacking energy: -302.510 Base-Backbone interact. energy: -1.308 local terms energy: -277.374406 where: bonds (distance) C4'-P energy: -49.167 bonds (distance) P-C4' energy: -61.103 flat angles C4'-P-C4' energy: -62.070 flat angles P-C4'-P energy: -34.130 tors. eta vs tors. theta energy: -70.904 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: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1008.672312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.672312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.672312 (E_RNA) where: Base-Base interactions energy: -702.996 where: short stacking energy: -303.174 Base-Backbone interact. energy: 0.076 local terms energy: -305.752888 where: bonds (distance) C4'-P energy: -55.678 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -65.684 flat angles P-C4'-P energy: -45.595 tors. eta vs tors. theta energy: -80.695 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: 6 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -869.112906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.112906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.112906 (E_RNA) where: Base-Base interactions energy: -598.980 where: short stacking energy: -243.546 Base-Backbone interact. energy: -3.370 local terms energy: -266.763208 where: bonds (distance) C4'-P energy: -54.562 bonds (distance) P-C4' energy: -66.041 flat angles C4'-P-C4' energy: -56.242 flat angles P-C4'-P energy: -27.163 tors. eta vs tors. theta energy: -62.756 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: 422 Temperature: 1.300000 Total energy: -781.788225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.788225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.788225 (E_RNA) where: Base-Base interactions energy: -502.509 where: short stacking energy: -228.899 Base-Backbone interact. energy: -0.284 local terms energy: -278.995407 where: bonds (distance) C4'-P energy: -59.856 bonds (distance) P-C4' energy: -42.782 flat angles C4'-P-C4' energy: -63.340 flat angles P-C4'-P energy: -50.651 tors. eta vs tors. theta energy: -62.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -530.690133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.690133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.690133 (E_RNA) where: Base-Base interactions energy: -325.952 where: short stacking energy: -153.938 Base-Backbone interact. energy: 3.972 local terms energy: -208.710528 where: bonds (distance) C4'-P energy: -51.952 bonds (distance) P-C4' energy: -56.085 flat angles C4'-P-C4' energy: -53.658 flat angles P-C4'-P energy: -25.682 tors. eta vs tors. theta energy: -21.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1345.869774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.869774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.869774 (E_RNA) where: Base-Base interactions energy: -969.344 where: short stacking energy: -395.197 Base-Backbone interact. energy: -2.113 local terms energy: -374.412649 where: bonds (distance) C4'-P energy: -57.932 bonds (distance) P-C4' energy: -62.539 flat angles C4'-P-C4' energy: -83.227 flat angles P-C4'-P energy: -56.980 tors. eta vs tors. theta energy: -113.734 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: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1257.668572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.668572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.668572 (E_RNA) where: Base-Base interactions energy: -894.951 where: short stacking energy: -369.845 Base-Backbone interact. energy: -2.477 local terms energy: -360.239943 where: bonds (distance) C4'-P energy: -68.198 bonds (distance) P-C4' energy: -74.408 flat angles C4'-P-C4' energy: -64.483 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -101.676 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: 7 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1185.283049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.283049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.283049 (E_RNA) where: Base-Base interactions energy: -857.329 where: short stacking energy: -348.048 Base-Backbone interact. energy: -1.039 local terms energy: -326.915616 where: bonds (distance) C4'-P energy: -56.945 bonds (distance) P-C4' energy: -67.397 flat angles C4'-P-C4' energy: -72.224 flat angles P-C4'-P energy: -39.461 tors. eta vs tors. theta energy: -90.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1144.699902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.699902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.699902 (E_RNA) where: Base-Base interactions energy: -776.690 where: short stacking energy: -357.717 Base-Backbone interact. energy: -1.897 local terms energy: -366.112690 where: bonds (distance) C4'-P energy: -65.516 bonds (distance) P-C4' energy: -65.164 flat angles C4'-P-C4' energy: -70.315 flat angles P-C4'-P energy: -56.039 tors. eta vs tors. theta energy: -109.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1109.367489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.367489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.367489 (E_RNA) where: Base-Base interactions energy: -786.450 where: short stacking energy: -319.638 Base-Backbone interact. energy: -1.532 local terms energy: -321.385772 where: bonds (distance) C4'-P energy: -67.588 bonds (distance) P-C4' energy: -71.248 flat angles C4'-P-C4' energy: -70.101 flat angles P-C4'-P energy: -34.802 tors. eta vs tors. theta energy: -77.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1052.258693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.258693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.258693 (E_RNA) where: Base-Base interactions energy: -722.480 where: short stacking energy: -332.155 Base-Backbone interact. energy: 0.645 local terms energy: -330.423523 where: bonds (distance) C4'-P energy: -58.064 bonds (distance) P-C4' energy: -69.710 flat angles C4'-P-C4' energy: -69.613 flat angles P-C4'-P energy: -41.650 tors. eta vs tors. theta energy: -91.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1006.464090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.464090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.464090 (E_RNA) where: Base-Base interactions energy: -696.931 where: short stacking energy: -283.786 Base-Backbone interact. energy: -1.065 local terms energy: -308.468178 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -69.317 flat angles P-C4'-P energy: -44.687 tors. eta vs tors. theta energy: -82.072 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: 6 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -907.489256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.489256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.489256 (E_RNA) where: Base-Base interactions energy: -621.656 where: short stacking energy: -268.926 Base-Backbone interact. energy: 0.302 local terms energy: -286.135862 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -67.499 flat angles C4'-P-C4' energy: -49.361 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: -69.666 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: 3 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -815.694689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.694689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.694689 (E_RNA) where: Base-Base interactions energy: -541.431 where: short stacking energy: -240.302 Base-Backbone interact. energy: 0.164 local terms energy: -274.427466 where: bonds (distance) C4'-P energy: -49.944 bonds (distance) P-C4' energy: -68.451 flat angles C4'-P-C4' energy: -51.621 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: -61.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -504.684467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.684467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.684467 (E_RNA) where: Base-Base interactions energy: -294.930 where: short stacking energy: -152.713 Base-Backbone interact. energy: -0.696 local terms energy: -209.058436 where: bonds (distance) C4'-P energy: -64.400 bonds (distance) P-C4' energy: -53.821 flat angles C4'-P-C4' energy: -34.513 flat angles P-C4'-P energy: -37.807 tors. eta vs tors. theta energy: -18.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1375.700719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.700719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.700719 (E_RNA) where: Base-Base interactions energy: -990.794 where: short stacking energy: -398.217 Base-Backbone interact. energy: -1.827 local terms energy: -383.079312 where: bonds (distance) C4'-P energy: -57.942 bonds (distance) P-C4' energy: -72.694 flat angles C4'-P-C4' energy: -81.422 flat angles P-C4'-P energy: -57.231 tors. eta vs tors. theta energy: -113.791 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: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1288.482595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.482595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.482595 (E_RNA) where: Base-Base interactions energy: -931.345 where: short stacking energy: -394.665 Base-Backbone interact. energy: 0.451 local terms energy: -357.588007 where: bonds (distance) C4'-P energy: -58.503 bonds (distance) P-C4' energy: -73.292 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -103.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1207.893409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.893409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.893409 (E_RNA) where: Base-Base interactions energy: -851.811 where: short stacking energy: -340.188 Base-Backbone interact. energy: 0.181 local terms energy: -356.263105 where: bonds (distance) C4'-P energy: -71.546 bonds (distance) P-C4' energy: -76.331 flat angles C4'-P-C4' energy: -81.873 flat angles P-C4'-P energy: -42.089 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: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1165.006870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.006870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.006870 (E_RNA) where: Base-Base interactions energy: -806.806 where: short stacking energy: -366.258 Base-Backbone interact. energy: 0.719 local terms energy: -358.919629 where: bonds (distance) C4'-P energy: -69.403 bonds (distance) P-C4' energy: -71.246 flat angles C4'-P-C4' energy: -59.148 flat angles P-C4'-P energy: -55.467 tors. eta vs tors. theta energy: -103.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1101.215270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.215270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.215270 (E_RNA) where: Base-Base interactions energy: -765.596 where: short stacking energy: -333.590 Base-Backbone interact. energy: 0.429 local terms energy: -336.048577 where: bonds (distance) C4'-P energy: -76.582 bonds (distance) P-C4' energy: -63.766 flat angles C4'-P-C4' energy: -74.692 flat angles P-C4'-P energy: -39.228 tors. eta vs tors. theta energy: -81.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1075.800729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.800729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.800729 (E_RNA) where: Base-Base interactions energy: -751.084 where: short stacking energy: -318.670 Base-Backbone interact. energy: 0.965 local terms energy: -325.681655 where: bonds (distance) C4'-P energy: -60.993 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -86.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -967.249119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.249119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.249119 (E_RNA) where: Base-Base interactions energy: -681.120 where: short stacking energy: -282.330 Base-Backbone interact. energy: 4.377 local terms energy: -290.506224 where: bonds (distance) C4'-P energy: -64.480 bonds (distance) P-C4' energy: -56.411 flat angles C4'-P-C4' energy: -60.514 flat angles P-C4'-P energy: -36.631 tors. eta vs tors. theta energy: -72.470 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: 6 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -902.762405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.762405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.762405 (E_RNA) where: Base-Base interactions energy: -615.944 where: short stacking energy: -266.127 Base-Backbone interact. energy: -1.232 local terms energy: -285.585802 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -56.687 flat angles C4'-P-C4' energy: -67.705 flat angles P-C4'-P energy: -41.098 tors. eta vs tors. theta energy: -61.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -808.266313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.266313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.266313 (E_RNA) where: Base-Base interactions energy: -540.023 where: short stacking energy: -248.990 Base-Backbone interact. energy: 0.574 local terms energy: -268.816938 where: bonds (distance) C4'-P energy: -44.687 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -54.807 flat angles P-C4'-P energy: -41.381 tors. eta vs tors. theta energy: -61.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -474.319634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.319634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.319634 (E_RNA) where: Base-Base interactions energy: -280.030 where: short stacking energy: -163.762 Base-Backbone interact. energy: -2.264 local terms energy: -192.025931 where: bonds (distance) C4'-P energy: -42.971 bonds (distance) P-C4' energy: -60.307 flat angles C4'-P-C4' energy: -45.844 flat angles P-C4'-P energy: -25.913 tors. eta vs tors. theta energy: -16.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1348.169164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.169164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.169164 (E_RNA) where: Base-Base interactions energy: -938.706 where: short stacking energy: -377.849 Base-Backbone interact. energy: 0.971 local terms energy: -410.434610 where: bonds (distance) C4'-P energy: -75.622 bonds (distance) P-C4' energy: -76.784 flat angles C4'-P-C4' energy: -90.439 flat angles P-C4'-P energy: -58.359 tors. eta vs tors. theta energy: -109.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1255.530892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.530892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.530892 (E_RNA) where: Base-Base interactions energy: -897.287 where: short stacking energy: -381.685 Base-Backbone interact. energy: -0.799 local terms energy: -357.445428 where: bonds (distance) C4'-P energy: -69.017 bonds (distance) P-C4' energy: -63.724 flat angles C4'-P-C4' energy: -69.619 flat angles P-C4'-P energy: -48.862 tors. eta vs tors. theta energy: -106.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1211.168302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.168302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.168302 (E_RNA) where: Base-Base interactions energy: -871.631 where: short stacking energy: -339.571 Base-Backbone interact. energy: 0.222 local terms energy: -339.759551 where: bonds (distance) C4'-P energy: -68.417 bonds (distance) P-C4' energy: -68.691 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -39.204 tors. eta vs tors. theta energy: -88.174 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: 1 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1200.797112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.797112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.797112 (E_RNA) where: Base-Base interactions energy: -811.684 where: short stacking energy: -372.656 Base-Backbone interact. energy: -0.667 local terms energy: -388.445491 where: bonds (distance) C4'-P energy: -78.029 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -73.853 flat angles P-C4'-P energy: -63.268 tors. eta vs tors. theta energy: -109.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1101.157175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.157175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.157175 (E_RNA) where: Base-Base interactions energy: -760.121 where: short stacking energy: -313.244 Base-Backbone interact. energy: -0.602 local terms energy: -340.434225 where: bonds (distance) C4'-P energy: -67.105 bonds (distance) P-C4' energy: -57.410 flat angles C4'-P-C4' energy: -79.781 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -91.333 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1059.434353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.434353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.434353 (E_RNA) where: Base-Base interactions energy: -745.836 where: short stacking energy: -335.665 Base-Backbone interact. energy: 1.407 local terms energy: -315.005640 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -54.974 flat angles C4'-P-C4' energy: -60.091 flat angles P-C4'-P energy: -44.408 tors. eta vs tors. theta energy: -97.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -936.516179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.516179 (E_RNA) where: Base-Base interactions energy: -655.633 where: short stacking energy: -274.535 Base-Backbone interact. energy: 1.812 local terms energy: -282.695775 where: bonds (distance) C4'-P energy: -59.374 bonds (distance) P-C4' energy: -52.256 flat angles C4'-P-C4' energy: -61.411 flat angles P-C4'-P energy: -41.597 tors. eta vs tors. theta energy: -68.058 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: 425 Temperature: 1.250000 Total energy: -822.776411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.776411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.776411 (E_RNA) where: Base-Base interactions energy: -554.716 where: short stacking energy: -231.806 Base-Backbone interact. energy: 3.354 local terms energy: -271.413828 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -61.082 flat angles P-C4'-P energy: -38.059 tors. eta vs tors. theta energy: -56.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -788.142807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.142807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.142807 (E_RNA) where: Base-Base interactions energy: -500.976 where: short stacking energy: -241.883 Base-Backbone interact. energy: -1.515 local terms energy: -285.651664 where: bonds (distance) C4'-P energy: -55.223 bonds (distance) P-C4' energy: -67.799 flat angles C4'-P-C4' energy: -60.340 flat angles P-C4'-P energy: -42.662 tors. eta vs tors. theta energy: -59.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -470.655645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.655645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.655645 (E_RNA) where: Base-Base interactions energy: -288.629 where: short stacking energy: -146.355 Base-Backbone interact. energy: -1.349 local terms energy: -180.677859 where: bonds (distance) C4'-P energy: -52.495 bonds (distance) P-C4' energy: -52.463 flat angles C4'-P-C4' energy: -55.725 flat angles P-C4'-P energy: -22.963 tors. eta vs tors. theta energy: 2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1351.928043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.928043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.928043 (E_RNA) where: Base-Base interactions energy: -966.702 where: short stacking energy: -389.080 Base-Backbone interact. energy: -1.915 local terms energy: -383.310528 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -71.479 flat angles C4'-P-C4' energy: -82.844 flat angles P-C4'-P energy: -55.818 tors. eta vs tors. theta energy: -105.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1256.374126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.374126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.374126 (E_RNA) where: Base-Base interactions energy: -880.621 where: short stacking energy: -360.878 Base-Backbone interact. energy: -1.047 local terms energy: -374.705997 where: bonds (distance) C4'-P energy: -68.944 bonds (distance) P-C4' energy: -79.599 flat angles C4'-P-C4' energy: -71.167 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -104.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1205.187910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.187910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.187910 (E_RNA) where: Base-Base interactions energy: -855.776 where: short stacking energy: -335.917 Base-Backbone interact. energy: -0.929 local terms energy: -348.483500 where: bonds (distance) C4'-P energy: -67.559 bonds (distance) P-C4' energy: -69.423 flat angles C4'-P-C4' energy: -69.372 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -87.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1170.898683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.898683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.898683 (E_RNA) where: Base-Base interactions energy: -807.593 where: short stacking energy: -360.410 Base-Backbone interact. energy: -2.959 local terms energy: -360.347068 where: bonds (distance) C4'-P energy: -58.277 bonds (distance) P-C4' energy: -68.410 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -60.341 tors. eta vs tors. theta energy: -103.625 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: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1107.565263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.565263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.565263 (E_RNA) where: Base-Base interactions energy: -768.754 where: short stacking energy: -326.348 Base-Backbone interact. energy: -0.817 local terms energy: -337.994803 where: bonds (distance) C4'-P energy: -61.469 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -96.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1050.296383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.296383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.296383 (E_RNA) where: Base-Base interactions energy: -710.496 where: short stacking energy: -316.789 Base-Backbone interact. energy: -0.093 local terms energy: -339.706766 where: bonds (distance) C4'-P energy: -66.250 bonds (distance) P-C4' energy: -64.507 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -53.866 tors. eta vs tors. theta energy: -89.085 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: 5 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -954.543683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.543683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.543683 (E_RNA) where: Base-Base interactions energy: -651.567 where: short stacking energy: -276.477 Base-Backbone interact. energy: -0.650 local terms energy: -302.326735 where: bonds (distance) C4'-P energy: -53.976 bonds (distance) P-C4' energy: -63.382 flat angles C4'-P-C4' energy: -71.823 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: -64.817 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: 6 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -862.745675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.745675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.745675 (E_RNA) where: Base-Base interactions energy: -578.219 where: short stacking energy: -242.528 Base-Backbone interact. energy: -2.169 local terms energy: -282.357447 where: bonds (distance) C4'-P energy: -63.926 bonds (distance) P-C4' energy: -67.582 flat angles C4'-P-C4' energy: -58.180 flat angles P-C4'-P energy: -34.408 tors. eta vs tors. theta energy: -58.262 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: 426 Temperature: 1.300000 Total energy: -786.313857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.313857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.313857 (E_RNA) where: Base-Base interactions energy: -509.802 where: short stacking energy: -234.668 Base-Backbone interact. energy: -1.227 local terms energy: -275.285110 where: bonds (distance) C4'-P energy: -49.013 bonds (distance) P-C4' energy: -62.994 flat angles C4'-P-C4' energy: -61.116 flat angles P-C4'-P energy: -39.524 tors. eta vs tors. theta energy: -62.637 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: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -444.294805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.294805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.294805 (E_RNA) where: Base-Base interactions energy: -232.722 where: short stacking energy: -127.945 Base-Backbone interact. energy: -0.568 local terms energy: -211.004669 where: bonds (distance) C4'-P energy: -49.256 bonds (distance) P-C4' energy: -64.217 flat angles C4'-P-C4' energy: -57.486 flat angles P-C4'-P energy: -32.184 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: 4 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1351.815588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.815588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.815588 (E_RNA) where: Base-Base interactions energy: -963.395 where: short stacking energy: -397.727 Base-Backbone interact. energy: -2.083 local terms energy: -386.337826 where: bonds (distance) C4'-P energy: -73.248 bonds (distance) P-C4' energy: -67.010 flat angles C4'-P-C4' energy: -71.512 flat angles P-C4'-P energy: -59.298 tors. eta vs tors. theta energy: -115.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1269.265983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.265983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.265983 (E_RNA) where: Base-Base interactions energy: -878.208 where: short stacking energy: -385.626 Base-Backbone interact. energy: 0.211 local terms energy: -391.269500 where: bonds (distance) C4'-P energy: -74.424 bonds (distance) P-C4' energy: -64.223 flat angles C4'-P-C4' energy: -83.629 flat angles P-C4'-P energy: -56.775 tors. eta vs tors. theta energy: -112.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1200.116314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.116314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.116314 (E_RNA) where: Base-Base interactions energy: -866.309 where: short stacking energy: -353.079 Base-Backbone interact. energy: -0.847 local terms energy: -332.960453 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -61.047 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -43.520 tors. eta vs tors. theta energy: -91.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1180.362793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.362793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.362793 (E_RNA) where: Base-Base interactions energy: -825.586 where: short stacking energy: -357.626 Base-Backbone interact. energy: -0.565 local terms energy: -354.211402 where: bonds (distance) C4'-P energy: -67.409 bonds (distance) P-C4' energy: -70.601 flat angles C4'-P-C4' energy: -83.612 flat angles P-C4'-P energy: -37.387 tors. eta vs tors. theta energy: -95.202 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: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1128.442884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.442884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.442884 (E_RNA) where: Base-Base interactions energy: -788.559 where: short stacking energy: -329.861 Base-Backbone interact. energy: 0.605 local terms energy: -340.488488 where: bonds (distance) C4'-P energy: -53.341 bonds (distance) P-C4' energy: -71.820 flat angles C4'-P-C4' energy: -72.464 flat angles P-C4'-P energy: -55.387 tors. eta vs tors. theta energy: -87.476 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: 10 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1053.064157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.064157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.064157 (E_RNA) where: Base-Base interactions energy: -720.412 where: short stacking energy: -328.622 Base-Backbone interact. energy: -0.594 local terms energy: -332.058327 where: bonds (distance) C4'-P energy: -58.730 bonds (distance) P-C4' energy: -57.988 flat angles C4'-P-C4' energy: -72.189 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -88.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -974.507495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.507495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.507495 (E_RNA) where: Base-Base interactions energy: -676.720 where: short stacking energy: -273.028 Base-Backbone interact. energy: -1.222 local terms energy: -296.565067 where: bonds (distance) C4'-P energy: -59.586 bonds (distance) P-C4' energy: -65.712 flat angles C4'-P-C4' energy: -61.694 flat angles P-C4'-P energy: -39.772 tors. eta vs tors. theta energy: -69.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -879.996461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.996461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.996461 (E_RNA) where: Base-Base interactions energy: -597.927 where: short stacking energy: -245.814 Base-Backbone interact. energy: -2.570 local terms energy: -279.499760 where: bonds (distance) C4'-P energy: -58.814 bonds (distance) P-C4' energy: -55.902 flat angles C4'-P-C4' energy: -55.887 flat angles P-C4'-P energy: -49.175 tors. eta vs tors. theta energy: -59.722 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: 3 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -797.114019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.114019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.114019 (E_RNA) where: Base-Base interactions energy: -510.264 where: short stacking energy: -247.058 Base-Backbone interact. energy: 3.044 local terms energy: -289.893712 where: bonds (distance) C4'-P energy: -56.640 bonds (distance) P-C4' energy: -65.814 flat angles C4'-P-C4' energy: -64.425 flat angles P-C4'-P energy: -39.359 tors. eta vs tors. theta energy: -63.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -440.631721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.631721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.631721 (E_RNA) where: Base-Base interactions energy: -226.886 where: short stacking energy: -142.195 Base-Backbone interact. energy: -0.882 local terms energy: -212.863507 where: bonds (distance) C4'-P energy: -63.610 bonds (distance) P-C4' energy: -63.234 flat angles C4'-P-C4' energy: -52.415 flat angles P-C4'-P energy: -29.980 tors. eta vs tors. theta energy: -3.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1334.909655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.909655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.909655 (E_RNA) where: Base-Base interactions energy: -948.377 where: short stacking energy: -385.551 Base-Backbone interact. energy: -0.307 local terms energy: -386.226211 where: bonds (distance) C4'-P energy: -63.534 bonds (distance) P-C4' energy: -76.736 flat angles C4'-P-C4' energy: -77.315 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -112.472 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: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1264.891879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.891879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.891879 (E_RNA) where: Base-Base interactions energy: -886.634 where: short stacking energy: -366.792 Base-Backbone interact. energy: -0.441 local terms energy: -377.817202 where: bonds (distance) C4'-P energy: -73.537 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -75.049 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -106.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1224.640258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.640258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.640258 (E_RNA) where: Base-Base interactions energy: -834.629 where: short stacking energy: -377.442 Base-Backbone interact. energy: -1.535 local terms energy: -388.476007 where: bonds (distance) C4'-P energy: -66.543 bonds (distance) P-C4' energy: -68.648 flat angles C4'-P-C4' energy: -89.213 flat angles P-C4'-P energy: -62.225 tors. eta vs tors. theta energy: -101.847 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: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1159.066680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.066680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.066680 (E_RNA) where: Base-Base interactions energy: -818.104 where: short stacking energy: -318.473 Base-Backbone interact. energy: -0.692 local terms energy: -340.270701 where: bonds (distance) C4'-P energy: -66.110 bonds (distance) P-C4' energy: -69.698 flat angles C4'-P-C4' energy: -71.198 flat angles P-C4'-P energy: -60.444 tors. eta vs tors. theta energy: -72.821 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: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1131.546903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.546903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.546903 (E_RNA) where: Base-Base interactions energy: -788.326 where: short stacking energy: -337.814 Base-Backbone interact. energy: 1.437 local terms energy: -344.658664 where: bonds (distance) C4'-P energy: -69.852 bonds (distance) P-C4' energy: -63.516 flat angles C4'-P-C4' energy: -79.522 flat angles P-C4'-P energy: -42.712 tors. eta vs tors. theta energy: -89.056 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: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1083.883008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.883008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.883008 (E_RNA) where: Base-Base interactions energy: -753.166 where: short stacking energy: -318.332 Base-Backbone interact. energy: -1.928 local terms energy: -328.788816 where: bonds (distance) C4'-P energy: -59.803 bonds (distance) P-C4' energy: -63.883 flat angles C4'-P-C4' energy: -66.346 flat angles P-C4'-P energy: -43.741 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: 7, replica: 5 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -972.909315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.909315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.909315 (E_RNA) where: Base-Base interactions energy: -688.380 where: short stacking energy: -293.363 Base-Backbone interact. energy: 0.037 local terms energy: -284.566619 where: bonds (distance) C4'-P energy: -57.872 bonds (distance) P-C4' energy: -61.873 flat angles C4'-P-C4' energy: -63.030 flat angles P-C4'-P energy: -34.670 tors. eta vs tors. theta energy: -67.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -873.361257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.361257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.361257 (E_RNA) where: Base-Base interactions energy: -593.541 where: short stacking energy: -253.150 Base-Backbone interact. energy: -1.407 local terms energy: -278.414015 where: bonds (distance) C4'-P energy: -51.897 bonds (distance) P-C4' energy: -59.341 flat angles C4'-P-C4' energy: -64.480 flat angles P-C4'-P energy: -37.979 tors. eta vs tors. theta energy: -64.717 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: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -779.543343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.543343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.543343 (E_RNA) where: Base-Base interactions energy: -522.381 where: short stacking energy: -223.290 Base-Backbone interact. energy: -0.062 local terms energy: -257.100495 where: bonds (distance) C4'-P energy: -48.450 bonds (distance) P-C4' energy: -54.727 flat angles C4'-P-C4' energy: -65.179 flat angles P-C4'-P energy: -34.769 tors. eta vs tors. theta energy: -53.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -462.986532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.986532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.986532 (E_RNA) where: Base-Base interactions energy: -274.135 where: short stacking energy: -141.535 Base-Backbone interact. energy: -0.304 local terms energy: -188.547830 where: bonds (distance) C4'-P energy: -53.796 bonds (distance) P-C4' energy: -34.972 flat angles C4'-P-C4' energy: -48.911 flat angles P-C4'-P energy: -35.553 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1332.384748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.384748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.384748 (E_RNA) where: Base-Base interactions energy: -948.026 where: short stacking energy: -408.519 Base-Backbone interact. energy: -1.872 local terms energy: -382.486386 where: bonds (distance) C4'-P energy: -69.691 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -79.509 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -111.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1263.747590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.747590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.747590 (E_RNA) where: Base-Base interactions energy: -887.149 where: short stacking energy: -381.750 Base-Backbone interact. energy: -1.109 local terms energy: -375.490064 where: bonds (distance) C4'-P energy: -67.756 bonds (distance) P-C4' energy: -69.099 flat angles C4'-P-C4' energy: -78.771 flat angles P-C4'-P energy: -58.236 tors. eta vs tors. theta energy: -101.628 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: 3, replica: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1209.768880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.768880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.768880 (E_RNA) where: Base-Base interactions energy: -835.843 where: short stacking energy: -375.388 Base-Backbone interact. energy: -0.934 local terms energy: -372.992267 where: bonds (distance) C4'-P energy: -65.873 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -79.508 flat angles P-C4'-P energy: -61.605 tors. eta vs tors. theta energy: -100.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1163.384312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.384312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.384312 (E_RNA) where: Base-Base interactions energy: -835.685 where: short stacking energy: -332.723 Base-Backbone interact. energy: 0.744 local terms energy: -328.442995 where: bonds (distance) C4'-P energy: -58.987 bonds (distance) P-C4' energy: -62.343 flat angles C4'-P-C4' energy: -86.459 flat angles P-C4'-P energy: -35.530 tors. eta vs tors. theta energy: -85.124 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: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1130.566518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.566518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.566518 (E_RNA) where: Base-Base interactions energy: -794.936 where: short stacking energy: -335.834 Base-Backbone interact. energy: 0.928 local terms energy: -336.558924 where: bonds (distance) C4'-P energy: -59.537 bonds (distance) P-C4' energy: -57.295 flat angles C4'-P-C4' energy: -76.633 flat angles P-C4'-P energy: -53.176 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: 6, replica: 10 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1085.882233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.882233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.882233 (E_RNA) where: Base-Base interactions energy: -756.378 where: short stacking energy: -324.690 Base-Backbone interact. energy: 2.495 local terms energy: -331.999489 where: bonds (distance) C4'-P energy: -65.944 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -75.409 flat angles P-C4'-P energy: -45.671 tors. eta vs tors. theta energy: -85.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -965.722299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.722299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.722299 (E_RNA) where: Base-Base interactions energy: -655.620 where: short stacking energy: -286.874 Base-Backbone interact. energy: 2.967 local terms energy: -313.069540 where: bonds (distance) C4'-P energy: -59.828 bonds (distance) P-C4' energy: -62.984 flat angles C4'-P-C4' energy: -67.216 flat angles P-C4'-P energy: -38.163 tors. eta vs tors. theta energy: -84.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -890.358928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.358928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.358928 (E_RNA) where: Base-Base interactions energy: -617.587 where: short stacking energy: -265.317 Base-Backbone interact. energy: -0.035 local terms energy: -272.737021 where: bonds (distance) C4'-P energy: -47.858 bonds (distance) P-C4' energy: -61.557 flat angles C4'-P-C4' energy: -73.497 flat angles P-C4'-P energy: -31.787 tors. eta vs tors. theta energy: -58.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -764.108477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.108477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.108477 (E_RNA) where: Base-Base interactions energy: -507.566 where: short stacking energy: -248.470 Base-Backbone interact. energy: -1.689 local terms energy: -254.853311 where: bonds (distance) C4'-P energy: -50.333 bonds (distance) P-C4' energy: -59.171 flat angles C4'-P-C4' energy: -66.396 flat angles P-C4'-P energy: -22.086 tors. eta vs tors. theta energy: -56.867 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: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -473.012848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.012848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.012848 (E_RNA) where: Base-Base interactions energy: -246.091 where: short stacking energy: -148.611 Base-Backbone interact. energy: -1.380 local terms energy: -225.541312 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -65.997 flat angles C4'-P-C4' energy: -44.483 flat angles P-C4'-P energy: -30.647 tors. eta vs tors. theta energy: -21.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1272.944105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.944105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.944105 (E_RNA) where: Base-Base interactions energy: -908.381 where: short stacking energy: -389.214 Base-Backbone interact. energy: -1.232 local terms energy: -363.331540 where: bonds (distance) C4'-P energy: -63.258 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -76.810 flat angles P-C4'-P energy: -45.338 tors. eta vs tors. theta energy: -105.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1315.669495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.669495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.669495 (E_RNA) where: Base-Base interactions energy: -933.480 where: short stacking energy: -378.885 Base-Backbone interact. energy: -1.947 local terms energy: -380.241527 where: bonds (distance) C4'-P energy: -67.825 bonds (distance) P-C4' energy: -68.127 flat angles C4'-P-C4' energy: -78.381 flat angles P-C4'-P energy: -59.693 tors. eta vs tors. theta energy: -106.216 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: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1218.306488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.306488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.306488 (E_RNA) where: Base-Base interactions energy: -840.274 where: short stacking energy: -362.818 Base-Backbone interact. energy: -0.495 local terms energy: -377.536963 where: bonds (distance) C4'-P energy: -60.065 bonds (distance) P-C4' energy: -73.441 flat angles C4'-P-C4' energy: -87.241 flat angles P-C4'-P energy: -51.471 tors. eta vs tors. theta energy: -105.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1159.771848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.771848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.771848 (E_RNA) where: Base-Base interactions energy: -825.071 where: short stacking energy: -321.608 Base-Backbone interact. energy: -1.337 local terms energy: -333.363567 where: bonds (distance) C4'-P energy: -63.270 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -77.974 flat angles P-C4'-P energy: -45.649 tors. eta vs tors. theta energy: -81.846 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: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1130.678382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.678382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.678382 (E_RNA) where: Base-Base interactions energy: -786.583 where: short stacking energy: -331.814 Base-Backbone interact. energy: 6.141 local terms energy: -350.236742 where: bonds (distance) C4'-P energy: -62.911 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -68.570 flat angles P-C4'-P energy: -55.592 tors. eta vs tors. theta energy: -99.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1082.147949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.147949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.147949 (E_RNA) where: Base-Base interactions energy: -733.811 where: short stacking energy: -323.845 Base-Backbone interact. energy: -0.350 local terms energy: -347.986707 where: bonds (distance) C4'-P energy: -56.105 bonds (distance) P-C4' energy: -74.278 flat angles C4'-P-C4' energy: -80.251 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -81.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -941.439819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.439819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.439819 (E_RNA) where: Base-Base interactions energy: -665.736 where: short stacking energy: -275.925 Base-Backbone interact. energy: 0.471 local terms energy: -276.174918 where: bonds (distance) C4'-P energy: -51.168 bonds (distance) P-C4' energy: -54.247 flat angles C4'-P-C4' energy: -55.851 flat angles P-C4'-P energy: -44.422 tors. eta vs tors. theta energy: -70.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -915.008611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.008611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.008611 (E_RNA) where: Base-Base interactions energy: -624.048 where: short stacking energy: -266.647 Base-Backbone interact. energy: -1.377 local terms energy: -289.583596 where: bonds (distance) C4'-P energy: -47.949 bonds (distance) P-C4' energy: -60.003 flat angles C4'-P-C4' energy: -62.245 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -69.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -743.818876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.818876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.818876 (E_RNA) where: Base-Base interactions energy: -482.663 where: short stacking energy: -213.176 Base-Backbone interact. energy: -1.543 local terms energy: -259.612975 where: bonds (distance) C4'-P energy: -66.371 bonds (distance) P-C4' energy: -54.965 flat angles C4'-P-C4' energy: -59.469 flat angles P-C4'-P energy: -35.935 tors. eta vs tors. theta energy: -42.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -438.188746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.188746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.188746 (E_RNA) where: Base-Base interactions energy: -221.082 where: short stacking energy: -146.748 Base-Backbone interact. energy: -3.014 local terms energy: -214.092858 where: bonds (distance) C4'-P energy: -64.990 bonds (distance) P-C4' energy: -68.062 flat angles C4'-P-C4' energy: -47.705 flat angles P-C4'-P energy: -23.372 tors. eta vs tors. theta energy: -9.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1288.933365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.933365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.933365 (E_RNA) where: Base-Base interactions energy: -898.001 where: short stacking energy: -392.034 Base-Backbone interact. energy: 0.615 local terms energy: -391.547004 where: bonds (distance) C4'-P energy: -75.541 bonds (distance) P-C4' energy: -66.204 flat angles C4'-P-C4' energy: -78.903 flat angles P-C4'-P energy: -62.291 tors. eta vs tors. theta energy: -108.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1328.738013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.738013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.738013 (E_RNA) where: Base-Base interactions energy: -941.520 where: short stacking energy: -383.994 Base-Backbone interact. energy: -0.961 local terms energy: -386.257487 where: bonds (distance) C4'-P energy: -64.308 bonds (distance) P-C4' energy: -68.113 flat angles C4'-P-C4' energy: -79.770 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: -118.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1200.981448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.981448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.981448 (E_RNA) where: Base-Base interactions energy: -823.236 where: short stacking energy: -356.664 Base-Backbone interact. energy: -1.871 local terms energy: -375.873904 where: bonds (distance) C4'-P energy: -67.569 bonds (distance) P-C4' energy: -65.610 flat angles C4'-P-C4' energy: -79.908 flat angles P-C4'-P energy: -55.222 tors. eta vs tors. theta energy: -107.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1187.007230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.007230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.007230 (E_RNA) where: Base-Base interactions energy: -821.673 where: short stacking energy: -346.275 Base-Backbone interact. energy: 0.061 local terms energy: -365.395670 where: bonds (distance) C4'-P energy: -68.830 bonds (distance) P-C4' energy: -71.344 flat angles C4'-P-C4' energy: -76.774 flat angles P-C4'-P energy: -53.313 tors. eta vs tors. theta energy: -95.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1124.254428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.254428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.254428 (E_RNA) where: Base-Base interactions energy: -766.939 where: short stacking energy: -305.717 Base-Backbone interact. energy: 0.461 local terms energy: -357.776540 where: bonds (distance) C4'-P energy: -58.688 bonds (distance) P-C4' energy: -74.888 flat angles C4'-P-C4' energy: -82.962 flat angles P-C4'-P energy: -46.849 tors. eta vs tors. theta energy: -94.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1097.128738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.128738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.128738 (E_RNA) where: Base-Base interactions energy: -757.431 where: short stacking energy: -332.763 Base-Backbone interact. energy: -1.269 local terms energy: -338.428882 where: bonds (distance) C4'-P energy: -65.876 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -72.196 flat angles P-C4'-P energy: -51.467 tors. eta vs tors. theta energy: -83.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -967.490210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.490210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.490210 (E_RNA) where: Base-Base interactions energy: -694.193 where: short stacking energy: -287.870 Base-Backbone interact. energy: 0.874 local terms energy: -274.172100 where: bonds (distance) C4'-P energy: -47.910 bonds (distance) P-C4' energy: -48.216 flat angles C4'-P-C4' energy: -74.949 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: -65.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -897.668188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.668188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.668188 (E_RNA) where: Base-Base interactions energy: -598.158 where: short stacking energy: -268.913 Base-Backbone interact. energy: -1.319 local terms energy: -298.190680 where: bonds (distance) C4'-P energy: -61.813 bonds (distance) P-C4' energy: -70.140 flat angles C4'-P-C4' energy: -67.611 flat angles P-C4'-P energy: -27.493 tors. eta vs tors. theta energy: -71.134 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: 431 Temperature: 1.300000 Total energy: -777.933299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.933299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.933299 (E_RNA) where: Base-Base interactions energy: -522.135 where: short stacking energy: -231.392 Base-Backbone interact. energy: -0.242 local terms energy: -255.556681 where: bonds (distance) C4'-P energy: -51.137 bonds (distance) P-C4' energy: -62.676 flat angles C4'-P-C4' energy: -56.111 flat angles P-C4'-P energy: -30.910 tors. eta vs tors. theta energy: -54.724 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: 10, replica: 2 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -453.257317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.257317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.257317 (E_RNA) where: Base-Base interactions energy: -248.721 where: short stacking energy: -133.716 Base-Backbone interact. energy: 0.981 local terms energy: -205.517288 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -64.774 flat angles C4'-P-C4' energy: -46.697 flat angles P-C4'-P energy: -24.993 tors. eta vs tors. theta energy: -10.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1356.531011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.531011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.531011 (E_RNA) where: Base-Base interactions energy: -965.910 where: short stacking energy: -398.587 Base-Backbone interact. energy: -1.360 local terms energy: -389.260643 where: bonds (distance) C4'-P energy: -67.172 bonds (distance) P-C4' energy: -78.677 flat angles C4'-P-C4' energy: -80.997 flat angles P-C4'-P energy: -51.707 tors. eta vs tors. theta energy: -110.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1274.181044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.181044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.181044 (E_RNA) where: Base-Base interactions energy: -904.029 where: short stacking energy: -389.994 Base-Backbone interact. energy: -0.583 local terms energy: -369.568425 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -69.793 flat angles C4'-P-C4' energy: -79.469 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -104.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1218.651749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.651749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.651749 (E_RNA) where: Base-Base interactions energy: -846.273 where: short stacking energy: -353.556 Base-Backbone interact. energy: 0.208 local terms energy: -372.586927 where: bonds (distance) C4'-P energy: -70.943 bonds (distance) P-C4' energy: -72.943 flat angles C4'-P-C4' energy: -78.863 flat angles P-C4'-P energy: -57.723 tors. eta vs tors. theta energy: -92.115 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: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1175.653915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.653915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.653915 (E_RNA) where: Base-Base interactions energy: -826.450 where: short stacking energy: -378.145 Base-Backbone interact. energy: -0.290 local terms energy: -348.913764 where: bonds (distance) C4'-P energy: -56.051 bonds (distance) P-C4' energy: -51.862 flat angles C4'-P-C4' energy: -76.658 flat angles P-C4'-P energy: -55.846 tors. eta vs tors. theta energy: -108.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1135.614943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.614943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.614943 (E_RNA) where: Base-Base interactions energy: -788.660 where: short stacking energy: -333.297 Base-Backbone interact. energy: -1.564 local terms energy: -345.391155 where: bonds (distance) C4'-P energy: -70.996 bonds (distance) P-C4' energy: -62.853 flat angles C4'-P-C4' energy: -76.652 flat angles P-C4'-P energy: -40.429 tors. eta vs tors. theta energy: -94.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1089.337270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.337270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.337270 (E_RNA) where: Base-Base interactions energy: -765.637 where: short stacking energy: -324.179 Base-Backbone interact. energy: 1.378 local terms energy: -325.077896 where: bonds (distance) C4'-P energy: -61.605 bonds (distance) P-C4' energy: -49.920 flat angles C4'-P-C4' energy: -80.637 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: -93.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -982.846007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.846007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.846007 (E_RNA) where: Base-Base interactions energy: -671.577 where: short stacking energy: -279.819 Base-Backbone interact. energy: -0.537 local terms energy: -310.732740 where: bonds (distance) C4'-P energy: -54.620 bonds (distance) P-C4' energy: -61.165 flat angles C4'-P-C4' energy: -73.125 flat angles P-C4'-P energy: -47.006 tors. eta vs tors. theta energy: -74.817 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: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -830.279492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.279492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.279492 (E_RNA) where: Base-Base interactions energy: -565.867 where: short stacking energy: -246.598 Base-Backbone interact. energy: -1.702 local terms energy: -262.710566 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -56.389 flat angles C4'-P-C4' energy: -61.888 flat angles P-C4'-P energy: -32.719 tors. eta vs tors. theta energy: -51.776 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: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -759.529496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.529496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.529496 (E_RNA) where: Base-Base interactions energy: -474.740 where: short stacking energy: -214.295 Base-Backbone interact. energy: -1.986 local terms energy: -282.803057 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -65.858 flat angles C4'-P-C4' energy: -52.498 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -54.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -467.402053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.402053 (E_RNA) where: Base-Base interactions energy: -258.664 where: short stacking energy: -143.362 Base-Backbone interact. energy: -1.392 local terms energy: -207.346662 where: bonds (distance) C4'-P energy: -47.208 bonds (distance) P-C4' energy: -48.987 flat angles C4'-P-C4' energy: -48.236 flat angles P-C4'-P energy: -46.634 tors. eta vs tors. theta energy: -16.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1343.202336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.202336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.202336 (E_RNA) where: Base-Base interactions energy: -956.107 where: short stacking energy: -398.749 Base-Backbone interact. energy: -1.337 local terms energy: -385.757850 where: bonds (distance) C4'-P energy: -74.461 bonds (distance) P-C4' energy: -66.642 flat angles C4'-P-C4' energy: -79.750 flat angles P-C4'-P energy: -56.154 tors. eta vs tors. theta energy: -108.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1261.579297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.579297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.579297 (E_RNA) where: Base-Base interactions energy: -873.727 where: short stacking energy: -367.999 Base-Backbone interact. energy: -0.981 local terms energy: -386.871738 where: bonds (distance) C4'-P energy: -66.980 bonds (distance) P-C4' energy: -78.590 flat angles C4'-P-C4' energy: -73.044 flat angles P-C4'-P energy: -57.786 tors. eta vs tors. theta energy: -110.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1207.022696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.022696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.022696 (E_RNA) where: Base-Base interactions energy: -871.328 where: short stacking energy: -360.897 Base-Backbone interact. energy: -0.834 local terms energy: -334.860452 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -68.157 flat angles C4'-P-C4' energy: -69.801 flat angles P-C4'-P energy: -50.956 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: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1150.375270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.375270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.375270 (E_RNA) where: Base-Base interactions energy: -798.047 where: short stacking energy: -345.924 Base-Backbone interact. energy: -0.314 local terms energy: -352.014000 where: bonds (distance) C4'-P energy: -66.758 bonds (distance) P-C4' energy: -56.603 flat angles C4'-P-C4' energy: -81.397 flat angles P-C4'-P energy: -50.774 tors. eta vs tors. theta energy: -96.482 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: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1123.990989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.990989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.990989 (E_RNA) where: Base-Base interactions energy: -788.574 where: short stacking energy: -350.466 Base-Backbone interact. energy: -1.365 local terms energy: -334.052368 where: bonds (distance) C4'-P energy: -54.016 bonds (distance) P-C4' energy: -64.186 flat angles C4'-P-C4' energy: -71.040 flat angles P-C4'-P energy: -50.819 tors. eta vs tors. theta energy: -93.992 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: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1095.249720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.249720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.249720 (E_RNA) where: Base-Base interactions energy: -748.682 where: short stacking energy: -320.749 Base-Backbone interact. energy: -0.715 local terms energy: -345.853355 where: bonds (distance) C4'-P energy: -60.152 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -78.128 flat angles P-C4'-P energy: -49.052 tors. eta vs tors. theta energy: -92.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -945.908839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.908839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.908839 (E_RNA) where: Base-Base interactions energy: -663.285 where: short stacking energy: -278.528 Base-Backbone interact. energy: -2.130 local terms energy: -280.494106 where: bonds (distance) C4'-P energy: -53.357 bonds (distance) P-C4' energy: -67.022 flat angles C4'-P-C4' energy: -55.636 flat angles P-C4'-P energy: -43.572 tors. eta vs tors. theta energy: -60.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -807.017151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.017151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.017151 (E_RNA) where: Base-Base interactions energy: -543.322 where: short stacking energy: -234.382 Base-Backbone interact. energy: 1.717 local terms energy: -265.411979 where: bonds (distance) C4'-P energy: -46.756 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -65.310 flat angles P-C4'-P energy: -44.607 tors. eta vs tors. theta energy: -46.885 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: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -788.252816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.252816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.252816 (E_RNA) where: Base-Base interactions energy: -522.085 where: short stacking energy: -223.804 Base-Backbone interact. energy: -1.261 local terms energy: -264.907109 where: bonds (distance) C4'-P energy: -55.259 bonds (distance) P-C4' energy: -63.448 flat angles C4'-P-C4' energy: -59.491 flat angles P-C4'-P energy: -34.481 tors. eta vs tors. theta energy: -52.228 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: 433 Temperature: 1.350000 Total energy: -452.222118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.222118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.222118 (E_RNA) where: Base-Base interactions energy: -254.585 where: short stacking energy: -116.761 Base-Backbone interact. energy: 2.571 local terms energy: -200.207869 where: bonds (distance) C4'-P energy: -55.329 bonds (distance) P-C4' energy: -54.188 flat angles C4'-P-C4' energy: -58.471 flat angles P-C4'-P energy: -34.369 tors. eta vs tors. theta energy: 2.149 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: 4 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1355.240099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.240099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.240099 (E_RNA) where: Base-Base interactions energy: -959.719 where: short stacking energy: -403.720 Base-Backbone interact. energy: -1.878 local terms energy: -393.642729 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -69.300 flat angles C4'-P-C4' energy: -78.836 flat angles P-C4'-P energy: -56.936 tors. eta vs tors. theta energy: -116.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1280.656630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.656630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.656630 (E_RNA) where: Base-Base interactions energy: -889.688 where: short stacking energy: -365.755 Base-Backbone interact. energy: -0.950 local terms energy: -390.017875 where: bonds (distance) C4'-P energy: -76.948 bonds (distance) P-C4' energy: -80.308 flat angles C4'-P-C4' energy: -76.838 flat angles P-C4'-P energy: -55.130 tors. eta vs tors. theta energy: -100.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1217.101542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.101542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.101542 (E_RNA) where: Base-Base interactions energy: -857.007 where: short stacking energy: -343.173 Base-Backbone interact. energy: -0.957 local terms energy: -359.138386 where: bonds (distance) C4'-P energy: -66.244 bonds (distance) P-C4' energy: -76.795 flat angles C4'-P-C4' energy: -80.781 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -93.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1149.369594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.369594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.369594 (E_RNA) where: Base-Base interactions energy: -796.227 where: short stacking energy: -336.786 Base-Backbone interact. energy: -0.742 local terms energy: -352.401315 where: bonds (distance) C4'-P energy: -72.190 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -72.152 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -97.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1123.892293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.892293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.892293 (E_RNA) where: Base-Base interactions energy: -780.299 where: short stacking energy: -342.317 Base-Backbone interact. energy: -0.953 local terms energy: -342.640635 where: bonds (distance) C4'-P energy: -61.593 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -74.159 flat angles P-C4'-P energy: -53.585 tors. eta vs tors. theta energy: -91.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1092.440025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.440025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.440025 (E_RNA) where: Base-Base interactions energy: -775.116 where: short stacking energy: -342.961 Base-Backbone interact. energy: -1.538 local terms energy: -315.785907 where: bonds (distance) C4'-P energy: -54.659 bonds (distance) P-C4' energy: -60.581 flat angles C4'-P-C4' energy: -72.339 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -85.534 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: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -960.521890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.521890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.521890 (E_RNA) where: Base-Base interactions energy: -678.645 where: short stacking energy: -272.953 Base-Backbone interact. energy: -0.076 local terms energy: -281.800074 where: bonds (distance) C4'-P energy: -49.399 bonds (distance) P-C4' energy: -61.202 flat angles C4'-P-C4' energy: -68.120 flat angles P-C4'-P energy: -40.805 tors. eta vs tors. theta energy: -62.274 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: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -841.043796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.043796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.043796 (E_RNA) where: Base-Base interactions energy: -570.596 where: short stacking energy: -241.128 Base-Backbone interact. energy: -1.614 local terms energy: -268.833118 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -56.696 flat angles C4'-P-C4' energy: -67.300 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -49.426 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: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -788.263645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.263645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.263645 (E_RNA) where: Base-Base interactions energy: -521.991 where: short stacking energy: -239.238 Base-Backbone interact. energy: 2.706 local terms energy: -268.978607 where: bonds (distance) C4'-P energy: -57.881 bonds (distance) P-C4' energy: -56.990 flat angles C4'-P-C4' energy: -59.560 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -52.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -451.708644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.708644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.708644 (E_RNA) where: Base-Base interactions energy: -249.295 where: short stacking energy: -140.098 Base-Backbone interact. energy: -0.904 local terms energy: -201.509977 where: bonds (distance) C4'-P energy: -45.871 bonds (distance) P-C4' energy: -57.043 flat angles C4'-P-C4' energy: -45.663 flat angles P-C4'-P energy: -35.799 tors. eta vs tors. theta energy: -17.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1358.287904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.287904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.287904 (E_RNA) where: Base-Base interactions energy: -968.925 where: short stacking energy: -389.828 Base-Backbone interact. energy: -2.086 local terms energy: -387.276688 where: bonds (distance) C4'-P energy: -68.803 bonds (distance) P-C4' energy: -61.233 flat angles C4'-P-C4' energy: -83.463 flat angles P-C4'-P energy: -51.501 tors. eta vs tors. theta energy: -122.278 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: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1257.367406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.367406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.367406 (E_RNA) where: Base-Base interactions energy: -872.381 where: short stacking energy: -369.116 Base-Backbone interact. energy: -0.931 local terms energy: -384.055821 where: bonds (distance) C4'-P energy: -70.687 bonds (distance) P-C4' energy: -72.038 flat angles C4'-P-C4' energy: -75.688 flat angles P-C4'-P energy: -55.856 tors. eta vs tors. theta energy: -109.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1212.050802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.050802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.050802 (E_RNA) where: Base-Base interactions energy: -868.982 where: short stacking energy: -350.165 Base-Backbone interact. energy: -0.694 local terms energy: -342.374637 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -61.003 flat angles C4'-P-C4' energy: -84.676 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -96.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1167.586928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.586928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.586928 (E_RNA) where: Base-Base interactions energy: -792.006 where: short stacking energy: -357.330 Base-Backbone interact. energy: -0.680 local terms energy: -374.900752 where: bonds (distance) C4'-P energy: -62.143 bonds (distance) P-C4' energy: -69.156 flat angles C4'-P-C4' energy: -81.699 flat angles P-C4'-P energy: -55.050 tors. eta vs tors. theta energy: -106.853 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: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1107.987996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.987996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.987996 (E_RNA) where: Base-Base interactions energy: -774.613 where: short stacking energy: -339.658 Base-Backbone interact. energy: -1.862 local terms energy: -331.513277 where: bonds (distance) C4'-P energy: -61.107 bonds (distance) P-C4' energy: -54.039 flat angles C4'-P-C4' energy: -76.024 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: -91.623 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: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1111.234260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.234260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.234260 (E_RNA) where: Base-Base interactions energy: -771.999 where: short stacking energy: -338.069 Base-Backbone interact. energy: -1.040 local terms energy: -338.195130 where: bonds (distance) C4'-P energy: -59.353 bonds (distance) P-C4' energy: -70.197 flat angles C4'-P-C4' energy: -68.322 flat angles P-C4'-P energy: -44.964 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: 7, replica: 5 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -936.128434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.128434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.128434 (E_RNA) where: Base-Base interactions energy: -649.360 where: short stacking energy: -264.861 Base-Backbone interact. energy: 1.049 local terms energy: -287.817053 where: bonds (distance) C4'-P energy: -65.326 bonds (distance) P-C4' energy: -63.897 flat angles C4'-P-C4' energy: -58.254 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -54.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -853.564348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.564348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.564348 (E_RNA) where: Base-Base interactions energy: -599.546 where: short stacking energy: -264.366 Base-Backbone interact. energy: -1.048 local terms energy: -252.970563 where: bonds (distance) C4'-P energy: -42.314 bonds (distance) P-C4' energy: -61.979 flat angles C4'-P-C4' energy: -59.961 flat angles P-C4'-P energy: -29.514 tors. eta vs tors. theta energy: -59.203 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: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -778.160366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.160366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.160366 (E_RNA) where: Base-Base interactions energy: -501.380 where: short stacking energy: -222.863 Base-Backbone interact. energy: -0.695 local terms energy: -276.085529 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -55.063 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -44.377 tors. eta vs tors. theta energy: -59.071 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: 10, replica: 2 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -432.944748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.944748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.944748 (E_RNA) where: Base-Base interactions energy: -228.421 where: short stacking energy: -130.464 Base-Backbone interact. energy: 0.087 local terms energy: -204.611038 where: bonds (distance) C4'-P energy: -45.912 bonds (distance) P-C4' energy: -46.168 flat angles C4'-P-C4' energy: -60.570 flat angles P-C4'-P energy: -28.811 tors. eta vs tors. theta energy: -23.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1362.365697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.365697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.365697 (E_RNA) where: Base-Base interactions energy: -967.900 where: short stacking energy: -406.818 Base-Backbone interact. energy: -0.931 local terms energy: -393.534729 where: bonds (distance) C4'-P energy: -72.551 bonds (distance) P-C4' energy: -70.157 flat angles C4'-P-C4' energy: -83.301 flat angles P-C4'-P energy: -51.668 tors. eta vs tors. theta energy: -115.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1255.856690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.856690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.856690 (E_RNA) where: Base-Base interactions energy: -888.792 where: short stacking energy: -372.591 Base-Backbone interact. energy: 0.257 local terms energy: -367.322273 where: bonds (distance) C4'-P energy: -65.994 bonds (distance) P-C4' energy: -73.480 flat angles C4'-P-C4' energy: -69.921 flat angles P-C4'-P energy: -47.905 tors. eta vs tors. theta energy: -110.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1196.299757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.299757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.299757 (E_RNA) where: Base-Base interactions energy: -864.056 where: short stacking energy: -356.723 Base-Backbone interact. energy: 0.461 local terms energy: -332.705125 where: bonds (distance) C4'-P energy: -57.979 bonds (distance) P-C4' energy: -62.142 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -45.456 tors. eta vs tors. theta energy: -90.776 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: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1165.120533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.120533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.120533 (E_RNA) where: Base-Base interactions energy: -815.154 where: short stacking energy: -348.430 Base-Backbone interact. energy: -0.421 local terms energy: -349.545447 where: bonds (distance) C4'-P energy: -66.828 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -55.532 tors. eta vs tors. theta energy: -92.421 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: 1 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1096.872913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.872913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.872913 (E_RNA) where: Base-Base interactions energy: -766.091 where: short stacking energy: -340.273 Base-Backbone interact. energy: -0.973 local terms energy: -329.809293 where: bonds (distance) C4'-P energy: -60.912 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -70.365 flat angles P-C4'-P energy: -47.956 tors. eta vs tors. theta energy: -85.671 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: 436 Temperature: 1.150000 Total energy: -1085.323560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.323560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.323560 (E_RNA) where: Base-Base interactions energy: -763.347 where: short stacking energy: -307.716 Base-Backbone interact. energy: 0.407 local terms energy: -322.382918 where: bonds (distance) C4'-P energy: -58.490 bonds (distance) P-C4' energy: -73.090 flat angles C4'-P-C4' energy: -61.519 flat angles P-C4'-P energy: -43.834 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: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -875.265405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.265405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.265405 (E_RNA) where: Base-Base interactions energy: -578.118 where: short stacking energy: -254.320 Base-Backbone interact. energy: -2.487 local terms energy: -294.660333 where: bonds (distance) C4'-P energy: -59.539 bonds (distance) P-C4' energy: -64.017 flat angles C4'-P-C4' energy: -73.813 flat angles P-C4'-P energy: -36.556 tors. eta vs tors. theta energy: -60.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -924.161853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.161853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.161853 (E_RNA) where: Base-Base interactions energy: -628.301 where: short stacking energy: -258.442 Base-Backbone interact. energy: 1.178 local terms energy: -297.038863 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -61.949 flat angles P-C4'-P energy: -44.319 tors. eta vs tors. theta energy: -67.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -801.145704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.145704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.145704 (E_RNA) where: Base-Base interactions energy: -537.771 where: short stacking energy: -239.210 Base-Backbone interact. energy: -1.846 local terms energy: -261.528543 where: bonds (distance) C4'-P energy: -60.703 bonds (distance) P-C4' energy: -50.299 flat angles C4'-P-C4' energy: -61.986 flat angles P-C4'-P energy: -30.660 tors. eta vs tors. theta energy: -57.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -417.579993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.579993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.579993 (E_RNA) where: Base-Base interactions energy: -224.744 where: short stacking energy: -123.745 Base-Backbone interact. energy: -1.264 local terms energy: -191.571917 where: bonds (distance) C4'-P energy: -53.902 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -48.342 flat angles P-C4'-P energy: -29.688 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1339.240789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.240789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.240789 (E_RNA) where: Base-Base interactions energy: -952.390 where: short stacking energy: -398.780 Base-Backbone interact. energy: -1.678 local terms energy: -385.172450 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -76.116 flat angles C4'-P-C4' energy: -83.672 flat angles P-C4'-P energy: -55.969 tors. eta vs tors. theta energy: -113.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1284.377970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.377970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.377970 (E_RNA) where: Base-Base interactions energy: -888.516 where: short stacking energy: -371.824 Base-Backbone interact. energy: -0.760 local terms energy: -395.102323 where: bonds (distance) C4'-P energy: -68.366 bonds (distance) P-C4' energy: -74.776 flat angles C4'-P-C4' energy: -84.014 flat angles P-C4'-P energy: -56.199 tors. eta vs tors. theta energy: -111.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1207.845032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.845032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.845032 (E_RNA) where: Base-Base interactions energy: -853.404 where: short stacking energy: -354.333 Base-Backbone interact. energy: -0.517 local terms energy: -353.923823 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -73.570 flat angles C4'-P-C4' energy: -80.592 flat angles P-C4'-P energy: -48.709 tors. eta vs tors. theta energy: -93.372 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: 10 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1136.985920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.985920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.985920 (E_RNA) where: Base-Base interactions energy: -810.285 where: short stacking energy: -352.510 Base-Backbone interact. energy: -0.326 local terms energy: -326.375568 where: bonds (distance) C4'-P energy: -56.690 bonds (distance) P-C4' energy: -59.362 flat angles C4'-P-C4' energy: -74.914 flat angles P-C4'-P energy: -47.676 tors. eta vs tors. theta energy: -87.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1112.432252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.432252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.432252 (E_RNA) where: Base-Base interactions energy: -787.857 where: short stacking energy: -347.272 Base-Backbone interact. energy: -3.668 local terms energy: -320.907012 where: bonds (distance) C4'-P energy: -47.336 bonds (distance) P-C4' energy: -68.974 flat angles C4'-P-C4' energy: -68.190 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -85.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1082.563835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.563835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.563835 (E_RNA) where: Base-Base interactions energy: -777.081 where: short stacking energy: -317.668 Base-Backbone interact. energy: 1.584 local terms energy: -307.067178 where: bonds (distance) C4'-P energy: -47.341 bonds (distance) P-C4' energy: -62.105 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -43.848 tors. eta vs tors. theta energy: -85.154 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: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -862.002828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.002828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.002828 (E_RNA) where: Base-Base interactions energy: -589.514 where: short stacking energy: -260.356 Base-Backbone interact. energy: -1.056 local terms energy: -271.433441 where: bonds (distance) C4'-P energy: -66.811 bonds (distance) P-C4' energy: -60.496 flat angles C4'-P-C4' energy: -62.229 flat angles P-C4'-P energy: -32.709 tors. eta vs tors. theta energy: -49.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -932.138701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.138701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.138701 (E_RNA) where: Base-Base interactions energy: -662.920 where: short stacking energy: -283.385 Base-Backbone interact. energy: -0.127 local terms energy: -269.091942 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -54.099 flat angles C4'-P-C4' energy: -56.233 flat angles P-C4'-P energy: -26.030 tors. eta vs tors. theta energy: -69.686 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: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -710.927004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.927004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.927004 (E_RNA) where: Base-Base interactions energy: -464.795 where: short stacking energy: -215.966 Base-Backbone interact. energy: -0.675 local terms energy: -245.456988 where: bonds (distance) C4'-P energy: -44.267 bonds (distance) P-C4' energy: -48.654 flat angles C4'-P-C4' energy: -59.428 flat angles P-C4'-P energy: -46.529 tors. eta vs tors. theta energy: -46.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -431.750744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.750744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.750744 (E_RNA) where: Base-Base interactions energy: -228.073 where: short stacking energy: -125.401 Base-Backbone interact. energy: 0.157 local terms energy: -203.834920 where: bonds (distance) C4'-P energy: -57.572 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -56.640 flat angles P-C4'-P energy: -22.877 tors. eta vs tors. theta energy: -9.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1348.623706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.623706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.623706 (E_RNA) where: Base-Base interactions energy: -952.706 where: short stacking energy: -382.802 Base-Backbone interact. energy: -0.877 local terms energy: -395.040562 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -72.747 flat angles C4'-P-C4' energy: -80.601 flat angles P-C4'-P energy: -63.480 tors. eta vs tors. theta energy: -111.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1287.076527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.076527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.076527 (E_RNA) where: Base-Base interactions energy: -902.078 where: short stacking energy: -379.523 Base-Backbone interact. energy: -1.601 local terms energy: -383.397744 where: bonds (distance) C4'-P energy: -71.627 bonds (distance) P-C4' energy: -72.579 flat angles C4'-P-C4' energy: -75.080 flat angles P-C4'-P energy: -48.848 tors. eta vs tors. theta energy: -115.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1201.341527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.341527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.341527 (E_RNA) where: Base-Base interactions energy: -845.322 where: short stacking energy: -364.179 Base-Backbone interact. energy: 3.256 local terms energy: -359.275656 where: bonds (distance) C4'-P energy: -63.286 bonds (distance) P-C4' energy: -70.682 flat angles C4'-P-C4' energy: -77.170 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -95.064 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: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1161.568274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.568274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.568274 (E_RNA) where: Base-Base interactions energy: -841.468 where: short stacking energy: -332.980 Base-Backbone interact. energy: 0.110 local terms energy: -320.210368 where: bonds (distance) C4'-P energy: -69.049 bonds (distance) P-C4' energy: -56.883 flat angles C4'-P-C4' energy: -65.289 flat angles P-C4'-P energy: -46.033 tors. eta vs tors. theta energy: -82.956 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: 1 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1121.176116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.176116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.176116 (E_RNA) where: Base-Base interactions energy: -777.306 where: short stacking energy: -341.275 Base-Backbone interact. energy: -0.575 local terms energy: -343.295484 where: bonds (distance) C4'-P energy: -65.848 bonds (distance) P-C4' energy: -58.864 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -95.526 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: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1059.489516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.489516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.489516 (E_RNA) where: Base-Base interactions energy: -764.435 where: short stacking energy: -313.703 Base-Backbone interact. energy: -0.096 local terms energy: -294.958645 where: bonds (distance) C4'-P energy: -55.532 bonds (distance) P-C4' energy: -55.601 flat angles C4'-P-C4' energy: -63.662 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -77.663 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: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -973.977512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.977512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.977512 (E_RNA) where: Base-Base interactions energy: -681.441 where: short stacking energy: -275.083 Base-Backbone interact. energy: -0.505 local terms energy: -292.031456 where: bonds (distance) C4'-P energy: -57.579 bonds (distance) P-C4' energy: -59.525 flat angles C4'-P-C4' energy: -67.283 flat angles P-C4'-P energy: -45.117 tors. eta vs tors. theta energy: -62.528 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: 8, replica: 6 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -830.275467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.275467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.275467 (E_RNA) where: Base-Base interactions energy: -568.094 where: short stacking energy: -261.502 Base-Backbone interact. energy: -0.172 local terms energy: -262.009534 where: bonds (distance) C4'-P energy: -57.382 bonds (distance) P-C4' energy: -58.002 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -35.220 tors. eta vs tors. theta energy: -51.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -705.085118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.085118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.085118 (E_RNA) where: Base-Base interactions energy: -449.990 where: short stacking energy: -222.838 Base-Backbone interact. energy: -1.143 local terms energy: -253.952034 where: bonds (distance) C4'-P energy: -55.425 bonds (distance) P-C4' energy: -41.780 flat angles C4'-P-C4' energy: -61.606 flat angles P-C4'-P energy: -39.837 tors. eta vs tors. theta energy: -55.304 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: 438 Temperature: 1.350000 Total energy: -387.710004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.710004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.710004 (E_RNA) where: Base-Base interactions energy: -182.311 where: short stacking energy: -138.852 Base-Backbone interact. energy: 3.387 local terms energy: -208.786251 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -55.748 flat angles P-C4'-P energy: -31.530 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1344.362428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.362428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.362428 (E_RNA) where: Base-Base interactions energy: -946.628 where: short stacking energy: -391.290 Base-Backbone interact. energy: -1.341 local terms energy: -396.393570 where: bonds (distance) C4'-P energy: -75.167 bonds (distance) P-C4' energy: -68.769 flat angles C4'-P-C4' energy: -74.007 flat angles P-C4'-P energy: -60.544 tors. eta vs tors. theta energy: -117.906 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: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1272.876792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.876792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.876792 (E_RNA) where: Base-Base interactions energy: -895.027 where: short stacking energy: -379.277 Base-Backbone interact. energy: -1.245 local terms energy: -376.605448 where: bonds (distance) C4'-P energy: -56.005 bonds (distance) P-C4' energy: -70.891 flat angles C4'-P-C4' energy: -80.955 flat angles P-C4'-P energy: -54.723 tors. eta vs tors. theta energy: -114.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1211.436997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.436997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.436997 (E_RNA) where: Base-Base interactions energy: -844.834 where: short stacking energy: -361.036 Base-Backbone interact. energy: -1.445 local terms energy: -365.158574 where: bonds (distance) C4'-P energy: -68.130 bonds (distance) P-C4' energy: -67.326 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -56.107 tors. eta vs tors. theta energy: -102.902 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: 7 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1195.880561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.880561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.880561 (E_RNA) where: Base-Base interactions energy: -848.331 where: short stacking energy: -354.824 Base-Backbone interact. energy: 0.296 local terms energy: -347.845344 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -58.684 flat angles C4'-P-C4' energy: -81.882 flat angles P-C4'-P energy: -48.796 tors. eta vs tors. theta energy: -94.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1149.336705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.336705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.336705 (E_RNA) where: Base-Base interactions energy: -806.419 where: short stacking energy: -352.087 Base-Backbone interact. energy: -0.491 local terms energy: -342.427216 where: bonds (distance) C4'-P energy: -57.396 bonds (distance) P-C4' energy: -54.674 flat angles C4'-P-C4' energy: -78.012 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -101.681 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -993.767977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.767977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.767977 (E_RNA) where: Base-Base interactions energy: -694.172 where: short stacking energy: -299.035 Base-Backbone interact. energy: -1.463 local terms energy: -298.133402 where: bonds (distance) C4'-P energy: -50.489 bonds (distance) P-C4' energy: -66.599 flat angles C4'-P-C4' energy: -69.792 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -72.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1000.323395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.323395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.323395 (E_RNA) where: Base-Base interactions energy: -699.700 where: short stacking energy: -286.043 Base-Backbone interact. energy: 0.498 local terms energy: -301.120829 where: bonds (distance) C4'-P energy: -60.991 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -61.874 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: -80.280 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: 439 Temperature: 1.250000 Total energy: -818.758642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.758642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.758642 (E_RNA) where: Base-Base interactions energy: -541.986 where: short stacking energy: -208.713 Base-Backbone interact. energy: -0.267 local terms energy: -276.505662 where: bonds (distance) C4'-P energy: -64.820 bonds (distance) P-C4' energy: -64.791 flat angles C4'-P-C4' energy: -60.800 flat angles P-C4'-P energy: -43.966 tors. eta vs tors. theta energy: -42.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -729.810160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.810160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.810160 (E_RNA) where: Base-Base interactions energy: -465.366 where: short stacking energy: -199.350 Base-Backbone interact. energy: -1.771 local terms energy: -262.672757 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -56.482 flat angles C4'-P-C4' energy: -52.993 flat angles P-C4'-P energy: -46.038 tors. eta vs tors. theta energy: -41.866 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: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -402.777961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.777961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.777961 (E_RNA) where: Base-Base interactions energy: -207.994 where: short stacking energy: -122.059 Base-Backbone interact. energy: -1.719 local terms energy: -193.065102 where: bonds (distance) C4'-P energy: -47.502 bonds (distance) P-C4' energy: -62.131 flat angles C4'-P-C4' energy: -59.546 flat angles P-C4'-P energy: -15.650 tors. eta vs tors. theta energy: -8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1324.374194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.374194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.374194 (E_RNA) where: Base-Base interactions energy: -939.161 where: short stacking energy: -382.779 Base-Backbone interact. energy: -1.254 local terms energy: -383.958993 where: bonds (distance) C4'-P energy: -64.707 bonds (distance) P-C4' energy: -78.759 flat angles C4'-P-C4' energy: -75.515 flat angles P-C4'-P energy: -54.490 tors. eta vs tors. theta energy: -110.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1293.971330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.971330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.971330 (E_RNA) where: Base-Base interactions energy: -906.264 where: short stacking energy: -378.252 Base-Backbone interact. energy: -2.086 local terms energy: -385.620956 where: bonds (distance) C4'-P energy: -68.148 bonds (distance) P-C4' energy: -73.387 flat angles C4'-P-C4' energy: -81.550 flat angles P-C4'-P energy: -52.997 tors. eta vs tors. theta energy: -109.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1204.178630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.178630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.178630 (E_RNA) where: Base-Base interactions energy: -854.532 where: short stacking energy: -347.597 Base-Backbone interact. energy: -1.310 local terms energy: -348.337585 where: bonds (distance) C4'-P energy: -77.373 bonds (distance) P-C4' energy: -51.669 flat angles C4'-P-C4' energy: -78.699 flat angles P-C4'-P energy: -52.370 tors. eta vs tors. theta energy: -88.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1186.006202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.006202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.006202 (E_RNA) where: Base-Base interactions energy: -819.483 where: short stacking energy: -357.056 Base-Backbone interact. energy: -0.031 local terms energy: -366.492259 where: bonds (distance) C4'-P energy: -66.464 bonds (distance) P-C4' energy: -71.930 flat angles C4'-P-C4' energy: -75.049 flat angles P-C4'-P energy: -56.598 tors. eta vs tors. theta energy: -96.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1142.336091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.336091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.336091 (E_RNA) where: Base-Base interactions energy: -789.045 where: short stacking energy: -351.978 Base-Backbone interact. energy: -2.436 local terms energy: -350.855250 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -67.851 flat angles C4'-P-C4' energy: -83.250 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -94.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -983.185705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.185705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.185705 (E_RNA) where: Base-Base interactions energy: -662.353 where: short stacking energy: -288.157 Base-Backbone interact. energy: -2.142 local terms energy: -318.691049 where: bonds (distance) C4'-P energy: -64.617 bonds (distance) P-C4' energy: -74.784 flat angles C4'-P-C4' energy: -69.375 flat angles P-C4'-P energy: -42.701 tors. eta vs tors. theta energy: -67.214 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: 8 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1057.483872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.483872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.483872 (E_RNA) where: Base-Base interactions energy: -726.967 where: short stacking energy: -316.160 Base-Backbone interact. energy: -1.704 local terms energy: -328.813329 where: bonds (distance) C4'-P energy: -55.016 bonds (distance) P-C4' energy: -73.828 flat angles C4'-P-C4' energy: -66.501 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -84.840 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: 8, replica: 6 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -846.992120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.992120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.992120 (E_RNA) where: Base-Base interactions energy: -576.151 where: short stacking energy: -233.995 Base-Backbone interact. energy: 0.490 local terms energy: -271.331244 where: bonds (distance) C4'-P energy: -52.498 bonds (distance) P-C4' energy: -56.708 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -32.301 tors. eta vs tors. theta energy: -62.981 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: 440 Temperature: 1.300000 Total energy: -688.625072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.625072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.625072 (E_RNA) where: Base-Base interactions energy: -451.488 where: short stacking energy: -196.113 Base-Backbone interact. energy: -1.585 local terms energy: -235.552755 where: bonds (distance) C4'-P energy: -52.060 bonds (distance) P-C4' energy: -55.469 flat angles C4'-P-C4' energy: -57.577 flat angles P-C4'-P energy: -22.147 tors. eta vs tors. theta energy: -48.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -410.608468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.608468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.608468 (E_RNA) where: Base-Base interactions energy: -179.316 where: short stacking energy: -115.839 Base-Backbone interact. energy: 2.925 local terms energy: -234.217806 where: bonds (distance) C4'-P energy: -52.166 bonds (distance) P-C4' energy: -66.793 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -37.877 tors. eta vs tors. theta energy: -12.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1340.922228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.922228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.922228 (E_RNA) where: Base-Base interactions energy: -951.365 where: short stacking energy: -391.106 Base-Backbone interact. energy: -0.267 local terms energy: -389.289763 where: bonds (distance) C4'-P energy: -70.400 bonds (distance) P-C4' energy: -67.221 flat angles C4'-P-C4' energy: -86.604 flat angles P-C4'-P energy: -50.301 tors. eta vs tors. theta energy: -114.764 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: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1272.737256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.737256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.737256 (E_RNA) where: Base-Base interactions energy: -883.256 where: short stacking energy: -375.734 Base-Backbone interact. energy: -0.440 local terms energy: -389.041590 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -73.892 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -63.299 tors. eta vs tors. theta energy: -108.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1225.552374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.552374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.552374 (E_RNA) where: Base-Base interactions energy: -873.072 where: short stacking energy: -354.732 Base-Backbone interact. energy: 1.174 local terms energy: -353.654292 where: bonds (distance) C4'-P energy: -59.023 bonds (distance) P-C4' energy: -75.643 flat angles C4'-P-C4' energy: -72.300 flat angles P-C4'-P energy: -58.491 tors. eta vs tors. theta energy: -88.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1154.652255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.652255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.652255 (E_RNA) where: Base-Base interactions energy: -804.496 where: short stacking energy: -355.400 Base-Backbone interact. energy: 2.647 local terms energy: -352.802940 where: bonds (distance) C4'-P energy: -64.664 bonds (distance) P-C4' energy: -78.331 flat angles C4'-P-C4' energy: -78.925 flat angles P-C4'-P energy: -38.380 tors. eta vs tors. theta energy: -92.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1138.192889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.192889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.192889 (E_RNA) where: Base-Base interactions energy: -787.785 where: short stacking energy: -328.902 Base-Backbone interact. energy: -1.002 local terms energy: -349.405711 where: bonds (distance) C4'-P energy: -49.639 bonds (distance) P-C4' energy: -75.190 flat angles C4'-P-C4' energy: -64.892 flat angles P-C4'-P energy: -58.892 tors. eta vs tors. theta energy: -100.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1081.881917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.881917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.881917 (E_RNA) where: Base-Base interactions energy: -728.526 where: short stacking energy: -322.434 Base-Backbone interact. energy: -0.886 local terms energy: -352.469463 where: bonds (distance) C4'-P energy: -71.634 bonds (distance) P-C4' energy: -72.808 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -47.027 tors. eta vs tors. theta energy: -90.842 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: 5 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -957.564037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.564037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.564037 (E_RNA) where: Base-Base interactions energy: -666.454 where: short stacking energy: -274.525 Base-Backbone interact. energy: 0.245 local terms energy: -291.355103 where: bonds (distance) C4'-P energy: -47.283 bonds (distance) P-C4' energy: -57.253 flat angles C4'-P-C4' energy: -62.572 flat angles P-C4'-P energy: -46.966 tors. eta vs tors. theta energy: -77.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -850.867841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.867841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.867841 (E_RNA) where: Base-Base interactions energy: -585.638 where: short stacking energy: -265.667 Base-Backbone interact. energy: 2.563 local terms energy: -267.793093 where: bonds (distance) C4'-P energy: -49.526 bonds (distance) P-C4' energy: -64.863 flat angles C4'-P-C4' energy: -61.274 flat angles P-C4'-P energy: -36.627 tors. eta vs tors. theta energy: -55.503 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: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -703.492992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.492992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.492992 (E_RNA) where: Base-Base interactions energy: -456.634 where: short stacking energy: -213.505 Base-Backbone interact. energy: -0.075 local terms energy: -246.783598 where: bonds (distance) C4'-P energy: -45.945 bonds (distance) P-C4' energy: -56.675 flat angles C4'-P-C4' energy: -64.878 flat angles P-C4'-P energy: -34.371 tors. eta vs tors. theta energy: -44.914 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: 10, replica: 2 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -389.457798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.457798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.457798 (E_RNA) where: Base-Base interactions energy: -212.740 where: short stacking energy: -138.798 Base-Backbone interact. energy: 2.504 local terms energy: -179.221956 where: bonds (distance) C4'-P energy: -48.353 bonds (distance) P-C4' energy: -45.760 flat angles C4'-P-C4' energy: -53.830 flat angles P-C4'-P energy: -31.295 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1370.154432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.154432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.154432 (E_RNA) where: Base-Base interactions energy: -971.647 where: short stacking energy: -410.130 Base-Backbone interact. energy: -1.631 local terms energy: -396.877072 where: bonds (distance) C4'-P energy: -70.299 bonds (distance) P-C4' energy: -70.340 flat angles C4'-P-C4' energy: -79.054 flat angles P-C4'-P energy: -60.456 tors. eta vs tors. theta energy: -116.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1274.012349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.012349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.012349 (E_RNA) where: Base-Base interactions energy: -892.131 where: short stacking energy: -368.177 Base-Backbone interact. energy: -1.172 local terms energy: -380.709728 where: bonds (distance) C4'-P energy: -72.422 bonds (distance) P-C4' energy: -71.050 flat angles C4'-P-C4' energy: -73.425 flat angles P-C4'-P energy: -56.543 tors. eta vs tors. theta energy: -107.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1189.185482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.185482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.185482 (E_RNA) where: Base-Base interactions energy: -840.581 where: short stacking energy: -337.847 Base-Backbone interact. energy: 0.116 local terms energy: -348.720666 where: bonds (distance) C4'-P energy: -72.522 bonds (distance) P-C4' energy: -64.983 flat angles C4'-P-C4' energy: -80.729 flat angles P-C4'-P energy: -43.394 tors. eta vs tors. theta energy: -87.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1130.047553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.047553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.047553 (E_RNA) where: Base-Base interactions energy: -778.199 where: short stacking energy: -348.770 Base-Backbone interact. energy: -0.699 local terms energy: -351.149406 where: bonds (distance) C4'-P energy: -69.242 bonds (distance) P-C4' energy: -74.288 flat angles C4'-P-C4' energy: -72.993 flat angles P-C4'-P energy: -45.599 tors. eta vs tors. theta energy: -89.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1082.611523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.611523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.611523 (E_RNA) where: Base-Base interactions energy: -747.046 where: short stacking energy: -315.921 Base-Backbone interact. energy: -1.108 local terms energy: -334.457137 where: bonds (distance) C4'-P energy: -72.213 bonds (distance) P-C4' energy: -54.306 flat angles C4'-P-C4' energy: -65.082 flat angles P-C4'-P energy: -49.307 tors. eta vs tors. theta energy: -93.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1033.672062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.672062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.672062 (E_RNA) where: Base-Base interactions energy: -713.846 where: short stacking energy: -294.172 Base-Backbone interact. energy: 2.156 local terms energy: -321.982553 where: bonds (distance) C4'-P energy: -60.940 bonds (distance) P-C4' energy: -71.686 flat angles C4'-P-C4' energy: -71.465 flat angles P-C4'-P energy: -46.438 tors. eta vs tors. theta energy: -71.452 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: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -966.351533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.351533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.351533 (E_RNA) where: Base-Base interactions energy: -649.100 where: short stacking energy: -286.789 Base-Backbone interact. energy: -2.149 local terms energy: -315.102091 where: bonds (distance) C4'-P energy: -57.278 bonds (distance) P-C4' energy: -60.564 flat angles C4'-P-C4' energy: -67.187 flat angles P-C4'-P energy: -48.665 tors. eta vs tors. theta energy: -81.408 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: 6 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -840.262924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.262924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.262924 (E_RNA) where: Base-Base interactions energy: -569.770 where: short stacking energy: -230.722 Base-Backbone interact. energy: -2.174 local terms energy: -268.319183 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -75.057 flat angles C4'-P-C4' energy: -57.372 flat angles P-C4'-P energy: -25.132 tors. eta vs tors. theta energy: -53.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -645.661783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.661783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.661783 (E_RNA) where: Base-Base interactions energy: -393.074 where: short stacking energy: -194.879 Base-Backbone interact. energy: 0.251 local terms energy: -252.839403 where: bonds (distance) C4'-P energy: -57.982 bonds (distance) P-C4' energy: -61.273 flat angles C4'-P-C4' energy: -56.192 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: -37.201 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: 2 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -392.803170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.803170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.803170 (E_RNA) where: Base-Base interactions energy: -205.476 where: short stacking energy: -136.403 Base-Backbone interact. energy: 5.009 local terms energy: -192.335857 where: bonds (distance) C4'-P energy: -48.369 bonds (distance) P-C4' energy: -61.283 flat angles C4'-P-C4' energy: -57.482 flat angles P-C4'-P energy: -21.242 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1357.010705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.010705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.010705 (E_RNA) where: Base-Base interactions energy: -970.390 where: short stacking energy: -390.592 Base-Backbone interact. energy: -1.435 local terms energy: -385.185823 where: bonds (distance) C4'-P energy: -65.725 bonds (distance) P-C4' energy: -62.550 flat angles C4'-P-C4' energy: -89.704 flat angles P-C4'-P energy: -50.883 tors. eta vs tors. theta energy: -116.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1251.098797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.098797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.098797 (E_RNA) where: Base-Base interactions energy: -878.124 where: short stacking energy: -361.257 Base-Backbone interact. energy: -0.862 local terms energy: -372.113353 where: bonds (distance) C4'-P energy: -70.638 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -82.773 flat angles P-C4'-P energy: -55.149 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1164.896977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.896977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.896977 (E_RNA) where: Base-Base interactions energy: -828.750 where: short stacking energy: -334.775 Base-Backbone interact. energy: -1.552 local terms energy: -334.594560 where: bonds (distance) C4'-P energy: -68.974 bonds (distance) P-C4' energy: -61.683 flat angles C4'-P-C4' energy: -69.578 flat angles P-C4'-P energy: -50.111 tors. eta vs tors. theta energy: -84.249 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: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1139.374112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.374112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.374112 (E_RNA) where: Base-Base interactions energy: -802.741 where: short stacking energy: -358.376 Base-Backbone interact. energy: -0.305 local terms energy: -336.327805 where: bonds (distance) C4'-P energy: -55.071 bonds (distance) P-C4' energy: -70.715 flat angles C4'-P-C4' energy: -63.814 flat angles P-C4'-P energy: -48.608 tors. eta vs tors. theta energy: -98.119 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: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1098.615086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.615086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.615086 (E_RNA) where: Base-Base interactions energy: -764.439 where: short stacking energy: -339.595 Base-Backbone interact. energy: -1.593 local terms energy: -332.583855 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -69.705 flat angles P-C4'-P energy: -51.650 tors. eta vs tors. theta energy: -91.289 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: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1044.688450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.688450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.688450 (E_RNA) where: Base-Base interactions energy: -718.397 where: short stacking energy: -295.674 Base-Backbone interact. energy: -2.065 local terms energy: -324.226937 where: bonds (distance) C4'-P energy: -66.353 bonds (distance) P-C4' energy: -73.440 flat angles C4'-P-C4' energy: -68.274 flat angles P-C4'-P energy: -39.626 tors. eta vs tors. theta energy: -76.533 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: 5 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -945.862558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.862558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.862558 (E_RNA) where: Base-Base interactions energy: -657.217 where: short stacking energy: -277.958 Base-Backbone interact. energy: -1.514 local terms energy: -287.131085 where: bonds (distance) C4'-P energy: -52.519 bonds (distance) P-C4' energy: -59.030 flat angles C4'-P-C4' energy: -65.613 flat angles P-C4'-P energy: -40.348 tors. eta vs tors. theta energy: -69.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -782.332968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.332968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.332968 (E_RNA) where: Base-Base interactions energy: -516.296 where: short stacking energy: -228.147 Base-Backbone interact. energy: 1.677 local terms energy: -267.713059 where: bonds (distance) C4'-P energy: -58.139 bonds (distance) P-C4' energy: -61.503 flat angles C4'-P-C4' energy: -67.410 flat angles P-C4'-P energy: -27.522 tors. eta vs tors. theta energy: -53.139 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: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -685.845505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.845505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.845505 (E_RNA) where: Base-Base interactions energy: -430.620 where: short stacking energy: -208.506 Base-Backbone interact. energy: -0.955 local terms energy: -254.270498 where: bonds (distance) C4'-P energy: -48.220 bonds (distance) P-C4' energy: -64.347 flat angles C4'-P-C4' energy: -59.416 flat angles P-C4'-P energy: -34.645 tors. eta vs tors. theta energy: -47.642 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: 2 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -419.709793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.709793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.709793 (E_RNA) where: Base-Base interactions energy: -222.491 where: short stacking energy: -124.735 Base-Backbone interact. energy: -0.321 local terms energy: -196.897882 where: bonds (distance) C4'-P energy: -34.185 bonds (distance) P-C4' energy: -59.659 flat angles C4'-P-C4' energy: -61.788 flat angles P-C4'-P energy: -35.205 tors. eta vs tors. theta energy: -6.061 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: 1, replica: 4 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1352.037677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.037677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.037677 (E_RNA) where: Base-Base interactions energy: -961.331 where: short stacking energy: -395.756 Base-Backbone interact. energy: -1.996 local terms energy: -388.710319 where: bonds (distance) C4'-P energy: -63.779 bonds (distance) P-C4' energy: -75.818 flat angles C4'-P-C4' energy: -78.512 flat angles P-C4'-P energy: -58.624 tors. eta vs tors. theta energy: -111.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1285.835579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.835579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.835579 (E_RNA) where: Base-Base interactions energy: -912.519 where: short stacking energy: -391.370 Base-Backbone interact. energy: -0.005 local terms energy: -373.311564 where: bonds (distance) C4'-P energy: -67.212 bonds (distance) P-C4' energy: -68.920 flat angles C4'-P-C4' energy: -81.302 flat angles P-C4'-P energy: -48.978 tors. eta vs tors. theta energy: -106.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1178.990668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.990668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.990668 (E_RNA) where: Base-Base interactions energy: -839.370 where: short stacking energy: -342.784 Base-Backbone interact. energy: 1.788 local terms energy: -341.408670 where: bonds (distance) C4'-P energy: -66.914 bonds (distance) P-C4' energy: -68.247 flat angles C4'-P-C4' energy: -74.096 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -85.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1154.880927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.880927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.880927 (E_RNA) where: Base-Base interactions energy: -800.768 where: short stacking energy: -360.768 Base-Backbone interact. energy: -0.795 local terms energy: -353.317839 where: bonds (distance) C4'-P energy: -63.115 bonds (distance) P-C4' energy: -64.975 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -52.064 tors. eta vs tors. theta energy: -97.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1124.778313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.778313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.778313 (E_RNA) where: Base-Base interactions energy: -771.147 where: short stacking energy: -316.361 Base-Backbone interact. energy: 0.082 local terms energy: -353.712646 where: bonds (distance) C4'-P energy: -73.382 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -71.487 flat angles P-C4'-P energy: -58.499 tors. eta vs tors. theta energy: -89.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1072.246820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.246820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.246820 (E_RNA) where: Base-Base interactions energy: -750.296 where: short stacking energy: -307.762 Base-Backbone interact. energy: 1.531 local terms energy: -323.481756 where: bonds (distance) C4'-P energy: -53.611 bonds (distance) P-C4' energy: -59.589 flat angles C4'-P-C4' energy: -84.272 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -82.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -975.913976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.913976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.913976 (E_RNA) where: Base-Base interactions energy: -666.543 where: short stacking energy: -291.838 Base-Backbone interact. energy: -1.230 local terms energy: -308.140831 where: bonds (distance) C4'-P energy: -63.695 bonds (distance) P-C4' energy: -59.548 flat angles C4'-P-C4' energy: -68.023 flat angles P-C4'-P energy: -42.589 tors. eta vs tors. theta energy: -74.286 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: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -813.177495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.177495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.177495 (E_RNA) where: Base-Base interactions energy: -531.543 where: short stacking energy: -233.672 Base-Backbone interact. energy: -1.202 local terms energy: -280.432177 where: bonds (distance) C4'-P energy: -48.777 bonds (distance) P-C4' energy: -60.365 flat angles C4'-P-C4' energy: -75.277 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -50.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -688.903886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.903886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.903886 (E_RNA) where: Base-Base interactions energy: -443.202 where: short stacking energy: -207.819 Base-Backbone interact. energy: -0.665 local terms energy: -245.037062 where: bonds (distance) C4'-P energy: -39.017 bonds (distance) P-C4' energy: -61.900 flat angles C4'-P-C4' energy: -63.241 flat angles P-C4'-P energy: -38.914 tors. eta vs tors. theta energy: -41.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -436.474555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.474555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.474555 (E_RNA) where: Base-Base interactions energy: -208.333 where: short stacking energy: -121.127 Base-Backbone interact. energy: 3.197 local terms energy: -231.338363 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -70.426 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -37.989 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1361.116535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.116535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.116535 (E_RNA) where: Base-Base interactions energy: -966.491 where: short stacking energy: -399.554 Base-Backbone interact. energy: -1.927 local terms energy: -392.698111 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -70.542 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -60.817 tors. eta vs tors. theta energy: -117.421 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: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1286.710315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.710315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.710315 (E_RNA) where: Base-Base interactions energy: -915.867 where: short stacking energy: -382.821 Base-Backbone interact. energy: -1.907 local terms energy: -368.935712 where: bonds (distance) C4'-P energy: -53.981 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -78.188 flat angles P-C4'-P energy: -50.571 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: 3, replica: 7 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1205.655420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.655420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.655420 (E_RNA) where: Base-Base interactions energy: -848.873 where: short stacking energy: -338.733 Base-Backbone interact. energy: 1.740 local terms energy: -358.522494 where: bonds (distance) C4'-P energy: -64.157 bonds (distance) P-C4' energy: -69.709 flat angles C4'-P-C4' energy: -81.319 flat angles P-C4'-P energy: -55.377 tors. eta vs tors. theta energy: -87.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1138.566869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.566869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.566869 (E_RNA) where: Base-Base interactions energy: -780.163 where: short stacking energy: -357.922 Base-Backbone interact. energy: 2.564 local terms energy: -360.968580 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -65.953 flat angles C4'-P-C4' energy: -74.336 flat angles P-C4'-P energy: -57.353 tors. eta vs tors. theta energy: -101.449 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: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1095.464062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.464062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.464062 (E_RNA) where: Base-Base interactions energy: -761.165 where: short stacking energy: -324.769 Base-Backbone interact. energy: 1.024 local terms energy: -335.323394 where: bonds (distance) C4'-P energy: -72.038 bonds (distance) P-C4' energy: -54.621 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -43.639 tors. eta vs tors. theta energy: -89.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1048.214104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.214104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.214104 (E_RNA) where: Base-Base interactions energy: -715.910 where: short stacking energy: -318.804 Base-Backbone interact. energy: 0.455 local terms energy: -332.758846 where: bonds (distance) C4'-P energy: -63.482 bonds (distance) P-C4' energy: -65.900 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -51.059 tors. eta vs tors. theta energy: -84.362 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: 7, replica: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -984.189170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.189170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.189170 (E_RNA) where: Base-Base interactions energy: -688.464 where: short stacking energy: -289.886 Base-Backbone interact. energy: -2.390 local terms energy: -293.334899 where: bonds (distance) C4'-P energy: -64.483 bonds (distance) P-C4' energy: -55.014 flat angles C4'-P-C4' energy: -70.680 flat angles P-C4'-P energy: -41.533 tors. eta vs tors. theta energy: -61.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -860.103696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.103696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.103696 (E_RNA) where: Base-Base interactions energy: -564.621 where: short stacking energy: -272.910 Base-Backbone interact. energy: -0.841 local terms energy: -294.641457 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -68.356 flat angles C4'-P-C4' energy: -52.951 flat angles P-C4'-P energy: -46.822 tors. eta vs tors. theta energy: -65.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -657.835528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.835528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.835528 (E_RNA) where: Base-Base interactions energy: -431.372 where: short stacking energy: -196.483 Base-Backbone interact. energy: 0.389 local terms energy: -226.852722 where: bonds (distance) C4'-P energy: -49.420 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -55.426 flat angles P-C4'-P energy: -32.059 tors. eta vs tors. theta energy: -34.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -440.343200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.343200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.343200 (E_RNA) where: Base-Base interactions energy: -241.518 where: short stacking energy: -154.530 Base-Backbone interact. energy: 5.533 local terms energy: -204.358326 where: bonds (distance) C4'-P energy: -56.963 bonds (distance) P-C4' energy: -53.288 flat angles C4'-P-C4' energy: -47.955 flat angles P-C4'-P energy: -37.952 tors. eta vs tors. theta energy: -8.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1345.137616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.137616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.137616 (E_RNA) where: Base-Base interactions energy: -948.421 where: short stacking energy: -383.446 Base-Backbone interact. energy: -1.608 local terms energy: -395.109175 where: bonds (distance) C4'-P energy: -74.795 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -79.827 flat angles P-C4'-P energy: -60.260 tors. eta vs tors. theta energy: -110.647 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: 446 Temperature: 0.950000 Total energy: -1268.873023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.873023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.873023 (E_RNA) where: Base-Base interactions energy: -888.747 where: short stacking energy: -381.242 Base-Backbone interact. energy: -1.166 local terms energy: -378.959457 where: bonds (distance) C4'-P energy: -74.674 bonds (distance) P-C4' energy: -68.701 flat angles C4'-P-C4' energy: -76.168 flat angles P-C4'-P energy: -49.203 tors. eta vs tors. theta energy: -110.214 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: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1186.711828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.711828 (E_RNA) where: Base-Base interactions energy: -801.964 where: short stacking energy: -367.524 Base-Backbone interact. energy: -0.898 local terms energy: -383.850028 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -66.683 flat angles C4'-P-C4' energy: -82.315 flat angles P-C4'-P energy: -52.737 tors. eta vs tors. theta energy: -105.174 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: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1198.899499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.899499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.899499 (E_RNA) where: Base-Base interactions energy: -874.739 where: short stacking energy: -361.021 Base-Backbone interact. energy: -1.585 local terms energy: -322.575690 where: bonds (distance) C4'-P energy: -61.972 bonds (distance) P-C4' energy: -51.868 flat angles C4'-P-C4' energy: -71.123 flat angles P-C4'-P energy: -46.562 tors. eta vs tors. theta energy: -91.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1112.318113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.318113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.318113 (E_RNA) where: Base-Base interactions energy: -801.497 where: short stacking energy: -325.539 Base-Backbone interact. energy: 0.937 local terms energy: -311.758007 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -66.629 flat angles C4'-P-C4' energy: -59.655 flat angles P-C4'-P energy: -42.921 tors. eta vs tors. theta energy: -84.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1047.243589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.243589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.243589 (E_RNA) where: Base-Base interactions energy: -731.639 where: short stacking energy: -321.633 Base-Backbone interact. energy: -2.160 local terms energy: -313.444193 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -55.541 flat angles C4'-P-C4' energy: -67.300 flat angles P-C4'-P energy: -45.933 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: 7, replica: 5 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -950.412599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.412599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.412599 (E_RNA) where: Base-Base interactions energy: -640.686 where: short stacking energy: -282.028 Base-Backbone interact. energy: -0.935 local terms energy: -308.792172 where: bonds (distance) C4'-P energy: -57.692 bonds (distance) P-C4' energy: -66.950 flat angles C4'-P-C4' energy: -66.605 flat angles P-C4'-P energy: -40.572 tors. eta vs tors. theta energy: -76.973 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: 6 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -829.116588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.116588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.116588 (E_RNA) where: Base-Base interactions energy: -555.009 where: short stacking energy: -234.621 Base-Backbone interact. energy: -1.078 local terms energy: -273.030068 where: bonds (distance) C4'-P energy: -50.548 bonds (distance) P-C4' energy: -69.210 flat angles C4'-P-C4' energy: -61.184 flat angles P-C4'-P energy: -41.439 tors. eta vs tors. theta energy: -50.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -615.850235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.850235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.850235 (E_RNA) where: Base-Base interactions energy: -374.443 where: short stacking energy: -182.437 Base-Backbone interact. energy: -2.225 local terms energy: -239.182286 where: bonds (distance) C4'-P energy: -56.466 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -54.876 flat angles P-C4'-P energy: -39.621 tors. eta vs tors. theta energy: -23.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -432.005128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.005128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.005128 (E_RNA) where: Base-Base interactions energy: -227.192 where: short stacking energy: -139.354 Base-Backbone interact. energy: 0.093 local terms energy: -204.906258 where: bonds (distance) C4'-P energy: -62.065 bonds (distance) P-C4' energy: -59.568 flat angles C4'-P-C4' energy: -49.414 flat angles P-C4'-P energy: -33.700 tors. eta vs tors. theta energy: -0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1332.441078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.441078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.441078 (E_RNA) where: Base-Base interactions energy: -955.757 where: short stacking energy: -395.427 Base-Backbone interact. energy: -1.170 local terms energy: -375.514608 where: bonds (distance) C4'-P energy: -61.786 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -54.313 tors. eta vs tors. theta energy: -118.012 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: 2, replica: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1263.205147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.205147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.205147 (E_RNA) where: Base-Base interactions energy: -882.556 where: short stacking energy: -374.440 Base-Backbone interact. energy: -1.493 local terms energy: -379.157016 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -74.688 flat angles C4'-P-C4' energy: -76.998 flat angles P-C4'-P energy: -52.284 tors. eta vs tors. theta energy: -110.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1182.523064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.523064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.523064 (E_RNA) where: Base-Base interactions energy: -820.754 where: short stacking energy: -379.111 Base-Backbone interact. energy: 0.190 local terms energy: -361.959031 where: bonds (distance) C4'-P energy: -62.787 bonds (distance) P-C4' energy: -60.292 flat angles C4'-P-C4' energy: -81.994 flat angles P-C4'-P energy: -59.790 tors. eta vs tors. theta energy: -97.096 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: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1171.816981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.816981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.816981 (E_RNA) where: Base-Base interactions energy: -818.369 where: short stacking energy: -350.218 Base-Backbone interact. energy: -1.364 local terms energy: -352.083522 where: bonds (distance) C4'-P energy: -62.813 bonds (distance) P-C4' energy: -72.879 flat angles C4'-P-C4' energy: -73.679 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: -96.995 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: 7 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1132.684182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.684182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.684182 (E_RNA) where: Base-Base interactions energy: -816.713 where: short stacking energy: -330.848 Base-Backbone interact. energy: 1.047 local terms energy: -317.018594 where: bonds (distance) C4'-P energy: -49.873 bonds (distance) P-C4' energy: -58.686 flat angles C4'-P-C4' energy: -74.520 flat angles P-C4'-P energy: -39.563 tors. eta vs tors. theta energy: -94.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1071.368488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.368488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.368488 (E_RNA) where: Base-Base interactions energy: -750.580 where: short stacking energy: -312.118 Base-Backbone interact. energy: 0.886 local terms energy: -321.674398 where: bonds (distance) C4'-P energy: -52.546 bonds (distance) P-C4' energy: -71.949 flat angles C4'-P-C4' energy: -72.248 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -82.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -944.305985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.305985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.305985 (E_RNA) where: Base-Base interactions energy: -659.254 where: short stacking energy: -292.132 Base-Backbone interact. energy: 1.887 local terms energy: -286.938484 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -59.527 flat angles C4'-P-C4' energy: -67.391 flat angles P-C4'-P energy: -35.923 tors. eta vs tors. theta energy: -62.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -831.761718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.761718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.761718 (E_RNA) where: Base-Base interactions energy: -563.091 where: short stacking energy: -248.061 Base-Backbone interact. energy: 1.778 local terms energy: -270.449211 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -54.426 flat angles C4'-P-C4' energy: -52.448 flat angles P-C4'-P energy: -54.258 tors. eta vs tors. theta energy: -53.728 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: 447 Temperature: 1.300000 Total energy: -566.415854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.415854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.415854 (E_RNA) where: Base-Base interactions energy: -336.959 where: short stacking energy: -148.119 Base-Backbone interact. energy: -0.466 local terms energy: -228.991652 where: bonds (distance) C4'-P energy: -59.107 bonds (distance) P-C4' energy: -65.073 flat angles C4'-P-C4' energy: -52.748 flat angles P-C4'-P energy: -37.239 tors. eta vs tors. theta energy: -14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -425.896328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.896328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.896328 (E_RNA) where: Base-Base interactions energy: -219.039 where: short stacking energy: -142.705 Base-Backbone interact. energy: 1.418 local terms energy: -208.275398 where: bonds (distance) C4'-P energy: -33.500 bonds (distance) P-C4' energy: -61.302 flat angles C4'-P-C4' energy: -58.701 flat angles P-C4'-P energy: -46.147 tors. eta vs tors. theta energy: -8.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1346.714984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.714984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.714984 (E_RNA) where: Base-Base interactions energy: -959.970 where: short stacking energy: -384.331 Base-Backbone interact. energy: -1.907 local terms energy: -384.837546 where: bonds (distance) C4'-P energy: -72.827 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -76.563 flat angles P-C4'-P energy: -51.404 tors. eta vs tors. theta energy: -110.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1269.310985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.310985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.310985 (E_RNA) where: Base-Base interactions energy: -880.673 where: short stacking energy: -375.648 Base-Backbone interact. energy: 0.259 local terms energy: -388.896509 where: bonds (distance) C4'-P energy: -64.752 bonds (distance) P-C4' energy: -77.382 flat angles C4'-P-C4' energy: -83.581 flat angles P-C4'-P energy: -51.035 tors. eta vs tors. theta energy: -112.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1210.045678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.045678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.045678 (E_RNA) where: Base-Base interactions energy: -827.228 where: short stacking energy: -366.908 Base-Backbone interact. energy: -1.312 local terms energy: -381.505613 where: bonds (distance) C4'-P energy: -68.336 bonds (distance) P-C4' energy: -72.073 flat angles C4'-P-C4' energy: -83.440 flat angles P-C4'-P energy: -59.672 tors. eta vs tors. theta energy: -97.985 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: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1137.503300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.503300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.503300 (E_RNA) where: Base-Base interactions energy: -817.429 where: short stacking energy: -340.934 Base-Backbone interact. energy: -0.008 local terms energy: -320.066606 where: bonds (distance) C4'-P energy: -43.752 bonds (distance) P-C4' energy: -71.669 flat angles C4'-P-C4' energy: -67.725 flat angles P-C4'-P energy: -46.742 tors. eta vs tors. theta energy: -90.178 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: 448 Temperature: 1.100000 Total energy: -1135.276025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.276025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.276025 (E_RNA) where: Base-Base interactions energy: -813.310 where: short stacking energy: -318.686 Base-Backbone interact. energy: 0.168 local terms energy: -322.133799 where: bonds (distance) C4'-P energy: -67.378 bonds (distance) P-C4' energy: -59.537 flat angles C4'-P-C4' energy: -64.184 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -89.717 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: 10 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1105.532694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.532694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.532694 (E_RNA) where: Base-Base interactions energy: -782.943 where: short stacking energy: -325.199 Base-Backbone interact. energy: -0.992 local terms energy: -321.597766 where: bonds (distance) C4'-P energy: -65.384 bonds (distance) P-C4' energy: -53.037 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -41.646 tors. eta vs tors. theta energy: -86.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -977.964259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.964259 (E_RNA) where: Base-Base interactions energy: -679.134 where: short stacking energy: -291.882 Base-Backbone interact. energy: 3.259 local terms energy: -302.089391 where: bonds (distance) C4'-P energy: -57.681 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -71.945 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -69.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -805.577971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.577971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.577971 (E_RNA) where: Base-Base interactions energy: -527.066 where: short stacking energy: -231.378 Base-Backbone interact. energy: -1.797 local terms energy: -276.714918 where: bonds (distance) C4'-P energy: -54.921 bonds (distance) P-C4' energy: -72.778 flat angles C4'-P-C4' energy: -55.751 flat angles P-C4'-P energy: -42.304 tors. eta vs tors. theta energy: -50.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -503.167122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.167122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.167122 (E_RNA) where: Base-Base interactions energy: -279.193 where: short stacking energy: -154.570 Base-Backbone interact. energy: -1.003 local terms energy: -222.970701 where: bonds (distance) C4'-P energy: -65.484 bonds (distance) P-C4' energy: -52.420 flat angles C4'-P-C4' energy: -54.025 flat angles P-C4'-P energy: -31.811 tors. eta vs tors. theta energy: -19.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -430.290163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.290163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.290163 (E_RNA) where: Base-Base interactions energy: -211.204 where: short stacking energy: -137.509 Base-Backbone interact. energy: 0.180 local terms energy: -219.266588 where: bonds (distance) C4'-P energy: -53.408 bonds (distance) P-C4' energy: -70.014 flat angles C4'-P-C4' energy: -47.256 flat angles P-C4'-P energy: -39.086 tors. eta vs tors. theta energy: -9.503 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: 1, replica: 4 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1338.247527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.247527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.247527 (E_RNA) where: Base-Base interactions energy: -957.220 where: short stacking energy: -388.842 Base-Backbone interact. energy: -0.634 local terms energy: -380.393399 where: bonds (distance) C4'-P energy: -71.198 bonds (distance) P-C4' energy: -60.810 flat angles C4'-P-C4' energy: -81.278 flat angles P-C4'-P energy: -58.496 tors. eta vs tors. theta energy: -108.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1278.562648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.562648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.562648 (E_RNA) where: Base-Base interactions energy: -901.804 where: short stacking energy: -366.000 Base-Backbone interact. energy: -1.264 local terms energy: -375.494264 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -73.350 flat angles C4'-P-C4' energy: -76.771 flat angles P-C4'-P energy: -58.246 tors. eta vs tors. theta energy: -106.205 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: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1184.949456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.949456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.949456 (E_RNA) where: Base-Base interactions energy: -840.290 where: short stacking energy: -382.076 Base-Backbone interact. energy: -0.198 local terms energy: -344.461603 where: bonds (distance) C4'-P energy: -61.322 bonds (distance) P-C4' energy: -64.276 flat angles C4'-P-C4' energy: -74.696 flat angles P-C4'-P energy: -42.797 tors. eta vs tors. theta energy: -101.370 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: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1185.443868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.443868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.443868 (E_RNA) where: Base-Base interactions energy: -843.570 where: short stacking energy: -340.372 Base-Backbone interact. energy: -1.258 local terms energy: -340.615977 where: bonds (distance) C4'-P energy: -68.049 bonds (distance) P-C4' energy: -57.096 flat angles C4'-P-C4' energy: -78.218 flat angles P-C4'-P energy: -51.518 tors. eta vs tors. theta energy: -85.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1078.893124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.893124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.893124 (E_RNA) where: Base-Base interactions energy: -739.373 where: short stacking energy: -315.133 Base-Backbone interact. energy: -1.976 local terms energy: -337.544990 where: bonds (distance) C4'-P energy: -66.626 bonds (distance) P-C4' energy: -61.791 flat angles C4'-P-C4' energy: -68.240 flat angles P-C4'-P energy: -49.397 tors. eta vs tors. theta energy: -91.490 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: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1107.008083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.008083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.008083 (E_RNA) where: Base-Base interactions energy: -778.973 where: short stacking energy: -331.278 Base-Backbone interact. energy: -2.060 local terms energy: -325.974548 where: bonds (distance) C4'-P energy: -53.701 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -71.053 flat angles P-C4'-P energy: -57.163 tors. eta vs tors. theta energy: -86.560 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: 7, replica: 5 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1001.866584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.866584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.866584 (E_RNA) where: Base-Base interactions energy: -716.960 where: short stacking energy: -299.118 Base-Backbone interact. energy: 3.931 local terms energy: -288.837688 where: bonds (distance) C4'-P energy: -52.062 bonds (distance) P-C4' energy: -53.880 flat angles C4'-P-C4' energy: -68.428 flat angles P-C4'-P energy: -31.776 tors. eta vs tors. theta energy: -82.692 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: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -832.163386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.163386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.163386 (E_RNA) where: Base-Base interactions energy: -572.100 where: short stacking energy: -251.940 Base-Backbone interact. energy: -1.726 local terms energy: -258.337814 where: bonds (distance) C4'-P energy: -49.270 bonds (distance) P-C4' energy: -59.952 flat angles C4'-P-C4' energy: -58.275 flat angles P-C4'-P energy: -41.393 tors. eta vs tors. theta energy: -49.448 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: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -496.823130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.823130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.823130 (E_RNA) where: Base-Base interactions energy: -288.845 where: short stacking energy: -151.851 Base-Backbone interact. energy: -1.811 local terms energy: -206.167833 where: bonds (distance) C4'-P energy: -48.174 bonds (distance) P-C4' energy: -56.823 flat angles C4'-P-C4' energy: -51.333 flat angles P-C4'-P energy: -35.877 tors. eta vs tors. theta energy: -13.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -432.755480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.755480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.755480 (E_RNA) where: Base-Base interactions energy: -215.097 where: short stacking energy: -135.779 Base-Backbone interact. energy: -1.126 local terms energy: -216.532255 where: bonds (distance) C4'-P energy: -45.423 bonds (distance) P-C4' energy: -52.192 flat angles C4'-P-C4' energy: -59.835 flat angles P-C4'-P energy: -45.219 tors. eta vs tors. theta energy: -13.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1337.298658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.298658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.298658 (E_RNA) where: Base-Base interactions energy: -949.357 where: short stacking energy: -389.216 Base-Backbone interact. energy: -1.963 local terms energy: -385.978002 where: bonds (distance) C4'-P energy: -72.036 bonds (distance) P-C4' energy: -61.441 flat angles C4'-P-C4' energy: -79.397 flat angles P-C4'-P energy: -58.867 tors. eta vs tors. theta energy: -114.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1269.689733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.689733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.689733 (E_RNA) where: Base-Base interactions energy: -894.660 where: short stacking energy: -382.869 Base-Backbone interact. energy: -0.851 local terms energy: -374.178123 where: bonds (distance) C4'-P energy: -55.696 bonds (distance) P-C4' energy: -70.817 flat angles C4'-P-C4' energy: -80.704 flat angles P-C4'-P energy: -52.009 tors. eta vs tors. theta energy: -114.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1206.213271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.213271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.213271 (E_RNA) where: Base-Base interactions energy: -837.489 where: short stacking energy: -392.800 Base-Backbone interact. energy: -0.302 local terms energy: -368.422059 where: bonds (distance) C4'-P energy: -64.085 bonds (distance) P-C4' energy: -72.015 flat angles C4'-P-C4' energy: -77.412 flat angles P-C4'-P energy: -46.737 tors. eta vs tors. theta energy: -108.173 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: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1179.956388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.956388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.956388 (E_RNA) where: Base-Base interactions energy: -843.900 where: short stacking energy: -355.300 Base-Backbone interact. energy: -2.959 local terms energy: -333.096871 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -66.279 flat angles C4'-P-C4' energy: -62.419 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -92.307 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: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1082.046842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.046842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.046842 (E_RNA) where: Base-Base interactions energy: -754.323 where: short stacking energy: -334.646 Base-Backbone interact. energy: 1.586 local terms energy: -329.310080 where: bonds (distance) C4'-P energy: -49.038 bonds (distance) P-C4' energy: -67.694 flat angles C4'-P-C4' energy: -73.624 flat angles P-C4'-P energy: -47.690 tors. eta vs tors. theta energy: -91.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1104.707929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.707929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.707929 (E_RNA) where: Base-Base interactions energy: -793.544 where: short stacking energy: -332.236 Base-Backbone interact. energy: -0.544 local terms energy: -310.619677 where: bonds (distance) C4'-P energy: -54.459 bonds (distance) P-C4' energy: -45.517 flat angles C4'-P-C4' energy: -65.196 flat angles P-C4'-P energy: -52.128 tors. eta vs tors. theta energy: -93.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -984.557555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.557555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.557555 (E_RNA) where: Base-Base interactions energy: -675.725 where: short stacking energy: -279.623 Base-Backbone interact. energy: -0.408 local terms energy: -308.424270 where: bonds (distance) C4'-P energy: -61.675 bonds (distance) P-C4' energy: -62.476 flat angles C4'-P-C4' energy: -65.254 flat angles P-C4'-P energy: -42.314 tors. eta vs tors. theta energy: -76.706 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: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -815.768119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.768119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.768119 (E_RNA) where: Base-Base interactions energy: -530.626 where: short stacking energy: -226.770 Base-Backbone interact. energy: 0.004 local terms energy: -285.146623 where: bonds (distance) C4'-P energy: -68.282 bonds (distance) P-C4' energy: -59.302 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -46.786 tors. eta vs tors. theta energy: -55.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -440.000869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.000869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.000869 (E_RNA) where: Base-Base interactions energy: -209.563 where: short stacking energy: -123.050 Base-Backbone interact. energy: 1.144 local terms energy: -231.582616 where: bonds (distance) C4'-P energy: -62.198 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -58.313 flat angles P-C4'-P energy: -38.656 tors. eta vs tors. theta energy: -10.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -468.414632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.414632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.414632 (E_RNA) where: Base-Base interactions energy: -271.677 where: short stacking energy: -124.270 Base-Backbone interact. energy: 1.919 local terms energy: -198.656409 where: bonds (distance) C4'-P energy: -63.214 bonds (distance) P-C4' energy: -55.065 flat angles C4'-P-C4' energy: -60.970 flat angles P-C4'-P energy: -15.637 tors. eta vs tors. theta energy: -3.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1337.688385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.688385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.688385 (E_RNA) where: Base-Base interactions energy: -954.300 where: short stacking energy: -410.639 Base-Backbone interact. energy: -1.098 local terms energy: -382.290009 where: bonds (distance) C4'-P energy: -62.689 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -74.684 flat angles P-C4'-P energy: -57.772 tors. eta vs tors. theta energy: -121.960 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: 451 Temperature: 0.950000 Total energy: -1273.740523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.740523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.740523 (E_RNA) where: Base-Base interactions energy: -900.316 where: short stacking energy: -381.530 Base-Backbone interact. energy: -2.438 local terms energy: -370.987282 where: bonds (distance) C4'-P energy: -69.932 bonds (distance) P-C4' energy: -62.537 flat angles C4'-P-C4' energy: -74.231 flat angles P-C4'-P energy: -54.712 tors. eta vs tors. theta energy: -109.575 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: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1188.022520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.022520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.022520 (E_RNA) where: Base-Base interactions energy: -815.222 where: short stacking energy: -351.632 Base-Backbone interact. energy: -1.993 local terms energy: -370.807218 where: bonds (distance) C4'-P energy: -62.608 bonds (distance) P-C4' energy: -66.425 flat angles C4'-P-C4' energy: -82.681 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -106.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1160.454119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.454119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.454119 (E_RNA) where: Base-Base interactions energy: -826.708 where: short stacking energy: -338.515 Base-Backbone interact. energy: -0.533 local terms energy: -333.212527 where: bonds (distance) C4'-P energy: -61.354 bonds (distance) P-C4' energy: -68.918 flat angles C4'-P-C4' energy: -78.687 flat angles P-C4'-P energy: -45.992 tors. eta vs tors. theta energy: -78.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1116.056857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.056857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.056857 (E_RNA) where: Base-Base interactions energy: -784.039 where: short stacking energy: -323.746 Base-Backbone interact. energy: -0.086 local terms energy: -331.931808 where: bonds (distance) C4'-P energy: -55.800 bonds (distance) P-C4' energy: -61.570 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -94.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1122.733149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.733149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.733149 (E_RNA) where: Base-Base interactions energy: -791.380 where: short stacking energy: -317.775 Base-Backbone interact. energy: -1.025 local terms energy: -330.328149 where: bonds (distance) C4'-P energy: -62.202 bonds (distance) P-C4' energy: -63.795 flat angles C4'-P-C4' energy: -74.865 flat angles P-C4'-P energy: -43.100 tors. eta vs tors. theta energy: -86.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1012.870343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.870343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.870343 (E_RNA) where: Base-Base interactions energy: -731.989 where: short stacking energy: -293.644 Base-Backbone interact. energy: 1.951 local terms energy: -282.832138 where: bonds (distance) C4'-P energy: -52.654 bonds (distance) P-C4' energy: -57.306 flat angles C4'-P-C4' energy: -68.671 flat angles P-C4'-P energy: -32.549 tors. eta vs tors. theta energy: -71.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -759.025932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.025932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.025932 (E_RNA) where: Base-Base interactions energy: -486.898 where: short stacking energy: -222.796 Base-Backbone interact. energy: 0.446 local terms energy: -272.573611 where: bonds (distance) C4'-P energy: -50.542 bonds (distance) P-C4' energy: -51.500 flat angles C4'-P-C4' energy: -68.712 flat angles P-C4'-P energy: -45.313 tors. eta vs tors. theta energy: -56.507 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: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -478.629073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.629073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.629073 (E_RNA) where: Base-Base interactions energy: -242.269 where: short stacking energy: -124.549 Base-Backbone interact. energy: -0.518 local terms energy: -235.842173 where: bonds (distance) C4'-P energy: -63.132 bonds (distance) P-C4' energy: -60.441 flat angles C4'-P-C4' energy: -65.290 flat angles P-C4'-P energy: -43.154 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -476.265174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.265174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.265174 (E_RNA) where: Base-Base interactions energy: -291.302 where: short stacking energy: -141.675 Base-Backbone interact. energy: 1.081 local terms energy: -186.043411 where: bonds (distance) C4'-P energy: -37.640 bonds (distance) P-C4' energy: -59.858 flat angles C4'-P-C4' energy: -42.407 flat angles P-C4'-P energy: -28.763 tors. eta vs tors. theta energy: -17.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1338.300468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.300468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.300468 (E_RNA) where: Base-Base interactions energy: -954.542 where: short stacking energy: -409.447 Base-Backbone interact. energy: -0.012 local terms energy: -383.745769 where: bonds (distance) C4'-P energy: -63.044 bonds (distance) P-C4' energy: -75.728 flat angles C4'-P-C4' energy: -77.125 flat angles P-C4'-P energy: -50.531 tors. eta vs tors. theta energy: -117.318 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: 2, replica: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1266.517717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.517717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.517717 (E_RNA) where: Base-Base interactions energy: -880.824 where: short stacking energy: -361.112 Base-Backbone interact. energy: -0.501 local terms energy: -385.192558 where: bonds (distance) C4'-P energy: -72.831 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -77.323 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -106.573 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: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1193.056304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.056304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.056304 (E_RNA) where: Base-Base interactions energy: -826.437 where: short stacking energy: -367.023 Base-Backbone interact. energy: 1.942 local terms energy: -368.561022 where: bonds (distance) C4'-P energy: -65.744 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -76.188 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -107.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1175.830548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.830548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.830548 (E_RNA) where: Base-Base interactions energy: -848.257 where: short stacking energy: -329.287 Base-Backbone interact. energy: -0.772 local terms energy: -326.802226 where: bonds (distance) C4'-P energy: -60.210 bonds (distance) P-C4' energy: -70.346 flat angles C4'-P-C4' energy: -77.723 flat angles P-C4'-P energy: -31.176 tors. eta vs tors. theta energy: -87.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1130.595504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.595504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.595504 (E_RNA) where: Base-Base interactions energy: -802.733 where: short stacking energy: -333.269 Base-Backbone interact. energy: -0.562 local terms energy: -327.300215 where: bonds (distance) C4'-P energy: -64.399 bonds (distance) P-C4' energy: -54.313 flat angles C4'-P-C4' energy: -76.180 flat angles P-C4'-P energy: -41.089 tors. eta vs tors. theta energy: -91.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1118.539133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.539133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.539133 (E_RNA) where: Base-Base interactions energy: -773.149 where: short stacking energy: -331.697 Base-Backbone interact. energy: -1.335 local terms energy: -344.055598 where: bonds (distance) C4'-P energy: -69.297 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -70.169 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -87.824 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: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -996.251749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.251749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.251749 (E_RNA) where: Base-Base interactions energy: -702.296 where: short stacking energy: -288.579 Base-Backbone interact. energy: -1.397 local terms energy: -292.558673 where: bonds (distance) C4'-P energy: -53.583 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -58.501 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -73.697 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: 452 Temperature: 1.250000 Total energy: -731.986301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.986301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.986301 (E_RNA) where: Base-Base interactions energy: -458.368 where: short stacking energy: -213.389 Base-Backbone interact. energy: 0.470 local terms energy: -274.088184 where: bonds (distance) C4'-P energy: -54.943 bonds (distance) P-C4' energy: -58.704 flat angles C4'-P-C4' energy: -60.721 flat angles P-C4'-P energy: -44.240 tors. eta vs tors. theta energy: -55.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -546.563275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.563275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.563275 (E_RNA) where: Base-Base interactions energy: -335.051 where: short stacking energy: -169.379 Base-Backbone interact. energy: -1.645 local terms energy: -209.866712 where: bonds (distance) C4'-P energy: -53.716 bonds (distance) P-C4' energy: -59.439 flat angles C4'-P-C4' energy: -35.472 flat angles P-C4'-P energy: -38.974 tors. eta vs tors. theta energy: -22.266 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: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -485.154542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.154542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.154542 (E_RNA) where: Base-Base interactions energy: -279.488 where: short stacking energy: -139.254 Base-Backbone interact. energy: -2.456 local terms energy: -203.210313 where: bonds (distance) C4'-P energy: -51.666 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -39.145 flat angles P-C4'-P energy: -38.428 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1350.200491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.200491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.200491 (E_RNA) where: Base-Base interactions energy: -968.156 where: short stacking energy: -420.733 Base-Backbone interact. energy: -1.721 local terms energy: -380.323693 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -67.279 flat angles C4'-P-C4' energy: -77.628 flat angles P-C4'-P energy: -57.579 tors. eta vs tors. theta energy: -117.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1264.391796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.391796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.391796 (E_RNA) where: Base-Base interactions energy: -895.849 where: short stacking energy: -380.070 Base-Backbone interact. energy: -0.842 local terms energy: -367.700321 where: bonds (distance) C4'-P energy: -59.841 bonds (distance) P-C4' energy: -65.991 flat angles C4'-P-C4' energy: -77.475 flat angles P-C4'-P energy: -56.938 tors. eta vs tors. theta energy: -107.456 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: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1206.904287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.904287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.904287 (E_RNA) where: Base-Base interactions energy: -844.359 where: short stacking energy: -368.361 Base-Backbone interact. energy: -0.056 local terms energy: -362.489210 where: bonds (distance) C4'-P energy: -66.091 bonds (distance) P-C4' energy: -67.698 flat angles C4'-P-C4' energy: -74.429 flat angles P-C4'-P energy: -51.305 tors. eta vs tors. theta energy: -102.966 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: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1159.505968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.505968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.505968 (E_RNA) where: Base-Base interactions energy: -832.281 where: short stacking energy: -330.095 Base-Backbone interact. energy: -2.053 local terms energy: -325.172078 where: bonds (distance) C4'-P energy: -67.550 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -78.312 flat angles P-C4'-P energy: -34.596 tors. eta vs tors. theta energy: -85.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1128.948074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.948074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.948074 (E_RNA) where: Base-Base interactions energy: -791.836 where: short stacking energy: -337.240 Base-Backbone interact. energy: 0.193 local terms energy: -337.304667 where: bonds (distance) C4'-P energy: -58.437 bonds (distance) P-C4' energy: -58.158 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -54.731 tors. eta vs tors. theta energy: -94.845 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: 10 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1085.715967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.715967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.715967 (E_RNA) where: Base-Base interactions energy: -769.143 where: short stacking energy: -317.932 Base-Backbone interact. energy: -1.627 local terms energy: -314.945207 where: bonds (distance) C4'-P energy: -61.648 bonds (distance) P-C4' energy: -49.465 flat angles C4'-P-C4' energy: -76.134 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -84.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -983.915985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.915985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.915985 (E_RNA) where: Base-Base interactions energy: -675.472 where: short stacking energy: -293.257 Base-Backbone interact. energy: 1.380 local terms energy: -309.823797 where: bonds (distance) C4'-P energy: -57.113 bonds (distance) P-C4' energy: -66.658 flat angles C4'-P-C4' energy: -66.473 flat angles P-C4'-P energy: -43.716 tors. eta vs tors. theta energy: -75.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -778.099450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.099450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.099450 (E_RNA) where: Base-Base interactions energy: -515.023 where: short stacking energy: -250.548 Base-Backbone interact. energy: -0.035 local terms energy: -263.041463 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -51.752 flat angles C4'-P-C4' energy: -59.087 flat angles P-C4'-P energy: -32.689 tors. eta vs tors. theta energy: -56.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -545.506429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.506429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.506429 (E_RNA) where: Base-Base interactions energy: -305.411 where: short stacking energy: -155.701 Base-Backbone interact. energy: 5.393 local terms energy: -245.489260 where: bonds (distance) C4'-P energy: -66.980 bonds (distance) P-C4' energy: -70.672 flat angles C4'-P-C4' energy: -56.803 flat angles P-C4'-P energy: -25.225 tors. eta vs tors. theta energy: -25.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -469.986482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.986482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.986482 (E_RNA) where: Base-Base interactions energy: -263.485 where: short stacking energy: -133.440 Base-Backbone interact. energy: -0.909 local terms energy: -205.592073 where: bonds (distance) C4'-P energy: -48.427 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -49.218 flat angles P-C4'-P energy: -37.730 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1349.438119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.438119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.438119 (E_RNA) where: Base-Base interactions energy: -948.688 where: short stacking energy: -407.454 Base-Backbone interact. energy: -0.479 local terms energy: -400.271342 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -65.737 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -61.488 tors. eta vs tors. theta energy: -119.683 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: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1276.692171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.692171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.692171 (E_RNA) where: Base-Base interactions energy: -881.047 where: short stacking energy: -379.632 Base-Backbone interact. energy: -0.594 local terms energy: -395.051105 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -74.535 flat angles C4'-P-C4' energy: -81.259 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -108.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1180.421607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.421607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.421607 (E_RNA) where: Base-Base interactions energy: -799.753 where: short stacking energy: -361.815 Base-Backbone interact. energy: -0.949 local terms energy: -379.719317 where: bonds (distance) C4'-P energy: -74.079 bonds (distance) P-C4' energy: -72.468 flat angles C4'-P-C4' energy: -82.569 flat angles P-C4'-P energy: -52.197 tors. eta vs tors. theta energy: -98.406 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: 454 Temperature: 1.050000 Total energy: -1164.790797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.790797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.790797 (E_RNA) where: Base-Base interactions energy: -831.229 where: short stacking energy: -337.805 Base-Backbone interact. energy: -1.334 local terms energy: -332.228118 where: bonds (distance) C4'-P energy: -61.026 bonds (distance) P-C4' energy: -66.462 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -82.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1122.373492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.373492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.373492 (E_RNA) where: Base-Base interactions energy: -771.061 where: short stacking energy: -343.447 Base-Backbone interact. energy: -0.026 local terms energy: -351.286833 where: bonds (distance) C4'-P energy: -65.416 bonds (distance) P-C4' energy: -65.108 flat angles C4'-P-C4' energy: -77.678 flat angles P-C4'-P energy: -52.427 tors. eta vs tors. theta energy: -90.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1138.271617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.271617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.271617 (E_RNA) where: Base-Base interactions energy: -810.897 where: short stacking energy: -317.467 Base-Backbone interact. energy: -0.478 local terms energy: -326.896246 where: bonds (distance) C4'-P energy: -60.052 bonds (distance) P-C4' energy: -69.961 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -42.421 tors. eta vs tors. theta energy: -85.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -987.813628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.813628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.813628 (E_RNA) where: Base-Base interactions energy: -687.679 where: short stacking energy: -285.609 Base-Backbone interact. energy: -0.978 local terms energy: -299.156237 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -63.349 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -33.382 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: 6 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -769.429934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.429934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.429934 (E_RNA) where: Base-Base interactions energy: -505.493 where: short stacking energy: -229.726 Base-Backbone interact. energy: -2.775 local terms energy: -261.161933 where: bonds (distance) C4'-P energy: -51.363 bonds (distance) P-C4' energy: -47.657 flat angles C4'-P-C4' energy: -64.057 flat angles P-C4'-P energy: -40.692 tors. eta vs tors. theta energy: -57.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -567.907569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.907569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.907569 (E_RNA) where: Base-Base interactions energy: -337.852 where: short stacking energy: -174.734 Base-Backbone interact. energy: -1.638 local terms energy: -228.417176 where: bonds (distance) C4'-P energy: -54.463 bonds (distance) P-C4' energy: -41.140 flat angles C4'-P-C4' energy: -63.469 flat angles P-C4'-P energy: -38.777 tors. eta vs tors. theta energy: -30.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -421.649075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.649075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.649075 (E_RNA) where: Base-Base interactions energy: -230.943 where: short stacking energy: -146.552 Base-Backbone interact. energy: 1.955 local terms energy: -192.661070 where: bonds (distance) C4'-P energy: -41.308 bonds (distance) P-C4' energy: -55.481 flat angles C4'-P-C4' energy: -52.343 flat angles P-C4'-P energy: -28.813 tors. eta vs tors. theta energy: -14.717 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: 1, replica: 4 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1332.558541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.558541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.558541 (E_RNA) where: Base-Base interactions energy: -928.258 where: short stacking energy: -391.541 Base-Backbone interact. energy: -2.156 local terms energy: -402.145483 where: bonds (distance) C4'-P energy: -69.332 bonds (distance) P-C4' energy: -80.642 flat angles C4'-P-C4' energy: -77.219 flat angles P-C4'-P energy: -56.454 tors. eta vs tors. theta energy: -118.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1267.093901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.093901 (E_RNA) where: Base-Base interactions energy: -899.544 where: short stacking energy: -377.420 Base-Backbone interact. energy: -0.793 local terms energy: -366.756766 where: bonds (distance) C4'-P energy: -71.181 bonds (distance) P-C4' energy: -64.834 flat angles C4'-P-C4' energy: -82.035 flat angles P-C4'-P energy: -45.648 tors. eta vs tors. theta energy: -103.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1181.763390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.763390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.763390 (E_RNA) where: Base-Base interactions energy: -831.830 where: short stacking energy: -375.143 Base-Backbone interact. energy: -0.223 local terms energy: -349.709894 where: bonds (distance) C4'-P energy: -55.231 bonds (distance) P-C4' energy: -63.906 flat angles C4'-P-C4' energy: -76.069 flat angles P-C4'-P energy: -52.112 tors. eta vs tors. theta energy: -102.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1157.155697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.155697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.155697 (E_RNA) where: Base-Base interactions energy: -819.693 where: short stacking energy: -332.780 Base-Backbone interact. energy: -0.938 local terms energy: -336.524638 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -61.625 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -86.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1101.888767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.888767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.888767 (E_RNA) where: Base-Base interactions energy: -782.216 where: short stacking energy: -326.080 Base-Backbone interact. energy: -1.273 local terms energy: -318.399641 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -64.374 flat angles C4'-P-C4' energy: -63.309 flat angles P-C4'-P energy: -41.849 tors. eta vs tors. theta energy: -89.310 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: 6, replica: 10 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1111.135680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.135680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.135680 (E_RNA) where: Base-Base interactions energy: -793.299 where: short stacking energy: -324.050 Base-Backbone interact. energy: 0.514 local terms energy: -318.351290 where: bonds (distance) C4'-P energy: -65.861 bonds (distance) P-C4' energy: -57.722 flat angles C4'-P-C4' energy: -60.434 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -90.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -939.587369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.587369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.587369 (E_RNA) where: Base-Base interactions energy: -657.019 where: short stacking energy: -263.990 Base-Backbone interact. energy: -1.959 local terms energy: -280.609001 where: bonds (distance) C4'-P energy: -49.423 bonds (distance) P-C4' energy: -59.462 flat angles C4'-P-C4' energy: -65.754 flat angles P-C4'-P energy: -46.392 tors. eta vs tors. theta energy: -59.578 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: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -773.569070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.569070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.569070 (E_RNA) where: Base-Base interactions energy: -500.864 where: short stacking energy: -237.518 Base-Backbone interact. energy: -0.065 local terms energy: -272.639362 where: bonds (distance) C4'-P energy: -61.629 bonds (distance) P-C4' energy: -54.556 flat angles C4'-P-C4' energy: -62.448 flat angles P-C4'-P energy: -35.919 tors. eta vs tors. theta energy: -58.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -564.525065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.525065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.525065 (E_RNA) where: Base-Base interactions energy: -340.024 where: short stacking energy: -160.466 Base-Backbone interact. energy: -2.042 local terms energy: -222.458877 where: bonds (distance) C4'-P energy: -51.743 bonds (distance) P-C4' energy: -53.360 flat angles C4'-P-C4' energy: -58.459 flat angles P-C4'-P energy: -30.097 tors. eta vs tors. theta energy: -28.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -408.052818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.052818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.052818 (E_RNA) where: Base-Base interactions energy: -227.308 where: short stacking energy: -118.591 Base-Backbone interact. energy: 0.979 local terms energy: -181.723685 where: bonds (distance) C4'-P energy: -50.747 bonds (distance) P-C4' energy: -57.066 flat angles C4'-P-C4' energy: -41.204 flat angles P-C4'-P energy: -26.926 tors. eta vs tors. theta energy: -5.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1330.427120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.427120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.427120 (E_RNA) where: Base-Base interactions energy: -953.718 where: short stacking energy: -403.813 Base-Backbone interact. energy: -1.658 local terms energy: -375.051489 where: bonds (distance) C4'-P energy: -65.237 bonds (distance) P-C4' energy: -69.489 flat angles C4'-P-C4' energy: -74.783 flat angles P-C4'-P energy: -54.888 tors. eta vs tors. theta energy: -110.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1278.466937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.466937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.466937 (E_RNA) where: Base-Base interactions energy: -892.939 where: short stacking energy: -379.606 Base-Backbone interact. energy: -0.295 local terms energy: -385.232567 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -68.197 flat angles C4'-P-C4' energy: -73.413 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -107.394 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: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1208.119971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.119971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.119971 (E_RNA) where: Base-Base interactions energy: -861.689 where: short stacking energy: -354.508 Base-Backbone interact. energy: -0.657 local terms energy: -345.774506 where: bonds (distance) C4'-P energy: -60.103 bonds (distance) P-C4' energy: -67.106 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -52.019 tors. eta vs tors. theta energy: -94.298 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: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1153.424424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.424424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.424424 (E_RNA) where: Base-Base interactions energy: -811.520 where: short stacking energy: -362.727 Base-Backbone interact. energy: -0.332 local terms energy: -341.572616 where: bonds (distance) C4'-P energy: -63.086 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -80.630 flat angles P-C4'-P energy: -43.045 tors. eta vs tors. theta energy: -96.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1099.039586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.039586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.039586 (E_RNA) where: Base-Base interactions energy: -762.686 where: short stacking energy: -313.403 Base-Backbone interact. energy: -0.799 local terms energy: -335.555038 where: bonds (distance) C4'-P energy: -55.939 bonds (distance) P-C4' energy: -66.424 flat angles C4'-P-C4' energy: -71.077 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -88.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1102.030628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.030628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.030628 (E_RNA) where: Base-Base interactions energy: -759.694 where: short stacking energy: -318.977 Base-Backbone interact. energy: -3.559 local terms energy: -338.777539 where: bonds (distance) C4'-P energy: -65.884 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -68.287 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -85.007 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: 5 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -950.775551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.775551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.775551 (E_RNA) where: Base-Base interactions energy: -649.534 where: short stacking energy: -257.450 Base-Backbone interact. energy: -1.640 local terms energy: -299.600701 where: bonds (distance) C4'-P energy: -63.760 bonds (distance) P-C4' energy: -66.452 flat angles C4'-P-C4' energy: -57.647 flat angles P-C4'-P energy: -42.634 tors. eta vs tors. theta energy: -69.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -778.092457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.092457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.092457 (E_RNA) where: Base-Base interactions energy: -515.296 where: short stacking energy: -227.886 Base-Backbone interact. energy: 0.601 local terms energy: -263.396705 where: bonds (distance) C4'-P energy: -49.343 bonds (distance) P-C4' energy: -58.267 flat angles C4'-P-C4' energy: -62.565 flat angles P-C4'-P energy: -44.426 tors. eta vs tors. theta energy: -48.795 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: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -531.421139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.421139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.421139 (E_RNA) where: Base-Base interactions energy: -323.951 where: short stacking energy: -179.071 Base-Backbone interact. energy: -1.537 local terms energy: -205.933672 where: bonds (distance) C4'-P energy: -47.476 bonds (distance) P-C4' energy: -48.457 flat angles C4'-P-C4' energy: -53.484 flat angles P-C4'-P energy: -33.467 tors. eta vs tors. theta energy: -23.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -394.586311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.586311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.586311 (E_RNA) where: Base-Base interactions energy: -206.083 where: short stacking energy: -135.130 Base-Backbone interact. energy: -0.096 local terms energy: -188.407043 where: bonds (distance) C4'-P energy: -50.418 bonds (distance) P-C4' energy: -51.330 flat angles C4'-P-C4' energy: -35.368 flat angles P-C4'-P energy: -42.366 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1323.881454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.881454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.881454 (E_RNA) where: Base-Base interactions energy: -938.471 where: short stacking energy: -390.068 Base-Backbone interact. energy: -1.731 local terms energy: -383.679797 where: bonds (distance) C4'-P energy: -73.769 bonds (distance) P-C4' energy: -70.658 flat angles C4'-P-C4' energy: -74.019 flat angles P-C4'-P energy: -53.691 tors. eta vs tors. theta energy: -111.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1281.616608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.616608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.616608 (E_RNA) where: Base-Base interactions energy: -908.508 where: short stacking energy: -397.472 Base-Backbone interact. energy: 1.031 local terms energy: -374.140171 where: bonds (distance) C4'-P energy: -71.671 bonds (distance) P-C4' energy: -67.639 flat angles C4'-P-C4' energy: -75.656 flat angles P-C4'-P energy: -50.830 tors. eta vs tors. theta energy: -108.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1213.769584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.769584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.769584 (E_RNA) where: Base-Base interactions energy: -860.128 where: short stacking energy: -362.257 Base-Backbone interact. energy: -1.791 local terms energy: -351.850755 where: bonds (distance) C4'-P energy: -67.058 bonds (distance) P-C4' energy: -65.398 flat angles C4'-P-C4' energy: -67.820 flat angles P-C4'-P energy: -50.638 tors. eta vs tors. theta energy: -100.936 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: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1131.343037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.343037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.343037 (E_RNA) where: Base-Base interactions energy: -787.654 where: short stacking energy: -341.316 Base-Backbone interact. energy: -1.042 local terms energy: -342.647046 where: bonds (distance) C4'-P energy: -60.708 bonds (distance) P-C4' energy: -67.760 flat angles C4'-P-C4' energy: -74.799 flat angles P-C4'-P energy: -50.188 tors. eta vs tors. theta energy: -89.192 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: 1 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1136.990763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.990763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.990763 (E_RNA) where: Base-Base interactions energy: -777.356 where: short stacking energy: -365.224 Base-Backbone interact. energy: -0.671 local terms energy: -358.963950 where: bonds (distance) C4'-P energy: -71.148 bonds (distance) P-C4' energy: -51.802 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -54.832 tors. eta vs tors. theta energy: -106.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1143.539492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.539492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.539492 (E_RNA) where: Base-Base interactions energy: -806.292 where: short stacking energy: -340.122 Base-Backbone interact. energy: 1.184 local terms energy: -338.431356 where: bonds (distance) C4'-P energy: -49.553 bonds (distance) P-C4' energy: -62.834 flat angles C4'-P-C4' energy: -75.122 flat angles P-C4'-P energy: -52.513 tors. eta vs tors. theta energy: -98.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -978.436050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.436050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.436050 (E_RNA) where: Base-Base interactions energy: -673.706 where: short stacking energy: -279.452 Base-Backbone interact. energy: -0.976 local terms energy: -303.753922 where: bonds (distance) C4'-P energy: -50.341 bonds (distance) P-C4' energy: -58.543 flat angles C4'-P-C4' energy: -69.661 flat angles P-C4'-P energy: -47.093 tors. eta vs tors. theta energy: -78.115 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: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -727.879587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.879587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.879587 (E_RNA) where: Base-Base interactions energy: -477.097 where: short stacking energy: -226.675 Base-Backbone interact. energy: -0.968 local terms energy: -249.814822 where: bonds (distance) C4'-P energy: -47.416 bonds (distance) P-C4' energy: -56.572 flat angles C4'-P-C4' energy: -63.210 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: -46.552 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: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -473.836032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.836032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.836032 (E_RNA) where: Base-Base interactions energy: -264.574 where: short stacking energy: -161.701 Base-Backbone interact. energy: -0.642 local terms energy: -208.619703 where: bonds (distance) C4'-P energy: -57.839 bonds (distance) P-C4' energy: -46.558 flat angles C4'-P-C4' energy: -48.398 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -15.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -424.325968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.325968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.325968 (E_RNA) where: Base-Base interactions energy: -212.601 where: short stacking energy: -119.625 Base-Backbone interact. energy: -1.535 local terms energy: -210.189346 where: bonds (distance) C4'-P energy: -64.090 bonds (distance) P-C4' energy: -57.928 flat angles C4'-P-C4' energy: -47.567 flat angles P-C4'-P energy: -34.187 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1341.655514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.655514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.655514 (E_RNA) where: Base-Base interactions energy: -948.941 where: short stacking energy: -381.973 Base-Backbone interact. energy: -1.806 local terms energy: -390.907914 where: bonds (distance) C4'-P energy: -62.272 bonds (distance) P-C4' energy: -77.076 flat angles C4'-P-C4' energy: -82.355 flat angles P-C4'-P energy: -59.558 tors. eta vs tors. theta energy: -109.647 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: 458 Temperature: 0.950000 Total energy: -1283.848643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.848643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.848643 (E_RNA) where: Base-Base interactions energy: -918.647 where: short stacking energy: -390.589 Base-Backbone interact. energy: 0.294 local terms energy: -365.494884 where: bonds (distance) C4'-P energy: -60.359 bonds (distance) P-C4' energy: -68.528 flat angles C4'-P-C4' energy: -77.040 flat angles P-C4'-P energy: -49.348 tors. eta vs tors. theta energy: -110.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1213.775336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.775336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.775336 (E_RNA) where: Base-Base interactions energy: -868.758 where: short stacking energy: -344.378 Base-Backbone interact. energy: -1.815 local terms energy: -343.203103 where: bonds (distance) C4'-P energy: -58.024 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -49.636 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: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1157.656717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.656717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.656717 (E_RNA) where: Base-Base interactions energy: -802.890 where: short stacking energy: -351.573 Base-Backbone interact. energy: 0.387 local terms energy: -355.153355 where: bonds (distance) C4'-P energy: -73.250 bonds (distance) P-C4' energy: -73.425 flat angles C4'-P-C4' energy: -71.362 flat angles P-C4'-P energy: -37.855 tors. eta vs tors. theta energy: -99.261 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: 10 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1154.282388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.282388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.282388 (E_RNA) where: Base-Base interactions energy: -793.341 where: short stacking energy: -344.046 Base-Backbone interact. energy: -0.829 local terms energy: -360.112273 where: bonds (distance) C4'-P energy: -64.340 bonds (distance) P-C4' energy: -67.237 flat angles C4'-P-C4' energy: -81.646 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: -90.341 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: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1099.524630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.524630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.524630 (E_RNA) where: Base-Base interactions energy: -762.637 where: short stacking energy: -334.561 Base-Backbone interact. energy: 1.145 local terms energy: -338.033349 where: bonds (distance) C4'-P energy: -52.236 bonds (distance) P-C4' energy: -66.585 flat angles C4'-P-C4' energy: -74.793 flat angles P-C4'-P energy: -49.944 tors. eta vs tors. theta energy: -94.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -934.004709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.004709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.004709 (E_RNA) where: Base-Base interactions energy: -665.895 where: short stacking energy: -270.959 Base-Backbone interact. energy: 1.560 local terms energy: -269.668854 where: bonds (distance) C4'-P energy: -53.309 bonds (distance) P-C4' energy: -52.354 flat angles C4'-P-C4' energy: -59.968 flat angles P-C4'-P energy: -40.914 tors. eta vs tors. theta energy: -63.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -750.774503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.774503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.774503 (E_RNA) where: Base-Base interactions energy: -495.770 where: short stacking energy: -231.190 Base-Backbone interact. energy: -1.068 local terms energy: -253.936337 where: bonds (distance) C4'-P energy: -51.885 bonds (distance) P-C4' energy: -51.190 flat angles C4'-P-C4' energy: -60.304 flat angles P-C4'-P energy: -43.933 tors. eta vs tors. theta energy: -46.625 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: 458 Temperature: 1.300000 Total energy: -432.129366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.129366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.129366 (E_RNA) where: Base-Base interactions energy: -245.983 where: short stacking energy: -134.159 Base-Backbone interact. energy: 2.074 local terms energy: -188.219580 where: bonds (distance) C4'-P energy: -59.484 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -57.216 flat angles P-C4'-P energy: -19.473 tors. eta vs tors. theta energy: 6.071 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: 10, replica: 3 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -440.109046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.109046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.109046 (E_RNA) where: Base-Base interactions energy: -239.660 where: short stacking energy: -141.632 Base-Backbone interact. energy: -1.745 local terms energy: -198.704014 where: bonds (distance) C4'-P energy: -54.942 bonds (distance) P-C4' energy: -50.666 flat angles C4'-P-C4' energy: -59.735 flat angles P-C4'-P energy: -18.522 tors. eta vs tors. theta energy: -14.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1347.667176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.667176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.667176 (E_RNA) where: Base-Base interactions energy: -958.278 where: short stacking energy: -391.027 Base-Backbone interact. energy: -3.341 local terms energy: -386.048359 where: bonds (distance) C4'-P energy: -66.695 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -82.835 flat angles P-C4'-P energy: -55.856 tors. eta vs tors. theta energy: -114.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1288.716649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.716649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.716649 (E_RNA) where: Base-Base interactions energy: -908.005 where: short stacking energy: -378.808 Base-Backbone interact. energy: -1.229 local terms energy: -379.482596 where: bonds (distance) C4'-P energy: -65.998 bonds (distance) P-C4' energy: -70.958 flat angles C4'-P-C4' energy: -87.692 flat angles P-C4'-P energy: -50.238 tors. eta vs tors. theta energy: -104.596 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: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1231.635530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.635530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.635530 (E_RNA) where: Base-Base interactions energy: -881.124 where: short stacking energy: -370.969 Base-Backbone interact. energy: -0.552 local terms energy: -349.959374 where: bonds (distance) C4'-P energy: -61.501 bonds (distance) P-C4' energy: -69.713 flat angles C4'-P-C4' energy: -76.817 flat angles P-C4'-P energy: -52.258 tors. eta vs tors. theta energy: -89.670 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: 10 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1175.626117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.626117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.626117 (E_RNA) where: Base-Base interactions energy: -829.346 where: short stacking energy: -360.047 Base-Backbone interact. energy: -0.783 local terms energy: -345.497133 where: bonds (distance) C4'-P energy: -50.716 bonds (distance) P-C4' energy: -69.845 flat angles C4'-P-C4' energy: -72.143 flat angles P-C4'-P energy: -47.207 tors. eta vs tors. theta energy: -105.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1121.918208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.918208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.918208 (E_RNA) where: Base-Base interactions energy: -783.822 where: short stacking energy: -333.561 Base-Backbone interact. energy: 1.929 local terms energy: -340.025153 where: bonds (distance) C4'-P energy: -66.151 bonds (distance) P-C4' energy: -66.387 flat angles C4'-P-C4' energy: -77.675 flat angles P-C4'-P energy: -41.309 tors. eta vs tors. theta energy: -88.504 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: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1090.867013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.867013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.867013 (E_RNA) where: Base-Base interactions energy: -766.171 where: short stacking energy: -321.634 Base-Backbone interact. energy: 2.520 local terms energy: -327.215376 where: bonds (distance) C4'-P energy: -59.559 bonds (distance) P-C4' energy: -58.375 flat angles C4'-P-C4' energy: -73.953 flat angles P-C4'-P energy: -43.952 tors. eta vs tors. theta energy: -91.377 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: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -983.720199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.720199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.720199 (E_RNA) where: Base-Base interactions energy: -685.546 where: short stacking energy: -283.675 Base-Backbone interact. energy: -1.310 local terms energy: -296.864342 where: bonds (distance) C4'-P energy: -52.344 bonds (distance) P-C4' energy: -62.423 flat angles C4'-P-C4' energy: -64.399 flat angles P-C4'-P energy: -45.051 tors. eta vs tors. theta energy: -72.647 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: 6 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -782.907968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.907968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.907968 (E_RNA) where: Base-Base interactions energy: -501.234 where: short stacking energy: -237.944 Base-Backbone interact. energy: 2.825 local terms energy: -284.499278 where: bonds (distance) C4'-P energy: -61.746 bonds (distance) P-C4' energy: -68.773 flat angles C4'-P-C4' energy: -63.549 flat angles P-C4'-P energy: -29.275 tors. eta vs tors. theta energy: -61.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -492.808015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.808015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.808015 (E_RNA) where: Base-Base interactions energy: -263.575 where: short stacking energy: -135.749 Base-Backbone interact. energy: 2.423 local terms energy: -231.655374 where: bonds (distance) C4'-P energy: -59.038 bonds (distance) P-C4' energy: -74.763 flat angles C4'-P-C4' energy: -52.178 flat angles P-C4'-P energy: -29.587 tors. eta vs tors. theta energy: -16.089 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: 3 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -549.433109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.433109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.433109 (E_RNA) where: Base-Base interactions energy: -329.411 where: short stacking energy: -180.465 Base-Backbone interact. energy: 0.784 local terms energy: -220.806288 where: bonds (distance) C4'-P energy: -54.162 bonds (distance) P-C4' energy: -36.229 flat angles C4'-P-C4' energy: -57.823 flat angles P-C4'-P energy: -44.496 tors. eta vs tors. theta energy: -28.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1348.658590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.658590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.658590 (E_RNA) where: Base-Base interactions energy: -938.501 where: short stacking energy: -401.161 Base-Backbone interact. energy: -0.498 local terms energy: -409.660148 where: bonds (distance) C4'-P energy: -76.385 bonds (distance) P-C4' energy: -73.899 flat angles C4'-P-C4' energy: -82.422 flat angles P-C4'-P energy: -61.434 tors. eta vs tors. theta energy: -115.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1285.621155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.621155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.621155 (E_RNA) where: Base-Base interactions energy: -917.631 where: short stacking energy: -389.165 Base-Backbone interact. energy: -0.436 local terms energy: -367.553988 where: bonds (distance) C4'-P energy: -72.545 bonds (distance) P-C4' energy: -63.579 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -49.253 tors. eta vs tors. theta energy: -106.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1210.197284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.197284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.197284 (E_RNA) where: Base-Base interactions energy: -867.695 where: short stacking energy: -375.904 Base-Backbone interact. energy: 4.085 local terms energy: -346.587311 where: bonds (distance) C4'-P energy: -58.287 bonds (distance) P-C4' energy: -70.187 flat angles C4'-P-C4' energy: -75.380 flat angles P-C4'-P energy: -43.909 tors. eta vs tors. theta energy: -98.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1162.120553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.120553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.120553 (E_RNA) where: Base-Base interactions energy: -823.944 where: short stacking energy: -348.363 Base-Backbone interact. energy: -0.941 local terms energy: -337.235889 where: bonds (distance) C4'-P energy: -58.543 bonds (distance) P-C4' energy: -67.652 flat angles C4'-P-C4' energy: -68.407 flat angles P-C4'-P energy: -39.487 tors. eta vs tors. theta energy: -103.148 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: 460 Temperature: 1.100000 Total energy: -1151.492032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.492032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.492032 (E_RNA) where: Base-Base interactions energy: -803.707 where: short stacking energy: -353.066 Base-Backbone interact. energy: -1.216 local terms energy: -346.568635 where: bonds (distance) C4'-P energy: -52.174 bonds (distance) P-C4' energy: -69.018 flat angles C4'-P-C4' energy: -74.704 flat angles P-C4'-P energy: -42.010 tors. eta vs tors. theta energy: -108.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1126.194387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.194387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.194387 (E_RNA) where: Base-Base interactions energy: -797.615 where: short stacking energy: -327.187 Base-Backbone interact. energy: 1.048 local terms energy: -329.627267 where: bonds (distance) C4'-P energy: -62.555 bonds (distance) P-C4' energy: -69.398 flat angles C4'-P-C4' energy: -71.103 flat angles P-C4'-P energy: -45.518 tors. eta vs tors. theta energy: -81.054 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: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -970.293386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.293386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.293386 (E_RNA) where: Base-Base interactions energy: -663.233 where: short stacking energy: -286.343 Base-Backbone interact. energy: 0.008 local terms energy: -307.068051 where: bonds (distance) C4'-P energy: -66.153 bonds (distance) P-C4' energy: -64.682 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -39.235 tors. eta vs tors. theta energy: -74.580 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: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -823.987720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.987720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.987720 (E_RNA) where: Base-Base interactions energy: -543.519 where: short stacking energy: -249.556 Base-Backbone interact. energy: 0.124 local terms energy: -280.592174 where: bonds (distance) C4'-P energy: -61.273 bonds (distance) P-C4' energy: -48.698 flat angles C4'-P-C4' energy: -64.427 flat angles P-C4'-P energy: -43.177 tors. eta vs tors. theta energy: -63.017 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: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -646.361708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.361708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.361708 (E_RNA) where: Base-Base interactions energy: -396.438 where: short stacking energy: -191.066 Base-Backbone interact. energy: -0.520 local terms energy: -249.403944 where: bonds (distance) C4'-P energy: -60.714 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -44.140 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: -44.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -473.567951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.567951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.567951 (E_RNA) where: Base-Base interactions energy: -267.044 where: short stacking energy: -139.173 Base-Backbone interact. energy: 0.411 local terms energy: -206.934088 where: bonds (distance) C4'-P energy: -52.140 bonds (distance) P-C4' energy: -67.254 flat angles C4'-P-C4' energy: -40.219 flat angles P-C4'-P energy: -31.895 tors. eta vs tors. theta energy: -15.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1363.226299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.226299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.226299 (E_RNA) where: Base-Base interactions energy: -950.914 where: short stacking energy: -399.512 Base-Backbone interact. energy: -1.145 local terms energy: -411.166358 where: bonds (distance) C4'-P energy: -75.301 bonds (distance) P-C4' energy: -77.155 flat angles C4'-P-C4' energy: -83.762 flat angles P-C4'-P energy: -57.959 tors. eta vs tors. theta energy: -116.989 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: 461 Temperature: 0.950000 Total energy: -1282.910547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.910547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.910547 (E_RNA) where: Base-Base interactions energy: -909.296 where: short stacking energy: -386.942 Base-Backbone interact. energy: 0.089 local terms energy: -373.703380 where: bonds (distance) C4'-P energy: -70.079 bonds (distance) P-C4' energy: -66.532 flat angles C4'-P-C4' energy: -78.817 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -109.412 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: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1234.293846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.293846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.293846 (E_RNA) where: Base-Base interactions energy: -894.788 where: short stacking energy: -349.381 Base-Backbone interact. energy: -0.972 local terms energy: -338.534379 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -71.665 flat angles C4'-P-C4' energy: -72.336 flat angles P-C4'-P energy: -48.458 tors. eta vs tors. theta energy: -83.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1191.582964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.582964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.582964 (E_RNA) where: Base-Base interactions energy: -854.767 where: short stacking energy: -368.984 Base-Backbone interact. energy: -0.635 local terms energy: -336.180804 where: bonds (distance) C4'-P energy: -64.394 bonds (distance) P-C4' energy: -54.888 flat angles C4'-P-C4' energy: -70.469 flat angles P-C4'-P energy: -46.169 tors. eta vs tors. theta energy: -100.261 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: 1 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1102.106750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.106750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.106750 (E_RNA) where: Base-Base interactions energy: -776.882 where: short stacking energy: -343.240 Base-Backbone interact. energy: -0.512 local terms energy: -324.712896 where: bonds (distance) C4'-P energy: -61.176 bonds (distance) P-C4' energy: -52.781 flat angles C4'-P-C4' energy: -70.274 flat angles P-C4'-P energy: -49.390 tors. eta vs tors. theta energy: -91.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1089.578392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.578392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.578392 (E_RNA) where: Base-Base interactions energy: -759.139 where: short stacking energy: -309.797 Base-Backbone interact. energy: 1.528 local terms energy: -331.967098 where: bonds (distance) C4'-P energy: -58.700 bonds (distance) P-C4' energy: -57.665 flat angles C4'-P-C4' energy: -69.125 flat angles P-C4'-P energy: -54.657 tors. eta vs tors. theta energy: -91.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1007.647886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.647886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.647886 (E_RNA) where: Base-Base interactions energy: -705.671 where: short stacking energy: -290.609 Base-Backbone interact. energy: -1.214 local terms energy: -300.762840 where: bonds (distance) C4'-P energy: -66.423 bonds (distance) P-C4' energy: -61.847 flat angles C4'-P-C4' energy: -57.706 flat angles P-C4'-P energy: -41.882 tors. eta vs tors. theta energy: -72.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -865.167751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.167751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.167751 (E_RNA) where: Base-Base interactions energy: -590.519 where: short stacking energy: -270.835 Base-Backbone interact. energy: 1.029 local terms energy: -275.678189 where: bonds (distance) C4'-P energy: -70.451 bonds (distance) P-C4' energy: -58.317 flat angles C4'-P-C4' energy: -52.995 flat angles P-C4'-P energy: -38.731 tors. eta vs tors. theta energy: -55.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -610.413524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.413524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.413524 (E_RNA) where: Base-Base interactions energy: -370.661 where: short stacking energy: -182.853 Base-Backbone interact. energy: -1.782 local terms energy: -237.970895 where: bonds (distance) C4'-P energy: -50.202 bonds (distance) P-C4' energy: -65.515 flat angles C4'-P-C4' energy: -58.540 flat angles P-C4'-P energy: -31.364 tors. eta vs tors. theta energy: -32.350 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: 2 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -467.132064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.132064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.132064 (E_RNA) where: Base-Base interactions energy: -262.737 where: short stacking energy: -146.115 Base-Backbone interact. energy: 1.590 local terms energy: -205.984319 where: bonds (distance) C4'-P energy: -47.130 bonds (distance) P-C4' energy: -49.481 flat angles C4'-P-C4' energy: -53.906 flat angles P-C4'-P energy: -37.747 tors. eta vs tors. theta energy: -17.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1342.928506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.928506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.928506 (E_RNA) where: Base-Base interactions energy: -945.535 where: short stacking energy: -388.929 Base-Backbone interact. energy: -1.364 local terms energy: -396.028821 where: bonds (distance) C4'-P energy: -73.866 bonds (distance) P-C4' energy: -67.415 flat angles C4'-P-C4' energy: -81.689 flat angles P-C4'-P energy: -62.757 tors. eta vs tors. theta energy: -110.302 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: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1260.328440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.328440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.328440 (E_RNA) where: Base-Base interactions energy: -889.225 where: short stacking energy: -392.270 Base-Backbone interact. energy: -0.499 local terms energy: -370.604310 where: bonds (distance) C4'-P energy: -65.334 bonds (distance) P-C4' energy: -75.050 flat angles C4'-P-C4' energy: -79.597 flat angles P-C4'-P energy: -44.204 tors. eta vs tors. theta energy: -106.421 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: 7 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1236.454806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.454806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.454806 (E_RNA) where: Base-Base interactions energy: -876.828 where: short stacking energy: -351.202 Base-Backbone interact. energy: -1.246 local terms energy: -358.380194 where: bonds (distance) C4'-P energy: -65.000 bonds (distance) P-C4' energy: -68.166 flat angles C4'-P-C4' energy: -83.399 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -88.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1180.229533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.229533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.229533 (E_RNA) where: Base-Base interactions energy: -830.291 where: short stacking energy: -347.389 Base-Backbone interact. energy: -1.426 local terms energy: -348.512666 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -60.019 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -56.598 tors. eta vs tors. theta energy: -97.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1094.620024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.620024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.620024 (E_RNA) where: Base-Base interactions energy: -760.588 where: short stacking energy: -345.321 Base-Backbone interact. energy: -0.742 local terms energy: -333.290215 where: bonds (distance) C4'-P energy: -58.461 bonds (distance) P-C4' energy: -62.744 flat angles C4'-P-C4' energy: -65.208 flat angles P-C4'-P energy: -50.324 tors. eta vs tors. theta energy: -96.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1107.710843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.710843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.710843 (E_RNA) where: Base-Base interactions energy: -779.526 where: short stacking energy: -332.731 Base-Backbone interact. energy: -0.948 local terms energy: -327.236910 where: bonds (distance) C4'-P energy: -62.635 bonds (distance) P-C4' energy: -64.964 flat angles C4'-P-C4' energy: -65.962 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -91.145 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: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -973.916078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.916078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.916078 (E_RNA) where: Base-Base interactions energy: -689.923 where: short stacking energy: -283.692 Base-Backbone interact. energy: 2.059 local terms energy: -286.052248 where: bonds (distance) C4'-P energy: -36.802 bonds (distance) P-C4' energy: -65.078 flat angles C4'-P-C4' energy: -64.367 flat angles P-C4'-P energy: -43.137 tors. eta vs tors. theta energy: -76.668 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: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -911.996356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.996356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.996356 (E_RNA) where: Base-Base interactions energy: -625.262 where: short stacking energy: -269.244 Base-Backbone interact. energy: 0.520 local terms energy: -287.253767 where: bonds (distance) C4'-P energy: -59.463 bonds (distance) P-C4' energy: -57.315 flat angles C4'-P-C4' energy: -66.985 flat angles P-C4'-P energy: -34.112 tors. eta vs tors. theta energy: -69.379 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: 9, replica: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -565.376864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.376864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.376864 (E_RNA) where: Base-Base interactions energy: -340.449 where: short stacking energy: -174.731 Base-Backbone interact. energy: -1.259 local terms energy: -223.669424 where: bonds (distance) C4'-P energy: -47.832 bonds (distance) P-C4' energy: -65.994 flat angles C4'-P-C4' energy: -52.686 flat angles P-C4'-P energy: -31.640 tors. eta vs tors. theta energy: -25.516 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: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -409.594734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.594734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.594734 (E_RNA) where: Base-Base interactions energy: -194.991 where: short stacking energy: -124.015 Base-Backbone interact. energy: -1.366 local terms energy: -213.237973 where: bonds (distance) C4'-P energy: -59.270 bonds (distance) P-C4' energy: -55.820 flat angles C4'-P-C4' energy: -64.518 flat angles P-C4'-P energy: -31.295 tors. eta vs tors. theta energy: -2.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1347.244158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.244158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.244158 (E_RNA) where: Base-Base interactions energy: -943.766 where: short stacking energy: -390.246 Base-Backbone interact. energy: -2.548 local terms energy: -400.930100 where: bonds (distance) C4'-P energy: -74.335 bonds (distance) P-C4' energy: -70.311 flat angles C4'-P-C4' energy: -81.446 flat angles P-C4'-P energy: -63.263 tors. eta vs tors. theta energy: -111.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1266.844186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.844186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.844186 (E_RNA) where: Base-Base interactions energy: -897.353 where: short stacking energy: -367.835 Base-Backbone interact. energy: -0.520 local terms energy: -368.970582 where: bonds (distance) C4'-P energy: -68.924 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -84.472 flat angles P-C4'-P energy: -57.179 tors. eta vs tors. theta energy: -92.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1265.719849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.719849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.719849 (E_RNA) where: Base-Base interactions energy: -907.202 where: short stacking energy: -369.709 Base-Backbone interact. energy: -0.154 local terms energy: -358.364096 where: bonds (distance) C4'-P energy: -68.502 bonds (distance) P-C4' energy: -59.238 flat angles C4'-P-C4' energy: -75.199 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -104.670 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: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1181.767813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.767813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.767813 (E_RNA) where: Base-Base interactions energy: -838.384 where: short stacking energy: -363.268 Base-Backbone interact. energy: 2.231 local terms energy: -345.614682 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -75.879 flat angles C4'-P-C4' energy: -59.811 flat angles P-C4'-P energy: -47.275 tors. eta vs tors. theta energy: -96.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1145.991333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.991333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.991333 (E_RNA) where: Base-Base interactions energy: -817.661 where: short stacking energy: -359.978 Base-Backbone interact. energy: -1.246 local terms energy: -327.084591 where: bonds (distance) C4'-P energy: -56.928 bonds (distance) P-C4' energy: -46.038 flat angles C4'-P-C4' energy: -79.943 flat angles P-C4'-P energy: -53.396 tors. eta vs tors. theta energy: -90.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1102.858606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.858606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.858606 (E_RNA) where: Base-Base interactions energy: -758.664 where: short stacking energy: -332.194 Base-Backbone interact. energy: -1.179 local terms energy: -343.015288 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -64.239 flat angles C4'-P-C4' energy: -75.186 flat angles P-C4'-P energy: -45.300 tors. eta vs tors. theta energy: -94.286 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -969.263715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.263715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.263715 (E_RNA) where: Base-Base interactions energy: -662.815 where: short stacking energy: -277.191 Base-Backbone interact. energy: -1.393 local terms energy: -305.055309 where: bonds (distance) C4'-P energy: -61.984 bonds (distance) P-C4' energy: -60.230 flat angles C4'-P-C4' energy: -68.902 flat angles P-C4'-P energy: -43.774 tors. eta vs tors. theta energy: -70.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -905.730205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.730205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.730205 (E_RNA) where: Base-Base interactions energy: -608.410 where: short stacking energy: -268.452 Base-Backbone interact. energy: -0.689 local terms energy: -296.631302 where: bonds (distance) C4'-P energy: -66.873 bonds (distance) P-C4' energy: -59.676 flat angles C4'-P-C4' energy: -66.266 flat angles P-C4'-P energy: -28.648 tors. eta vs tors. theta energy: -75.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -629.545577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.545577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.545577 (E_RNA) where: Base-Base interactions energy: -403.963 where: short stacking energy: -201.520 Base-Backbone interact. energy: 7.037 local terms energy: -232.619306 where: bonds (distance) C4'-P energy: -50.410 bonds (distance) P-C4' energy: -51.275 flat angles C4'-P-C4' energy: -62.582 flat angles P-C4'-P energy: -30.907 tors. eta vs tors. theta energy: -37.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -460.308187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.308187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.308187 (E_RNA) where: Base-Base interactions energy: -232.964 where: short stacking energy: -133.215 Base-Backbone interact. energy: -2.085 local terms energy: -225.259004 where: bonds (distance) C4'-P energy: -65.451 bonds (distance) P-C4' energy: -60.623 flat angles C4'-P-C4' energy: -53.090 flat angles P-C4'-P energy: -36.830 tors. eta vs tors. theta energy: -9.264 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: 1, replica: 4 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1355.011493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.011493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.011493 (E_RNA) where: Base-Base interactions energy: -957.619 where: short stacking energy: -396.725 Base-Backbone interact. energy: -1.222 local terms energy: -396.170916 where: bonds (distance) C4'-P energy: -72.120 bonds (distance) P-C4' energy: -74.588 flat angles C4'-P-C4' energy: -82.618 flat angles P-C4'-P energy: -53.704 tors. eta vs tors. theta energy: -113.141 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: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1272.543076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.543076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.543076 (E_RNA) where: Base-Base interactions energy: -920.038 where: short stacking energy: -376.261 Base-Backbone interact. energy: 1.913 local terms energy: -354.418024 where: bonds (distance) C4'-P energy: -63.696 bonds (distance) P-C4' energy: -68.369 flat angles C4'-P-C4' energy: -77.780 flat angles P-C4'-P energy: -46.833 tors. eta vs tors. theta energy: -97.740 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: 464 Temperature: 1.000000 Total energy: -1243.779561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.779561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.779561 (E_RNA) where: Base-Base interactions energy: -882.966 where: short stacking energy: -374.474 Base-Backbone interact. energy: -0.599 local terms energy: -360.214601 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -69.454 flat angles C4'-P-C4' energy: -73.919 flat angles P-C4'-P energy: -56.012 tors. eta vs tors. theta energy: -102.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1170.038961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.038961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.038961 (E_RNA) where: Base-Base interactions energy: -824.662 where: short stacking energy: -341.258 Base-Backbone interact. energy: -1.018 local terms energy: -344.359008 where: bonds (distance) C4'-P energy: -66.261 bonds (distance) P-C4' energy: -59.235 flat angles C4'-P-C4' energy: -75.139 flat angles P-C4'-P energy: -47.574 tors. eta vs tors. theta energy: -96.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1120.984802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.984802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.984802 (E_RNA) where: Base-Base interactions energy: -794.819 where: short stacking energy: -316.906 Base-Backbone interact. energy: -1.292 local terms energy: -324.873523 where: bonds (distance) C4'-P energy: -54.941 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -74.138 flat angles P-C4'-P energy: -55.228 tors. eta vs tors. theta energy: -83.847 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: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1098.386486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.386486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.386486 (E_RNA) where: Base-Base interactions energy: -777.997 where: short stacking energy: -339.034 Base-Backbone interact. energy: 0.268 local terms energy: -320.657249 where: bonds (distance) C4'-P energy: -51.181 bonds (distance) P-C4' energy: -56.124 flat angles C4'-P-C4' energy: -69.868 flat angles P-C4'-P energy: -50.709 tors. eta vs tors. theta energy: -92.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -987.658328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.658328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.658328 (E_RNA) where: Base-Base interactions energy: -693.960 where: short stacking energy: -302.930 Base-Backbone interact. energy: -3.275 local terms energy: -290.423537 where: bonds (distance) C4'-P energy: -36.912 bonds (distance) P-C4' energy: -51.574 flat angles C4'-P-C4' energy: -74.533 flat angles P-C4'-P energy: -41.556 tors. eta vs tors. theta energy: -85.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -914.347963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.347963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.347963 (E_RNA) where: Base-Base interactions energy: -628.328 where: short stacking energy: -287.639 Base-Backbone interact. energy: -1.435 local terms energy: -284.584455 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -49.255 flat angles C4'-P-C4' energy: -69.497 flat angles P-C4'-P energy: -40.407 tors. eta vs tors. theta energy: -70.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -567.794471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.794471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.794471 (E_RNA) where: Base-Base interactions energy: -331.118 where: short stacking energy: -179.187 Base-Backbone interact. energy: 2.808 local terms energy: -239.484326 where: bonds (distance) C4'-P energy: -58.581 bonds (distance) P-C4' energy: -63.011 flat angles C4'-P-C4' energy: -57.982 flat angles P-C4'-P energy: -33.648 tors. eta vs tors. theta energy: -26.263 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: 10, replica: 2 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -420.557133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.557133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.557133 (E_RNA) where: Base-Base interactions energy: -222.903 where: short stacking energy: -122.714 Base-Backbone interact. energy: 1.679 local terms energy: -199.333412 where: bonds (distance) C4'-P energy: -58.629 bonds (distance) P-C4' energy: -52.799 flat angles C4'-P-C4' energy: -43.219 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -3.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1368.258987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.258987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.258987 (E_RNA) where: Base-Base interactions energy: -975.720 where: short stacking energy: -398.912 Base-Backbone interact. energy: -1.712 local terms energy: -390.826396 where: bonds (distance) C4'-P energy: -72.673 bonds (distance) P-C4' energy: -65.552 flat angles C4'-P-C4' energy: -78.712 flat angles P-C4'-P energy: -58.109 tors. eta vs tors. theta energy: -115.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1269.578133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.578133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.578133 (E_RNA) where: Base-Base interactions energy: -905.725 where: short stacking energy: -361.656 Base-Backbone interact. energy: -0.155 local terms energy: -363.697864 where: bonds (distance) C4'-P energy: -70.925 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -77.146 flat angles P-C4'-P energy: -48.202 tors. eta vs tors. theta energy: -90.813 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: 465 Temperature: 1.000000 Total energy: -1247.241957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.241957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.241957 (E_RNA) where: Base-Base interactions energy: -879.866 where: short stacking energy: -369.080 Base-Backbone interact. energy: -0.697 local terms energy: -366.679398 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -70.269 flat angles C4'-P-C4' energy: -72.983 flat angles P-C4'-P energy: -41.898 tors. eta vs tors. theta energy: -114.166 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: 10 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1165.889466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.889466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.889466 (E_RNA) where: Base-Base interactions energy: -825.909 where: short stacking energy: -341.267 Base-Backbone interact. energy: -1.872 local terms energy: -338.108431 where: bonds (distance) C4'-P energy: -71.859 bonds (distance) P-C4' energy: -60.692 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -38.556 tors. eta vs tors. theta energy: -93.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1120.443533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.443533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.443533 (E_RNA) where: Base-Base interactions energy: -782.187 where: short stacking energy: -314.060 Base-Backbone interact. energy: -2.280 local terms energy: -335.977076 where: bonds (distance) C4'-P energy: -53.635 bonds (distance) P-C4' energy: -68.190 flat angles C4'-P-C4' energy: -78.264 flat angles P-C4'-P energy: -49.359 tors. eta vs tors. theta energy: -86.529 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: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1099.207991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.207991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.207991 (E_RNA) where: Base-Base interactions energy: -767.506 where: short stacking energy: -336.919 Base-Backbone interact. energy: 0.330 local terms energy: -332.032591 where: bonds (distance) C4'-P energy: -60.598 bonds (distance) P-C4' energy: -55.156 flat angles C4'-P-C4' energy: -72.154 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -96.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -952.297778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.297778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.297778 (E_RNA) where: Base-Base interactions energy: -669.459 where: short stacking energy: -290.085 Base-Backbone interact. energy: -2.109 local terms energy: -280.730201 where: bonds (distance) C4'-P energy: -46.174 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -58.626 flat angles P-C4'-P energy: -35.413 tors. eta vs tors. theta energy: -71.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -890.483689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.483689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.483689 (E_RNA) where: Base-Base interactions energy: -606.745 where: short stacking energy: -257.478 Base-Backbone interact. energy: -1.324 local terms energy: -282.415014 where: bonds (distance) C4'-P energy: -51.564 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -61.870 flat angles P-C4'-P energy: -42.628 tors. eta vs tors. theta energy: -67.423 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: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -529.196322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.196322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.196322 (E_RNA) where: Base-Base interactions energy: -278.425 where: short stacking energy: -163.229 Base-Backbone interact. energy: -1.539 local terms energy: -249.232080 where: bonds (distance) C4'-P energy: -54.413 bonds (distance) P-C4' energy: -57.906 flat angles C4'-P-C4' energy: -69.847 flat angles P-C4'-P energy: -42.113 tors. eta vs tors. theta energy: -24.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -411.568498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.568498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.568498 (E_RNA) where: Base-Base interactions energy: -208.734 where: short stacking energy: -111.979 Base-Backbone interact. energy: -2.284 local terms energy: -200.550762 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -58.063 flat angles C4'-P-C4' energy: -51.408 flat angles P-C4'-P energy: -30.221 tors. eta vs tors. theta energy: -3.061 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: 1, replica: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1359.046478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.046478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.046478 (E_RNA) where: Base-Base interactions energy: -954.325 where: short stacking energy: -401.602 Base-Backbone interact. energy: -2.161 local terms energy: -402.559725 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -68.526 flat angles C4'-P-C4' energy: -84.691 flat angles P-C4'-P energy: -54.797 tors. eta vs tors. theta energy: -126.152 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: 7 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1257.557715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.557715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.557715 (E_RNA) where: Base-Base interactions energy: -902.086 where: short stacking energy: -374.661 Base-Backbone interact. energy: -1.174 local terms energy: -354.297909 where: bonds (distance) C4'-P energy: -64.051 bonds (distance) P-C4' energy: -72.401 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -53.628 tors. eta vs tors. theta energy: -86.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1246.119062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.119062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.119062 (E_RNA) where: Base-Base interactions energy: -892.973 where: short stacking energy: -380.724 Base-Backbone interact. energy: -1.679 local terms energy: -351.466757 where: bonds (distance) C4'-P energy: -58.576 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -49.879 tors. eta vs tors. theta energy: -104.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1206.078130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.078130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.078130 (E_RNA) where: Base-Base interactions energy: -854.102 where: short stacking energy: -363.044 Base-Backbone interact. energy: -2.138 local terms energy: -349.838177 where: bonds (distance) C4'-P energy: -64.084 bonds (distance) P-C4' energy: -55.099 flat angles C4'-P-C4' energy: -69.814 flat angles P-C4'-P energy: -55.915 tors. eta vs tors. theta energy: -104.927 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: 1 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1124.663019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.663019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.663019 (E_RNA) where: Base-Base interactions energy: -786.244 where: short stacking energy: -328.692 Base-Backbone interact. energy: -0.251 local terms energy: -338.167505 where: bonds (distance) C4'-P energy: -58.760 bonds (distance) P-C4' energy: -71.956 flat angles C4'-P-C4' energy: -73.772 flat angles P-C4'-P energy: -51.748 tors. eta vs tors. theta energy: -81.931 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: 8 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1103.814361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.814361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.814361 (E_RNA) where: Base-Base interactions energy: -778.504 where: short stacking energy: -315.995 Base-Backbone interact. energy: -1.630 local terms energy: -323.680375 where: bonds (distance) C4'-P energy: -68.373 bonds (distance) P-C4' energy: -50.606 flat angles C4'-P-C4' energy: -59.970 flat angles P-C4'-P energy: -54.205 tors. eta vs tors. theta energy: -90.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -940.313321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.313321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.313321 (E_RNA) where: Base-Base interactions energy: -659.518 where: short stacking energy: -264.105 Base-Backbone interact. energy: -0.781 local terms energy: -280.014847 where: bonds (distance) C4'-P energy: -55.577 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -59.579 flat angles P-C4'-P energy: -43.939 tors. eta vs tors. theta energy: -65.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -869.955224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.955224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.955224 (E_RNA) where: Base-Base interactions energy: -604.157 where: short stacking energy: -259.324 Base-Backbone interact. energy: -0.224 local terms energy: -265.574313 where: bonds (distance) C4'-P energy: -39.024 bonds (distance) P-C4' energy: -80.200 flat angles C4'-P-C4' energy: -41.089 flat angles P-C4'-P energy: -40.199 tors. eta vs tors. theta energy: -65.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -620.585544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.585544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.585544 (E_RNA) where: Base-Base interactions energy: -358.906 where: short stacking energy: -198.473 Base-Backbone interact. energy: 3.088 local terms energy: -264.768167 where: bonds (distance) C4'-P energy: -59.142 bonds (distance) P-C4' energy: -59.913 flat angles C4'-P-C4' energy: -65.279 flat angles P-C4'-P energy: -44.979 tors. eta vs tors. theta energy: -35.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -399.481468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.481468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.481468 (E_RNA) where: Base-Base interactions energy: -215.062 where: short stacking energy: -147.229 Base-Backbone interact. energy: 0.632 local terms energy: -185.051629 where: bonds (distance) C4'-P energy: -45.437 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -42.812 flat angles P-C4'-P energy: -23.245 tors. eta vs tors. theta energy: -12.590 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: 467 Temperature: 0.900000 Total energy: -1346.741485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.741485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.741485 (E_RNA) where: Base-Base interactions energy: -952.891 where: short stacking energy: -371.249 Base-Backbone interact. energy: -1.120 local terms energy: -392.730918 where: bonds (distance) C4'-P energy: -75.292 bonds (distance) P-C4' energy: -73.154 flat angles C4'-P-C4' energy: -77.267 flat angles P-C4'-P energy: -54.259 tors. eta vs tors. theta energy: -112.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1265.960562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.960562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.960562 (E_RNA) where: Base-Base interactions energy: -892.944 where: short stacking energy: -376.747 Base-Backbone interact. energy: -0.956 local terms energy: -372.060955 where: bonds (distance) C4'-P energy: -68.612 bonds (distance) P-C4' energy: -68.532 flat angles C4'-P-C4' energy: -77.260 flat angles P-C4'-P energy: -55.324 tors. eta vs tors. theta energy: -102.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1251.486007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.486007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.486007 (E_RNA) where: Base-Base interactions energy: -874.544 where: short stacking energy: -357.277 Base-Backbone interact. energy: -0.424 local terms energy: -376.517994 where: bonds (distance) C4'-P energy: -71.942 bonds (distance) P-C4' energy: -73.125 flat angles C4'-P-C4' energy: -74.750 flat angles P-C4'-P energy: -56.867 tors. eta vs tors. theta energy: -99.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1193.594977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.594977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.594977 (E_RNA) where: Base-Base interactions energy: -857.287 where: short stacking energy: -369.625 Base-Backbone interact. energy: -0.300 local terms energy: -336.008485 where: bonds (distance) C4'-P energy: -55.635 bonds (distance) P-C4' energy: -60.516 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -49.297 tors. eta vs tors. theta energy: -103.035 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: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1135.705503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.705503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.705503 (E_RNA) where: Base-Base interactions energy: -779.360 where: short stacking energy: -347.205 Base-Backbone interact. energy: -1.676 local terms energy: -354.670126 where: bonds (distance) C4'-P energy: -61.317 bonds (distance) P-C4' energy: -70.000 flat angles C4'-P-C4' energy: -75.314 flat angles P-C4'-P energy: -48.625 tors. eta vs tors. theta energy: -99.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1110.943628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.943628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.943628 (E_RNA) where: Base-Base interactions energy: -778.626 where: short stacking energy: -325.231 Base-Backbone interact. energy: 2.540 local terms energy: -334.857031 where: bonds (distance) C4'-P energy: -57.826 bonds (distance) P-C4' energy: -62.792 flat angles C4'-P-C4' energy: -73.942 flat angles P-C4'-P energy: -51.391 tors. eta vs tors. theta energy: -88.906 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: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -943.429731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.429731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.429731 (E_RNA) where: Base-Base interactions energy: -658.616 where: short stacking energy: -270.511 Base-Backbone interact. energy: -0.215 local terms energy: -284.599615 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -66.385 flat angles P-C4'-P energy: -38.223 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: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -882.917797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.917797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.917797 (E_RNA) where: Base-Base interactions energy: -612.534 where: short stacking energy: -267.110 Base-Backbone interact. energy: -0.838 local terms energy: -269.545549 where: bonds (distance) C4'-P energy: -61.651 bonds (distance) P-C4' energy: -52.909 flat angles C4'-P-C4' energy: -54.257 flat angles P-C4'-P energy: -34.692 tors. eta vs tors. theta energy: -66.037 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: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -617.918754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.918754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.918754 (E_RNA) where: Base-Base interactions energy: -354.832 where: short stacking energy: -218.237 Base-Backbone interact. energy: -0.536 local terms energy: -262.551444 where: bonds (distance) C4'-P energy: -50.752 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -56.781 flat angles P-C4'-P energy: -41.880 tors. eta vs tors. theta energy: -51.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -449.427284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.427284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.427284 (E_RNA) where: Base-Base interactions energy: -226.214 where: short stacking energy: -114.835 Base-Backbone interact. energy: 1.819 local terms energy: -225.032220 where: bonds (distance) C4'-P energy: -54.890 bonds (distance) P-C4' energy: -67.780 flat angles C4'-P-C4' energy: -56.388 flat angles P-C4'-P energy: -33.869 tors. eta vs tors. theta energy: -12.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1342.287089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.287089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.287089 (E_RNA) where: Base-Base interactions energy: -953.792 where: short stacking energy: -404.190 Base-Backbone interact. energy: -0.828 local terms energy: -387.667074 where: bonds (distance) C4'-P energy: -70.282 bonds (distance) P-C4' energy: -68.922 flat angles C4'-P-C4' energy: -80.791 flat angles P-C4'-P energy: -56.582 tors. eta vs tors. theta energy: -111.090 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: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1274.784273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.784273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.784273 (E_RNA) where: Base-Base interactions energy: -904.816 where: short stacking energy: -390.485 Base-Backbone interact. energy: -0.254 local terms energy: -369.714038 where: bonds (distance) C4'-P energy: -69.537 bonds (distance) P-C4' energy: -64.348 flat angles C4'-P-C4' energy: -77.155 flat angles P-C4'-P energy: -47.438 tors. eta vs tors. theta energy: -111.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1252.343478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.343478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.343478 (E_RNA) where: Base-Base interactions energy: -907.576 where: short stacking energy: -356.091 Base-Backbone interact. energy: -0.981 local terms energy: -343.786017 where: bonds (distance) C4'-P energy: -62.610 bonds (distance) P-C4' energy: -62.284 flat angles C4'-P-C4' energy: -71.845 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -91.911 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: 10 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1201.507354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.507354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.507354 (E_RNA) where: Base-Base interactions energy: -853.387 where: short stacking energy: -356.591 Base-Backbone interact. energy: -0.470 local terms energy: -347.650564 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -52.940 flat angles C4'-P-C4' energy: -77.741 flat angles P-C4'-P energy: -52.166 tors. eta vs tors. theta energy: -105.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1092.549373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.549373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.549373 (E_RNA) where: Base-Base interactions energy: -780.841 where: short stacking energy: -347.069 Base-Backbone interact. energy: -0.299 local terms energy: -311.409864 where: bonds (distance) C4'-P energy: -44.556 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -70.593 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -89.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1071.978526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.978526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.978526 (E_RNA) where: Base-Base interactions energy: -761.077 where: short stacking energy: -319.532 Base-Backbone interact. energy: -0.927 local terms energy: -309.974967 where: bonds (distance) C4'-P energy: -63.284 bonds (distance) P-C4' energy: -60.553 flat angles C4'-P-C4' energy: -69.172 flat angles P-C4'-P energy: -28.389 tors. eta vs tors. theta energy: -88.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -976.651422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.651422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.651422 (E_RNA) where: Base-Base interactions energy: -669.169 where: short stacking energy: -295.601 Base-Backbone interact. energy: -1.384 local terms energy: -306.098201 where: bonds (distance) C4'-P energy: -63.609 bonds (distance) P-C4' energy: -65.748 flat angles C4'-P-C4' energy: -62.479 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -73.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -882.228603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.228603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.228603 (E_RNA) where: Base-Base interactions energy: -620.784 where: short stacking energy: -250.349 Base-Backbone interact. energy: -1.638 local terms energy: -259.806709 where: bonds (distance) C4'-P energy: -52.547 bonds (distance) P-C4' energy: -60.000 flat angles C4'-P-C4' energy: -60.217 flat angles P-C4'-P energy: -38.816 tors. eta vs tors. theta energy: -48.227 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: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -567.932419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.932419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.932419 (E_RNA) where: Base-Base interactions energy: -325.988 where: short stacking energy: -170.248 Base-Backbone interact. energy: 3.018 local terms energy: -244.962766 where: bonds (distance) C4'-P energy: -56.220 bonds (distance) P-C4' energy: -60.138 flat angles C4'-P-C4' energy: -65.509 flat angles P-C4'-P energy: -42.061 tors. eta vs tors. theta energy: -21.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -442.735118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.735118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.735118 (E_RNA) where: Base-Base interactions energy: -220.038 where: short stacking energy: -118.027 Base-Backbone interact. energy: -0.987 local terms energy: -221.710350 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -58.493 flat angles C4'-P-C4' energy: -50.600 flat angles P-C4'-P energy: -37.818 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1344.130197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.130197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.130197 (E_RNA) where: Base-Base interactions energy: -966.531 where: short stacking energy: -398.991 Base-Backbone interact. energy: -2.253 local terms energy: -375.345968 where: bonds (distance) C4'-P energy: -59.535 bonds (distance) P-C4' energy: -66.936 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -53.372 tors. eta vs tors. theta energy: -116.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1273.816418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.816418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.816418 (E_RNA) where: Base-Base interactions energy: -905.510 where: short stacking energy: -387.025 Base-Backbone interact. energy: -0.208 local terms energy: -368.098228 where: bonds (distance) C4'-P energy: -60.801 bonds (distance) P-C4' energy: -67.967 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -54.827 tors. eta vs tors. theta energy: -106.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1240.169398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.169398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.169398 (E_RNA) where: Base-Base interactions energy: -880.793 where: short stacking energy: -365.678 Base-Backbone interact. energy: -0.207 local terms energy: -359.169866 where: bonds (distance) C4'-P energy: -71.158 bonds (distance) P-C4' energy: -64.427 flat angles C4'-P-C4' energy: -76.852 flat angles P-C4'-P energy: -45.106 tors. eta vs tors. theta energy: -101.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1226.496289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.496289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.496289 (E_RNA) where: Base-Base interactions energy: -849.234 where: short stacking energy: -383.631 Base-Backbone interact. energy: -1.018 local terms energy: -376.244623 where: bonds (distance) C4'-P energy: -71.218 bonds (distance) P-C4' energy: -68.615 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -53.815 tors. eta vs tors. theta energy: -111.990 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: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1120.293630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.293630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.293630 (E_RNA) where: Base-Base interactions energy: -764.390 where: short stacking energy: -331.539 Base-Backbone interact. energy: -0.113 local terms energy: -355.790496 where: bonds (distance) C4'-P energy: -65.656 bonds (distance) P-C4' energy: -71.431 flat angles C4'-P-C4' energy: -74.013 flat angles P-C4'-P energy: -46.674 tors. eta vs tors. theta energy: -98.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1058.379757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.379757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.379757 (E_RNA) where: Base-Base interactions energy: -763.292 where: short stacking energy: -322.816 Base-Backbone interact. energy: 0.356 local terms energy: -295.443244 where: bonds (distance) C4'-P energy: -55.821 bonds (distance) P-C4' energy: -49.297 flat angles C4'-P-C4' energy: -66.728 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -83.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -957.307865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.307865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.307865 (E_RNA) where: Base-Base interactions energy: -669.377 where: short stacking energy: -279.894 Base-Backbone interact. energy: 0.357 local terms energy: -288.287546 where: bonds (distance) C4'-P energy: -52.280 bonds (distance) P-C4' energy: -60.859 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -45.193 tors. eta vs tors. theta energy: -62.058 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: 469 Temperature: 1.250000 Total energy: -902.623048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.623048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.623048 (E_RNA) where: Base-Base interactions energy: -627.264 where: short stacking energy: -280.137 Base-Backbone interact. energy: -0.938 local terms energy: -274.420741 where: bonds (distance) C4'-P energy: -61.116 bonds (distance) P-C4' energy: -64.310 flat angles C4'-P-C4' energy: -58.694 flat angles P-C4'-P energy: -29.075 tors. eta vs tors. theta energy: -61.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -517.984529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.984529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.984529 (E_RNA) where: Base-Base interactions energy: -279.792 where: short stacking energy: -155.486 Base-Backbone interact. energy: -2.675 local terms energy: -235.517711 where: bonds (distance) C4'-P energy: -53.195 bonds (distance) P-C4' energy: -67.834 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -33.360 tors. eta vs tors. theta energy: -20.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -447.768309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.768309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.768309 (E_RNA) where: Base-Base interactions energy: -238.710 where: short stacking energy: -148.236 Base-Backbone interact. energy: 5.406 local terms energy: -214.464073 where: bonds (distance) C4'-P energy: -59.326 bonds (distance) P-C4' energy: -62.731 flat angles C4'-P-C4' energy: -41.127 flat angles P-C4'-P energy: -33.273 tors. eta vs tors. theta energy: -18.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1352.802308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.802308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.802308 (E_RNA) where: Base-Base interactions energy: -977.958 where: short stacking energy: -405.191 Base-Backbone interact. energy: -0.886 local terms energy: -373.958732 where: bonds (distance) C4'-P energy: -64.380 bonds (distance) P-C4' energy: -55.102 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -57.932 tors. eta vs tors. theta energy: -114.921 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: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1269.618337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.618337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.618337 (E_RNA) where: Base-Base interactions energy: -908.524 where: short stacking energy: -384.816 Base-Backbone interact. energy: 0.933 local terms energy: -362.027105 where: bonds (distance) C4'-P energy: -52.708 bonds (distance) P-C4' energy: -70.777 flat angles C4'-P-C4' energy: -74.110 flat angles P-C4'-P energy: -51.787 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: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1219.820286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.820286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.820286 (E_RNA) where: Base-Base interactions energy: -854.548 where: short stacking energy: -371.906 Base-Backbone interact. energy: -1.103 local terms energy: -364.169979 where: bonds (distance) C4'-P energy: -66.993 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -59.206 tors. eta vs tors. theta energy: -100.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1202.256124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.256124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.256124 (E_RNA) where: Base-Base interactions energy: -877.107 where: short stacking energy: -345.869 Base-Backbone interact. energy: 0.353 local terms energy: -325.502231 where: bonds (distance) C4'-P energy: -47.455 bonds (distance) P-C4' energy: -59.607 flat angles C4'-P-C4' energy: -71.917 flat angles P-C4'-P energy: -52.854 tors. eta vs tors. theta energy: -93.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1118.638879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.638879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.638879 (E_RNA) where: Base-Base interactions energy: -777.713 where: short stacking energy: -360.260 Base-Backbone interact. energy: -1.481 local terms energy: -339.445262 where: bonds (distance) C4'-P energy: -57.854 bonds (distance) P-C4' energy: -58.677 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -54.310 tors. eta vs tors. theta energy: -97.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1055.089881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.089881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.089881 (E_RNA) where: Base-Base interactions energy: -727.807 where: short stacking energy: -325.097 Base-Backbone interact. energy: -0.664 local terms energy: -326.619104 where: bonds (distance) C4'-P energy: -67.973 bonds (distance) P-C4' energy: -58.325 flat angles C4'-P-C4' energy: -68.089 flat angles P-C4'-P energy: -46.680 tors. eta vs tors. theta energy: -85.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -975.858697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.858697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.858697 (E_RNA) where: Base-Base interactions energy: -677.726 where: short stacking energy: -285.457 Base-Backbone interact. energy: 1.021 local terms energy: -299.153949 where: bonds (distance) C4'-P energy: -56.285 bonds (distance) P-C4' energy: -62.760 flat angles C4'-P-C4' energy: -61.356 flat angles P-C4'-P energy: -47.611 tors. eta vs tors. theta energy: -71.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -895.232276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.232276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.232276 (E_RNA) where: Base-Base interactions energy: -607.631 where: short stacking energy: -261.070 Base-Backbone interact. energy: -1.042 local terms energy: -286.559009 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -52.639 flat angles C4'-P-C4' energy: -78.311 flat angles P-C4'-P energy: -35.873 tors. eta vs tors. theta energy: -64.230 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: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -609.065324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.065324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.065324 (E_RNA) where: Base-Base interactions energy: -369.307 where: short stacking energy: -180.073 Base-Backbone interact. energy: -0.974 local terms energy: -238.784247 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -53.605 flat angles C4'-P-C4' energy: -68.235 flat angles P-C4'-P energy: -34.531 tors. eta vs tors. theta energy: -25.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -418.768443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.768443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.768443 (E_RNA) where: Base-Base interactions energy: -209.369 where: short stacking energy: -127.047 Base-Backbone interact. energy: 3.597 local terms energy: -212.996974 where: bonds (distance) C4'-P energy: -46.692 bonds (distance) P-C4' energy: -62.722 flat angles C4'-P-C4' energy: -51.340 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -10.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1339.380057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.380057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.380057 (E_RNA) where: Base-Base interactions energy: -947.226 where: short stacking energy: -374.265 Base-Backbone interact. energy: 0.055 local terms energy: -392.209955 where: bonds (distance) C4'-P energy: -70.849 bonds (distance) P-C4' energy: -74.102 flat angles C4'-P-C4' energy: -78.700 flat angles P-C4'-P energy: -61.925 tors. eta vs tors. theta energy: -106.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1264.917452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.917452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.917452 (E_RNA) where: Base-Base interactions energy: -885.845 where: short stacking energy: -368.647 Base-Backbone interact. energy: 2.290 local terms energy: -381.362152 where: bonds (distance) C4'-P energy: -68.349 bonds (distance) P-C4' energy: -70.358 flat angles C4'-P-C4' energy: -78.331 flat angles P-C4'-P energy: -59.560 tors. eta vs tors. theta energy: -104.764 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: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1250.172803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.172803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.172803 (E_RNA) where: Base-Base interactions energy: -886.426 where: short stacking energy: -392.529 Base-Backbone interact. energy: -0.287 local terms energy: -363.459352 where: bonds (distance) C4'-P energy: -54.909 bonds (distance) P-C4' energy: -65.921 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: -109.648 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: 471 Temperature: 1.050000 Total energy: -1229.720508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.720508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.720508 (E_RNA) where: Base-Base interactions energy: -887.297 where: short stacking energy: -368.752 Base-Backbone interact. energy: -1.469 local terms energy: -340.954305 where: bonds (distance) C4'-P energy: -57.446 bonds (distance) P-C4' energy: -69.872 flat angles C4'-P-C4' energy: -71.742 flat angles P-C4'-P energy: -48.792 tors. eta vs tors. theta energy: -93.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1130.967900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.967900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.967900 (E_RNA) where: Base-Base interactions energy: -780.460 where: short stacking energy: -332.054 Base-Backbone interact. energy: -2.699 local terms energy: -347.808715 where: bonds (distance) C4'-P energy: -54.918 bonds (distance) P-C4' energy: -71.852 flat angles C4'-P-C4' energy: -77.157 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -97.713 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: 471 Temperature: 1.150000 Total energy: -1068.114370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.114370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.114370 (E_RNA) where: Base-Base interactions energy: -755.787 where: short stacking energy: -316.973 Base-Backbone interact. energy: 1.362 local terms energy: -313.689463 where: bonds (distance) C4'-P energy: -56.852 bonds (distance) P-C4' energy: -58.383 flat angles C4'-P-C4' energy: -63.266 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -86.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -943.054282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.054282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.054282 (E_RNA) where: Base-Base interactions energy: -670.712 where: short stacking energy: -287.303 Base-Backbone interact. energy: -1.464 local terms energy: -270.877740 where: bonds (distance) C4'-P energy: -53.528 bonds (distance) P-C4' energy: -59.826 flat angles C4'-P-C4' energy: -59.805 flat angles P-C4'-P energy: -38.405 tors. eta vs tors. theta energy: -59.314 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: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -899.486428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.486428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.486428 (E_RNA) where: Base-Base interactions energy: -629.945 where: short stacking energy: -271.693 Base-Backbone interact. energy: -0.094 local terms energy: -269.446596 where: bonds (distance) C4'-P energy: -56.368 bonds (distance) P-C4' energy: -53.976 flat angles C4'-P-C4' energy: -64.980 flat angles P-C4'-P energy: -26.745 tors. eta vs tors. theta energy: -67.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -598.072801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.072801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.072801 (E_RNA) where: Base-Base interactions energy: -361.174 where: short stacking energy: -178.307 Base-Backbone interact. energy: 1.939 local terms energy: -238.837805 where: bonds (distance) C4'-P energy: -45.390 bonds (distance) P-C4' energy: -58.504 flat angles C4'-P-C4' energy: -65.270 flat angles P-C4'-P energy: -40.978 tors. eta vs tors. theta energy: -28.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -410.451555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.451555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.451555 (E_RNA) where: Base-Base interactions energy: -215.366 where: short stacking energy: -138.161 Base-Backbone interact. energy: -0.923 local terms energy: -194.163085 where: bonds (distance) C4'-P energy: -44.117 bonds (distance) P-C4' energy: -60.413 flat angles C4'-P-C4' energy: -65.671 flat angles P-C4'-P energy: -25.209 tors. eta vs tors. theta energy: 1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1335.294952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.294952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.294952 (E_RNA) where: Base-Base interactions energy: -958.227 where: short stacking energy: -398.643 Base-Backbone interact. energy: 0.845 local terms energy: -377.913166 where: bonds (distance) C4'-P energy: -60.995 bonds (distance) P-C4' energy: -66.901 flat angles C4'-P-C4' energy: -81.600 flat angles P-C4'-P energy: -61.886 tors. eta vs tors. theta energy: -106.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1258.028329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.028329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.028329 (E_RNA) where: Base-Base interactions energy: -905.899 where: short stacking energy: -385.123 Base-Backbone interact. energy: 1.105 local terms energy: -353.234206 where: bonds (distance) C4'-P energy: -51.989 bonds (distance) P-C4' energy: -72.951 flat angles C4'-P-C4' energy: -76.412 flat angles P-C4'-P energy: -52.657 tors. eta vs tors. theta energy: -99.226 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: 7 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1213.835886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.835886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.835886 (E_RNA) where: Base-Base interactions energy: -863.084 where: short stacking energy: -346.672 Base-Backbone interact. energy: -2.149 local terms energy: -348.603751 where: bonds (distance) C4'-P energy: -73.498 bonds (distance) P-C4' energy: -61.002 flat angles C4'-P-C4' energy: -74.677 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -91.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1206.236853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.236853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.236853 (E_RNA) where: Base-Base interactions energy: -862.723 where: short stacking energy: -357.982 Base-Backbone interact. energy: -0.716 local terms energy: -342.797403 where: bonds (distance) C4'-P energy: -56.025 bonds (distance) P-C4' energy: -64.257 flat angles C4'-P-C4' energy: -75.950 flat angles P-C4'-P energy: -48.183 tors. eta vs tors. theta energy: -98.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1105.872708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.872708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.872708 (E_RNA) where: Base-Base interactions energy: -776.917 where: short stacking energy: -328.570 Base-Backbone interact. energy: -0.886 local terms energy: -328.069592 where: bonds (distance) C4'-P energy: -60.762 bonds (distance) P-C4' energy: -59.759 flat angles C4'-P-C4' energy: -65.778 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -93.570 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: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1089.665868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.665868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.665868 (E_RNA) where: Base-Base interactions energy: -766.565 where: short stacking energy: -323.891 Base-Backbone interact. energy: -3.663 local terms energy: -319.438050 where: bonds (distance) C4'-P energy: -56.259 bonds (distance) P-C4' energy: -51.222 flat angles C4'-P-C4' energy: -77.495 flat angles P-C4'-P energy: -41.619 tors. eta vs tors. theta energy: -92.843 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: 5 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -954.000059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.000059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.000059 (E_RNA) where: Base-Base interactions energy: -640.699 where: short stacking energy: -260.058 Base-Backbone interact. energy: -1.060 local terms energy: -312.240788 where: bonds (distance) C4'-P energy: -68.082 bonds (distance) P-C4' energy: -72.083 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -48.573 tors. eta vs tors. theta energy: -55.230 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: 6 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -877.779256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.779256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.779256 (E_RNA) where: Base-Base interactions energy: -583.685 where: short stacking energy: -275.402 Base-Backbone interact. energy: -0.688 local terms energy: -293.406769 where: bonds (distance) C4'-P energy: -64.668 bonds (distance) P-C4' energy: -65.030 flat angles C4'-P-C4' energy: -57.763 flat angles P-C4'-P energy: -43.962 tors. eta vs tors. theta energy: -61.985 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: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -666.069621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.069621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.069621 (E_RNA) where: Base-Base interactions energy: -428.203 where: short stacking energy: -202.237 Base-Backbone interact. energy: -0.756 local terms energy: -237.110942 where: bonds (distance) C4'-P energy: -54.793 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -62.300 flat angles P-C4'-P energy: -23.347 tors. eta vs tors. theta energy: -34.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -380.773805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.773805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.773805 (E_RNA) where: Base-Base interactions energy: -184.887 where: short stacking energy: -102.382 Base-Backbone interact. energy: -1.093 local terms energy: -194.794094 where: bonds (distance) C4'-P energy: -41.892 bonds (distance) P-C4' energy: -58.574 flat angles C4'-P-C4' energy: -52.248 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1342.331262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.331262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.331262 (E_RNA) where: Base-Base interactions energy: -944.889 where: short stacking energy: -389.765 Base-Backbone interact. energy: -1.048 local terms energy: -396.394095 where: bonds (distance) C4'-P energy: -67.957 bonds (distance) P-C4' energy: -75.879 flat angles C4'-P-C4' energy: -74.253 flat angles P-C4'-P energy: -63.613 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: 2, replica: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1251.759618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.759618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.759618 (E_RNA) where: Base-Base interactions energy: -876.404 where: short stacking energy: -370.556 Base-Backbone interact. energy: 1.651 local terms energy: -377.006420 where: bonds (distance) C4'-P energy: -66.044 bonds (distance) P-C4' energy: -77.736 flat angles C4'-P-C4' energy: -75.163 flat angles P-C4'-P energy: -48.648 tors. eta vs tors. theta energy: -109.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1223.586442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.586442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.586442 (E_RNA) where: Base-Base interactions energy: -876.731 where: short stacking energy: -352.663 Base-Backbone interact. energy: -1.973 local terms energy: -344.882189 where: bonds (distance) C4'-P energy: -62.862 bonds (distance) P-C4' energy: -67.490 flat angles C4'-P-C4' energy: -77.249 flat angles P-C4'-P energy: -48.784 tors. eta vs tors. theta energy: -88.497 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: 9 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1212.441412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.441412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.441412 (E_RNA) where: Base-Base interactions energy: -852.107 where: short stacking energy: -354.472 Base-Backbone interact. energy: -0.316 local terms energy: -360.018957 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -76.114 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -48.581 tors. eta vs tors. theta energy: -99.250 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: 8 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1098.417000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.417000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.417000 (E_RNA) where: Base-Base interactions energy: -768.089 where: short stacking energy: -335.639 Base-Backbone interact. energy: -0.647 local terms energy: -329.680147 where: bonds (distance) C4'-P energy: -68.911 bonds (distance) P-C4' energy: -57.844 flat angles C4'-P-C4' energy: -74.582 flat angles P-C4'-P energy: -39.660 tors. eta vs tors. theta energy: -88.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1056.262762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.262762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.262762 (E_RNA) where: Base-Base interactions energy: -735.104 where: short stacking energy: -342.759 Base-Backbone interact. energy: -0.993 local terms energy: -320.165491 where: bonds (distance) C4'-P energy: -55.949 bonds (distance) P-C4' energy: -62.913 flat angles C4'-P-C4' energy: -68.947 flat angles P-C4'-P energy: -47.211 tors. eta vs tors. theta energy: -85.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -962.638205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.638205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.638205 (E_RNA) where: Base-Base interactions energy: -676.272 where: short stacking energy: -288.133 Base-Backbone interact. energy: -0.814 local terms energy: -285.552047 where: bonds (distance) C4'-P energy: -53.920 bonds (distance) P-C4' energy: -48.615 flat angles C4'-P-C4' energy: -60.781 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -75.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -885.799902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.799902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.799902 (E_RNA) where: Base-Base interactions energy: -628.026 where: short stacking energy: -259.700 Base-Backbone interact. energy: -0.778 local terms energy: -256.995531 where: bonds (distance) C4'-P energy: -55.650 bonds (distance) P-C4' energy: -38.885 flat angles C4'-P-C4' energy: -58.452 flat angles P-C4'-P energy: -43.586 tors. eta vs tors. theta energy: -60.422 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: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -638.165393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.165393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.165393 (E_RNA) where: Base-Base interactions energy: -408.361 where: short stacking energy: -203.066 Base-Backbone interact. energy: -1.314 local terms energy: -228.489820 where: bonds (distance) C4'-P energy: -42.824 bonds (distance) P-C4' energy: -71.593 flat angles C4'-P-C4' energy: -39.003 flat angles P-C4'-P energy: -33.581 tors. eta vs tors. theta energy: -41.488 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: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -408.819918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.819918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.819918 (E_RNA) where: Base-Base interactions energy: -218.362 where: short stacking energy: -149.161 Base-Backbone interact. energy: 0.866 local terms energy: -191.324571 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -38.883 flat angles C4'-P-C4' energy: -40.572 flat angles P-C4'-P energy: -43.156 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: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1352.508696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.508696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.508696 (E_RNA) where: Base-Base interactions energy: -948.786 where: short stacking energy: -398.227 Base-Backbone interact. energy: -0.935 local terms energy: -402.787995 where: bonds (distance) C4'-P energy: -72.923 bonds (distance) P-C4' energy: -77.690 flat angles C4'-P-C4' energy: -82.890 flat angles P-C4'-P energy: -52.434 tors. eta vs tors. theta energy: -116.851 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: 474 Temperature: 0.950000 Total energy: -1244.755239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.755239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.755239 (E_RNA) where: Base-Base interactions energy: -864.982 where: short stacking energy: -375.512 Base-Backbone interact. energy: -2.203 local terms energy: -377.570024 where: bonds (distance) C4'-P energy: -66.281 bonds (distance) P-C4' energy: -67.579 flat angles C4'-P-C4' energy: -77.766 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -105.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1238.858877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.858877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.858877 (E_RNA) where: Base-Base interactions energy: -881.369 where: short stacking energy: -374.242 Base-Backbone interact. energy: 0.173 local terms energy: -357.662572 where: bonds (distance) C4'-P energy: -53.239 bonds (distance) P-C4' energy: -72.377 flat angles C4'-P-C4' energy: -70.559 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -113.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1216.265743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.265743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.265743 (E_RNA) where: Base-Base interactions energy: -888.856 where: short stacking energy: -348.436 Base-Backbone interact. energy: -1.648 local terms energy: -325.761865 where: bonds (distance) C4'-P energy: -56.023 bonds (distance) P-C4' energy: -63.718 flat angles C4'-P-C4' energy: -71.505 flat angles P-C4'-P energy: -51.943 tors. eta vs tors. theta energy: -82.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1111.237779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.237779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.237779 (E_RNA) where: Base-Base interactions energy: -779.248 where: short stacking energy: -339.628 Base-Backbone interact. energy: 0.103 local terms energy: -332.092676 where: bonds (distance) C4'-P energy: -58.878 bonds (distance) P-C4' energy: -72.156 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: -84.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1077.385902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.385902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.385902 (E_RNA) where: Base-Base interactions energy: -745.499 where: short stacking energy: -338.187 Base-Backbone interact. energy: 0.488 local terms energy: -332.374809 where: bonds (distance) C4'-P energy: -54.565 bonds (distance) P-C4' energy: -64.358 flat angles C4'-P-C4' energy: -77.077 flat angles P-C4'-P energy: -47.011 tors. eta vs tors. theta energy: -89.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -983.703402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.703402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.703402 (E_RNA) where: Base-Base interactions energy: -696.639 where: short stacking energy: -297.423 Base-Backbone interact. energy: 1.938 local terms energy: -289.002484 where: bonds (distance) C4'-P energy: -52.033 bonds (distance) P-C4' energy: -58.260 flat angles C4'-P-C4' energy: -54.573 flat angles P-C4'-P energy: -38.537 tors. eta vs tors. theta energy: -85.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -909.509860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.509860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.509860 (E_RNA) where: Base-Base interactions energy: -633.189 where: short stacking energy: -270.554 Base-Backbone interact. energy: 2.235 local terms energy: -278.555788 where: bonds (distance) C4'-P energy: -70.205 bonds (distance) P-C4' energy: -57.588 flat angles C4'-P-C4' energy: -52.032 flat angles P-C4'-P energy: -28.097 tors. eta vs tors. theta energy: -70.634 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: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -617.737875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.737875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.737875 (E_RNA) where: Base-Base interactions energy: -398.266 where: short stacking energy: -194.357 Base-Backbone interact. energy: -1.044 local terms energy: -218.428068 where: bonds (distance) C4'-P energy: -57.891 bonds (distance) P-C4' energy: -57.040 flat angles C4'-P-C4' energy: -48.972 flat angles P-C4'-P energy: -35.340 tors. eta vs tors. theta energy: -19.185 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: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -404.617776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.617776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.617776 (E_RNA) where: Base-Base interactions energy: -190.951 where: short stacking energy: -117.079 Base-Backbone interact. energy: -1.033 local terms energy: -212.634502 where: bonds (distance) C4'-P energy: -52.962 bonds (distance) P-C4' energy: -72.142 flat angles C4'-P-C4' energy: -54.026 flat angles P-C4'-P energy: -29.509 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1344.943702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.943702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.943702 (E_RNA) where: Base-Base interactions energy: -966.785 where: short stacking energy: -389.387 Base-Backbone interact. energy: -0.416 local terms energy: -377.743454 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -72.018 flat angles C4'-P-C4' energy: -81.221 flat angles P-C4'-P energy: -55.629 tors. eta vs tors. theta energy: -107.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1251.393383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.393383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.393383 (E_RNA) where: Base-Base interactions energy: -893.836 where: short stacking energy: -386.211 Base-Backbone interact. energy: 1.499 local terms energy: -359.056675 where: bonds (distance) C4'-P energy: -59.696 bonds (distance) P-C4' energy: -69.335 flat angles C4'-P-C4' energy: -69.206 flat angles P-C4'-P energy: -54.065 tors. eta vs tors. theta energy: -106.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1206.713628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.713628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.713628 (E_RNA) where: Base-Base interactions energy: -835.967 where: short stacking energy: -350.740 Base-Backbone interact. energy: -1.148 local terms energy: -369.598836 where: bonds (distance) C4'-P energy: -68.026 bonds (distance) P-C4' energy: -70.212 flat angles C4'-P-C4' energy: -66.435 flat angles P-C4'-P energy: -63.911 tors. eta vs tors. theta energy: -101.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1211.162437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.162437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.162437 (E_RNA) where: Base-Base interactions energy: -889.677 where: short stacking energy: -350.855 Base-Backbone interact. energy: 3.589 local terms energy: -325.074439 where: bonds (distance) C4'-P energy: -61.131 bonds (distance) P-C4' energy: -59.674 flat angles C4'-P-C4' energy: -60.793 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -95.708 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: 8 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1162.663791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.663791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.663791 (E_RNA) where: Base-Base interactions energy: -831.637 where: short stacking energy: -349.981 Base-Backbone interact. energy: -1.604 local terms energy: -329.422577 where: bonds (distance) C4'-P energy: -60.337 bonds (distance) P-C4' energy: -57.134 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -87.097 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: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1081.431454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.431454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.431454 (E_RNA) where: Base-Base interactions energy: -746.772 where: short stacking energy: -325.099 Base-Backbone interact. energy: -0.060 local terms energy: -334.599913 where: bonds (distance) C4'-P energy: -69.055 bonds (distance) P-C4' energy: -63.027 flat angles C4'-P-C4' energy: -67.932 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -91.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -986.655561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.655561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.655561 (E_RNA) where: Base-Base interactions energy: -682.158 where: short stacking energy: -309.806 Base-Backbone interact. energy: 1.542 local terms energy: -306.039088 where: bonds (distance) C4'-P energy: -52.242 bonds (distance) P-C4' energy: -48.283 flat angles C4'-P-C4' energy: -69.282 flat angles P-C4'-P energy: -55.559 tors. eta vs tors. theta energy: -80.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -902.832282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.832282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.832282 (E_RNA) where: Base-Base interactions energy: -620.757 where: short stacking energy: -295.357 Base-Backbone interact. energy: 0.443 local terms energy: -282.518339 where: bonds (distance) C4'-P energy: -49.971 bonds (distance) P-C4' energy: -56.940 flat angles C4'-P-C4' energy: -53.321 flat angles P-C4'-P energy: -39.510 tors. eta vs tors. theta energy: -82.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -611.806256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.806256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.806256 (E_RNA) where: Base-Base interactions energy: -373.246 where: short stacking energy: -205.381 Base-Backbone interact. energy: -0.455 local terms energy: -238.105375 where: bonds (distance) C4'-P energy: -58.903 bonds (distance) P-C4' energy: -49.712 flat angles C4'-P-C4' energy: -49.411 flat angles P-C4'-P energy: -43.695 tors. eta vs tors. theta energy: -36.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -435.254209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.254209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.254209 (E_RNA) where: Base-Base interactions energy: -223.697 where: short stacking energy: -113.434 Base-Backbone interact. energy: -0.766 local terms energy: -210.790829 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -62.274 flat angles C4'-P-C4' energy: -44.051 flat angles P-C4'-P energy: -33.482 tors. eta vs tors. theta energy: -7.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1353.580606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.580606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.580606 (E_RNA) where: Base-Base interactions energy: -958.220 where: short stacking energy: -386.726 Base-Backbone interact. energy: -1.190 local terms energy: -394.170975 where: bonds (distance) C4'-P energy: -74.374 bonds (distance) P-C4' energy: -68.626 flat angles C4'-P-C4' energy: -81.858 flat angles P-C4'-P energy: -55.189 tors. eta vs tors. theta energy: -114.125 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: 9 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1266.122433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.122433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.122433 (E_RNA) where: Base-Base interactions energy: -900.229 where: short stacking energy: -372.462 Base-Backbone interact. energy: -0.485 local terms energy: -365.408450 where: bonds (distance) C4'-P energy: -66.802 bonds (distance) P-C4' energy: -63.846 flat angles C4'-P-C4' energy: -74.851 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: -104.825 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: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1247.473084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.473084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.473084 (E_RNA) where: Base-Base interactions energy: -899.156 where: short stacking energy: -369.400 Base-Backbone interact. energy: -3.102 local terms energy: -345.215749 where: bonds (distance) C4'-P energy: -67.183 bonds (distance) P-C4' energy: -71.661 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -92.127 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: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1192.906409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.906409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.906409 (E_RNA) where: Base-Base interactions energy: -822.830 where: short stacking energy: -353.725 Base-Backbone interact. energy: -1.423 local terms energy: -368.653084 where: bonds (distance) C4'-P energy: -63.569 bonds (distance) P-C4' energy: -64.606 flat angles C4'-P-C4' energy: -84.240 flat angles P-C4'-P energy: -51.825 tors. eta vs tors. theta energy: -104.413 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: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1115.744607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.744607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.744607 (E_RNA) where: Base-Base interactions energy: -787.594 where: short stacking energy: -358.595 Base-Backbone interact. energy: -1.297 local terms energy: -326.853019 where: bonds (distance) C4'-P energy: -48.147 bonds (distance) P-C4' energy: -57.899 flat angles C4'-P-C4' energy: -69.346 flat angles P-C4'-P energy: -48.467 tors. eta vs tors. theta energy: -102.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1103.316953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.316953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.316953 (E_RNA) where: Base-Base interactions energy: -776.906 where: short stacking energy: -324.629 Base-Backbone interact. energy: -1.948 local terms energy: -324.463018 where: bonds (distance) C4'-P energy: -64.103 bonds (distance) P-C4' energy: -62.651 flat angles C4'-P-C4' energy: -65.132 flat angles P-C4'-P energy: -37.325 tors. eta vs tors. theta energy: -95.252 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: 7, replica: 5 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -954.576005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.576005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.576005 (E_RNA) where: Base-Base interactions energy: -665.630 where: short stacking energy: -259.879 Base-Backbone interact. energy: -1.019 local terms energy: -287.927103 where: bonds (distance) C4'-P energy: -46.290 bonds (distance) P-C4' energy: -69.852 flat angles C4'-P-C4' energy: -60.086 flat angles P-C4'-P energy: -46.276 tors. eta vs tors. theta energy: -65.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -927.755817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.755817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.755817 (E_RNA) where: Base-Base interactions energy: -656.869 where: short stacking energy: -269.133 Base-Backbone interact. energy: -0.941 local terms energy: -269.946083 where: bonds (distance) C4'-P energy: -50.049 bonds (distance) P-C4' energy: -58.308 flat angles C4'-P-C4' energy: -61.221 flat angles P-C4'-P energy: -31.805 tors. eta vs tors. theta energy: -68.563 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -618.690908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.690908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.690908 (E_RNA) where: Base-Base interactions energy: -377.417 where: short stacking energy: -190.432 Base-Backbone interact. energy: -2.697 local terms energy: -238.577730 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -61.069 flat angles C4'-P-C4' energy: -53.248 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -30.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -445.909134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.909134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.909134 (E_RNA) where: Base-Base interactions energy: -232.122 where: short stacking energy: -134.480 Base-Backbone interact. energy: -1.733 local terms energy: -212.054347 where: bonds (distance) C4'-P energy: -49.125 bonds (distance) P-C4' energy: -62.418 flat angles C4'-P-C4' energy: -49.314 flat angles P-C4'-P energy: -40.178 tors. eta vs tors. theta energy: -11.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1350.936922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.936922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.936922 (E_RNA) where: Base-Base interactions energy: -972.432 where: short stacking energy: -395.865 Base-Backbone interact. energy: -0.933 local terms energy: -377.571576 where: bonds (distance) C4'-P energy: -72.829 bonds (distance) P-C4' energy: -68.989 flat angles C4'-P-C4' energy: -73.051 flat angles P-C4'-P energy: -54.134 tors. eta vs tors. theta energy: -108.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1284.836198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.836198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.836198 (E_RNA) where: Base-Base interactions energy: -913.948 where: short stacking energy: -371.333 Base-Backbone interact. energy: -0.200 local terms energy: -370.687305 where: bonds (distance) C4'-P energy: -63.799 bonds (distance) P-C4' energy: -69.485 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -52.970 tors. eta vs tors. theta energy: -107.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1223.809606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.809606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.809606 (E_RNA) where: Base-Base interactions energy: -868.264 where: short stacking energy: -348.148 Base-Backbone interact. energy: -0.284 local terms energy: -355.261500 where: bonds (distance) C4'-P energy: -73.304 bonds (distance) P-C4' energy: -69.895 flat angles C4'-P-C4' energy: -75.300 flat angles P-C4'-P energy: -43.665 tors. eta vs tors. theta energy: -93.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1220.273044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.273044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.273044 (E_RNA) where: Base-Base interactions energy: -849.680 where: short stacking energy: -363.691 Base-Backbone interact. energy: -0.405 local terms energy: -370.188491 where: bonds (distance) C4'-P energy: -75.354 bonds (distance) P-C4' energy: -67.440 flat angles C4'-P-C4' energy: -71.587 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -103.566 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: 1 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1093.757230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.757230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.757230 (E_RNA) where: Base-Base interactions energy: -756.408 where: short stacking energy: -333.352 Base-Backbone interact. energy: 0.217 local terms energy: -337.566765 where: bonds (distance) C4'-P energy: -58.742 bonds (distance) P-C4' energy: -66.366 flat angles C4'-P-C4' energy: -77.465 flat angles P-C4'-P energy: -46.714 tors. eta vs tors. theta energy: -88.280 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: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1089.846169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.846169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.846169 (E_RNA) where: Base-Base interactions energy: -766.366 where: short stacking energy: -321.117 Base-Backbone interact. energy: 0.598 local terms energy: -324.078182 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -63.238 flat angles C4'-P-C4' energy: -72.676 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -86.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -973.086371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.086371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.086371 (E_RNA) where: Base-Base interactions energy: -691.095 where: short stacking energy: -286.748 Base-Backbone interact. energy: -1.244 local terms energy: -280.748126 where: bonds (distance) C4'-P energy: -54.503 bonds (distance) P-C4' energy: -69.975 flat angles C4'-P-C4' energy: -53.995 flat angles P-C4'-P energy: -37.670 tors. eta vs tors. theta energy: -64.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -916.170618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.170618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.170618 (E_RNA) where: Base-Base interactions energy: -639.815 where: short stacking energy: -262.904 Base-Backbone interact. energy: 3.339 local terms energy: -279.694156 where: bonds (distance) C4'-P energy: -60.129 bonds (distance) P-C4' energy: -55.402 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -36.011 tors. eta vs tors. theta energy: -67.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -610.348208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.348208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.348208 (E_RNA) where: Base-Base interactions energy: -366.821 where: short stacking energy: -182.618 Base-Backbone interact. energy: -1.278 local terms energy: -242.248915 where: bonds (distance) C4'-P energy: -59.802 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -58.474 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -28.933 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: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -399.134629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.134629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.134629 (E_RNA) where: Base-Base interactions energy: -193.408 where: short stacking energy: -124.380 Base-Backbone interact. energy: 2.644 local terms energy: -208.370468 where: bonds (distance) C4'-P energy: -41.462 bonds (distance) P-C4' energy: -61.651 flat angles C4'-P-C4' energy: -56.042 flat angles P-C4'-P energy: -39.340 tors. eta vs tors. theta energy: -9.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1345.363535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.363535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.363535 (E_RNA) where: Base-Base interactions energy: -961.140 where: short stacking energy: -379.482 Base-Backbone interact. energy: -1.617 local terms energy: -382.606406 where: bonds (distance) C4'-P energy: -58.048 bonds (distance) P-C4' energy: -73.722 flat angles C4'-P-C4' energy: -84.946 flat angles P-C4'-P energy: -52.594 tors. eta vs tors. theta energy: -113.296 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: 9 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1277.774718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.774718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.774718 (E_RNA) where: Base-Base interactions energy: -917.928 where: short stacking energy: -382.931 Base-Backbone interact. energy: 2.428 local terms energy: -362.274718 where: bonds (distance) C4'-P energy: -66.054 bonds (distance) P-C4' energy: -65.658 flat angles C4'-P-C4' energy: -72.972 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -104.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1236.326478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.326478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.326478 (E_RNA) where: Base-Base interactions energy: -889.495 where: short stacking energy: -356.192 Base-Backbone interact. energy: 1.286 local terms energy: -348.117984 where: bonds (distance) C4'-P energy: -64.721 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -75.727 flat angles P-C4'-P energy: -48.462 tors. eta vs tors. theta energy: -95.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1205.217229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.217229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.217229 (E_RNA) where: Base-Base interactions energy: -850.386 where: short stacking energy: -352.136 Base-Backbone interact. energy: 1.017 local terms energy: -355.848910 where: bonds (distance) C4'-P energy: -64.567 bonds (distance) P-C4' energy: -64.479 flat angles C4'-P-C4' energy: -78.122 flat angles P-C4'-P energy: -48.946 tors. eta vs tors. theta energy: -99.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1134.339687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.339687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.339687 (E_RNA) where: Base-Base interactions energy: -776.494 where: short stacking energy: -359.794 Base-Backbone interact. energy: -0.262 local terms energy: -357.583027 where: bonds (distance) C4'-P energy: -69.573 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -76.725 flat angles P-C4'-P energy: -48.634 tors. eta vs tors. theta energy: -98.214 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: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1084.528456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.528456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.528456 (E_RNA) where: Base-Base interactions energy: -776.422 where: short stacking energy: -328.775 Base-Backbone interact. energy: -0.450 local terms energy: -307.656193 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -51.725 flat angles C4'-P-C4' energy: -65.888 flat angles P-C4'-P energy: -37.024 tors. eta vs tors. theta energy: -88.261 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: 5 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -945.829135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.829135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.829135 (E_RNA) where: Base-Base interactions energy: -652.364 where: short stacking energy: -271.755 Base-Backbone interact. energy: -1.515 local terms energy: -291.949984 where: bonds (distance) C4'-P energy: -55.884 bonds (distance) P-C4' energy: -53.804 flat angles C4'-P-C4' energy: -63.810 flat angles P-C4'-P energy: -53.023 tors. eta vs tors. theta energy: -65.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -936.032695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.032695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.032695 (E_RNA) where: Base-Base interactions energy: -652.854 where: short stacking energy: -268.789 Base-Backbone interact. energy: 2.536 local terms energy: -285.714891 where: bonds (distance) C4'-P energy: -59.947 bonds (distance) P-C4' energy: -58.128 flat angles C4'-P-C4' energy: -66.941 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -60.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -618.838168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.838168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.838168 (E_RNA) where: Base-Base interactions energy: -383.396 where: short stacking energy: -211.275 Base-Backbone interact. energy: -0.836 local terms energy: -234.605842 where: bonds (distance) C4'-P energy: -59.009 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -58.167 flat angles P-C4'-P energy: -26.980 tors. eta vs tors. theta energy: -35.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -433.393471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.393471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.393471 (E_RNA) where: Base-Base interactions energy: -212.585 where: short stacking energy: -117.880 Base-Backbone interact. energy: 0.766 local terms energy: -221.574813 where: bonds (distance) C4'-P energy: -56.723 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -57.082 flat angles P-C4'-P energy: -30.707 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1337.106619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.106619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.106619 (E_RNA) where: Base-Base interactions energy: -956.449 where: short stacking energy: -379.552 Base-Backbone interact. energy: -2.528 local terms energy: -378.129771 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -80.926 flat angles P-C4'-P energy: -52.099 tors. eta vs tors. theta energy: -112.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1262.738220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.738220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.738220 (E_RNA) where: Base-Base interactions energy: -904.490 where: short stacking energy: -366.426 Base-Backbone interact. energy: -0.225 local terms energy: -358.023186 where: bonds (distance) C4'-P energy: -73.227 bonds (distance) P-C4' energy: -64.881 flat angles C4'-P-C4' energy: -76.262 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -106.170 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: 7 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1270.737041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.737041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.737041 (E_RNA) where: Base-Base interactions energy: -915.608 where: short stacking energy: -365.523 Base-Backbone interact. energy: -0.972 local terms energy: -354.157332 where: bonds (distance) C4'-P energy: -74.929 bonds (distance) P-C4' energy: -63.308 flat angles C4'-P-C4' energy: -80.403 flat angles P-C4'-P energy: -49.457 tors. eta vs tors. theta energy: -86.060 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: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1211.130498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.130498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.130498 (E_RNA) where: Base-Base interactions energy: -847.121 where: short stacking energy: -367.045 Base-Backbone interact. energy: -0.891 local terms energy: -363.118863 where: bonds (distance) C4'-P energy: -69.697 bonds (distance) P-C4' energy: -62.617 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -49.724 tors. eta vs tors. theta energy: -102.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1082.524719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.524719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.524719 (E_RNA) where: Base-Base interactions energy: -754.334 where: short stacking energy: -315.278 Base-Backbone interact. energy: 0.419 local terms energy: -328.609479 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -44.189 tors. eta vs tors. theta energy: -86.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1077.830265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.830265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.830265 (E_RNA) where: Base-Base interactions energy: -763.792 where: short stacking energy: -331.944 Base-Backbone interact. energy: -1.965 local terms energy: -312.072718 where: bonds (distance) C4'-P energy: -65.795 bonds (distance) P-C4' energy: -62.817 flat angles C4'-P-C4' energy: -68.523 flat angles P-C4'-P energy: -34.761 tors. eta vs tors. theta energy: -80.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -942.371842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.371842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.371842 (E_RNA) where: Base-Base interactions energy: -629.770 where: short stacking energy: -263.481 Base-Backbone interact. energy: -0.138 local terms energy: -312.463494 where: bonds (distance) C4'-P energy: -69.597 bonds (distance) P-C4' energy: -61.926 flat angles C4'-P-C4' energy: -69.959 flat angles P-C4'-P energy: -48.069 tors. eta vs tors. theta energy: -62.912 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: 6 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -974.894403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.894403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.894403 (E_RNA) where: Base-Base interactions energy: -667.900 where: short stacking energy: -278.313 Base-Backbone interact. energy: -0.531 local terms energy: -306.463472 where: bonds (distance) C4'-P energy: -50.808 bonds (distance) P-C4' energy: -73.250 flat angles C4'-P-C4' energy: -61.935 flat angles P-C4'-P energy: -48.012 tors. eta vs tors. theta energy: -72.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -625.026548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.026548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.026548 (E_RNA) where: Base-Base interactions energy: -378.732 where: short stacking energy: -194.042 Base-Backbone interact. energy: 0.064 local terms energy: -246.358864 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -59.677 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -40.236 tors. eta vs tors. theta energy: -38.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -412.298897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.298897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.298897 (E_RNA) where: Base-Base interactions energy: -211.834 where: short stacking energy: -119.764 Base-Backbone interact. energy: -1.385 local terms energy: -199.080470 where: bonds (distance) C4'-P energy: -66.377 bonds (distance) P-C4' energy: -63.466 flat angles C4'-P-C4' energy: -49.867 flat angles P-C4'-P energy: -19.623 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1345.349576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.349576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.349576 (E_RNA) where: Base-Base interactions energy: -961.964 where: short stacking energy: -388.945 Base-Backbone interact. energy: -0.527 local terms energy: -382.858326 where: bonds (distance) C4'-P energy: -71.547 bonds (distance) P-C4' energy: -71.635 flat angles C4'-P-C4' energy: -79.297 flat angles P-C4'-P energy: -50.209 tors. eta vs tors. theta energy: -110.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1251.005102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.005102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.005102 (E_RNA) where: Base-Base interactions energy: -883.208 where: short stacking energy: -374.930 Base-Backbone interact. energy: -1.468 local terms energy: -366.329247 where: bonds (distance) C4'-P energy: -70.077 bonds (distance) P-C4' energy: -69.904 flat angles C4'-P-C4' energy: -84.510 flat angles P-C4'-P energy: -46.070 tors. eta vs tors. theta energy: -95.768 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: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1244.723921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.723921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.723921 (E_RNA) where: Base-Base interactions energy: -887.153 where: short stacking energy: -355.456 Base-Backbone interact. energy: -2.682 local terms energy: -354.888634 where: bonds (distance) C4'-P energy: -63.630 bonds (distance) P-C4' energy: -75.185 flat angles C4'-P-C4' energy: -78.803 flat angles P-C4'-P energy: -43.091 tors. eta vs tors. theta energy: -94.181 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: 10 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1209.275425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.275425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.275425 (E_RNA) where: Base-Base interactions energy: -854.500 where: short stacking energy: -352.180 Base-Backbone interact. energy: -0.573 local terms energy: -354.201912 where: bonds (distance) C4'-P energy: -66.019 bonds (distance) P-C4' energy: -68.686 flat angles C4'-P-C4' energy: -74.175 flat angles P-C4'-P energy: -45.394 tors. eta vs tors. theta energy: -99.927 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: 1 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1093.555089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.555089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.555089 (E_RNA) where: Base-Base interactions energy: -750.261 where: short stacking energy: -334.051 Base-Backbone interact. energy: -0.613 local terms energy: -342.680800 where: bonds (distance) C4'-P energy: -64.986 bonds (distance) P-C4' energy: -67.250 flat angles C4'-P-C4' energy: -72.538 flat angles P-C4'-P energy: -48.611 tors. eta vs tors. theta energy: -89.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1075.674543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.674543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.674543 (E_RNA) where: Base-Base interactions energy: -733.047 where: short stacking energy: -331.624 Base-Backbone interact. energy: -0.919 local terms energy: -341.708154 where: bonds (distance) C4'-P energy: -70.006 bonds (distance) P-C4' energy: -59.163 flat angles C4'-P-C4' energy: -77.945 flat angles P-C4'-P energy: -42.794 tors. eta vs tors. theta energy: -91.801 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: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -955.884535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.884535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.884535 (E_RNA) where: Base-Base interactions energy: -650.136 where: short stacking energy: -286.870 Base-Backbone interact. energy: 0.120 local terms energy: -305.869088 where: bonds (distance) C4'-P energy: -56.271 bonds (distance) P-C4' energy: -66.508 flat angles C4'-P-C4' energy: -74.737 flat angles P-C4'-P energy: -36.904 tors. eta vs tors. theta energy: -71.448 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: 5 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -901.864433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.864433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.864433 (E_RNA) where: Base-Base interactions energy: -626.067 where: short stacking energy: -258.029 Base-Backbone interact. energy: -0.452 local terms energy: -275.345867 where: bonds (distance) C4'-P energy: -54.510 bonds (distance) P-C4' energy: -55.936 flat angles C4'-P-C4' energy: -57.940 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -64.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -663.996939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.996939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.996939 (E_RNA) where: Base-Base interactions energy: -410.306 where: short stacking energy: -206.735 Base-Backbone interact. energy: 0.342 local terms energy: -254.033175 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -54.917 flat angles P-C4'-P energy: -29.646 tors. eta vs tors. theta energy: -44.527 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: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -411.133722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.133722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.133722 (E_RNA) where: Base-Base interactions energy: -233.299 where: short stacking energy: -142.242 Base-Backbone interact. energy: 2.922 local terms energy: -180.756873 where: bonds (distance) C4'-P energy: -45.444 bonds (distance) P-C4' energy: -54.934 flat angles C4'-P-C4' energy: -34.067 flat angles P-C4'-P energy: -29.098 tors. eta vs tors. theta energy: -17.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1355.372237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.372237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.372237 (E_RNA) where: Base-Base interactions energy: -976.024 where: short stacking energy: -398.545 Base-Backbone interact. energy: -1.821 local terms energy: -377.526577 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -70.027 flat angles C4'-P-C4' energy: -82.827 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -110.004 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: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1253.644012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.644012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.644012 (E_RNA) where: Base-Base interactions energy: -879.420 where: short stacking energy: -353.561 Base-Backbone interact. energy: -2.198 local terms energy: -372.026046 where: bonds (distance) C4'-P energy: -75.445 bonds (distance) P-C4' energy: -66.738 flat angles C4'-P-C4' energy: -77.520 flat angles P-C4'-P energy: -54.465 tors. eta vs tors. theta energy: -97.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1215.439370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.439370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.439370 (E_RNA) where: Base-Base interactions energy: -862.467 where: short stacking energy: -350.034 Base-Backbone interact. energy: -1.060 local terms energy: -351.912637 where: bonds (distance) C4'-P energy: -71.806 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -75.559 flat angles P-C4'-P energy: -41.168 tors. eta vs tors. theta energy: -94.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1197.038163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.038163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.038163 (E_RNA) where: Base-Base interactions energy: -834.243 where: short stacking energy: -369.450 Base-Backbone interact. energy: -0.579 local terms energy: -362.217023 where: bonds (distance) C4'-P energy: -55.236 bonds (distance) P-C4' energy: -71.054 flat angles C4'-P-C4' energy: -72.906 flat angles P-C4'-P energy: -58.763 tors. eta vs tors. theta energy: -104.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1119.149890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.149890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.149890 (E_RNA) where: Base-Base interactions energy: -793.555 where: short stacking energy: -351.285 Base-Backbone interact. energy: -2.317 local terms energy: -323.277897 where: bonds (distance) C4'-P energy: -57.968 bonds (distance) P-C4' energy: -55.241 flat angles C4'-P-C4' energy: -67.611 flat angles P-C4'-P energy: -51.798 tors. eta vs tors. theta energy: -90.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1087.825962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.825962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.825962 (E_RNA) where: Base-Base interactions energy: -770.908 where: short stacking energy: -340.595 Base-Backbone interact. energy: -3.051 local terms energy: -313.867075 where: bonds (distance) C4'-P energy: -41.889 bonds (distance) P-C4' energy: -57.058 flat angles C4'-P-C4' energy: -64.972 flat angles P-C4'-P energy: -58.343 tors. eta vs tors. theta energy: -91.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -971.331116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.331116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.331116 (E_RNA) where: Base-Base interactions energy: -678.574 where: short stacking energy: -286.564 Base-Backbone interact. energy: -1.075 local terms energy: -291.682516 where: bonds (distance) C4'-P energy: -55.895 bonds (distance) P-C4' energy: -46.653 flat angles C4'-P-C4' energy: -68.862 flat angles P-C4'-P energy: -45.112 tors. eta vs tors. theta energy: -75.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -925.799722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.799722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.799722 (E_RNA) where: Base-Base interactions energy: -637.733 where: short stacking energy: -281.395 Base-Backbone interact. energy: 1.366 local terms energy: -289.433552 where: bonds (distance) C4'-P energy: -67.005 bonds (distance) P-C4' energy: -57.283 flat angles C4'-P-C4' energy: -62.957 flat angles P-C4'-P energy: -31.510 tors. eta vs tors. theta energy: -70.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -641.330791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.330791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.330791 (E_RNA) where: Base-Base interactions energy: -386.873 where: short stacking energy: -185.003 Base-Backbone interact. energy: 0.603 local terms energy: -255.060706 where: bonds (distance) C4'-P energy: -54.199 bonds (distance) P-C4' energy: -68.817 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -35.615 tors. eta vs tors. theta energy: -33.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -404.165459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.165459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.165459 (E_RNA) where: Base-Base interactions energy: -196.744 where: short stacking energy: -138.924 Base-Backbone interact. energy: 1.368 local terms energy: -208.789331 where: bonds (distance) C4'-P energy: -53.175 bonds (distance) P-C4' energy: -59.753 flat angles C4'-P-C4' energy: -61.088 flat angles P-C4'-P energy: -25.028 tors. eta vs tors. theta energy: -9.744 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: 482 Temperature: 0.900000 Total energy: -1338.717926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.717926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.717926 (E_RNA) where: Base-Base interactions energy: -945.230 where: short stacking energy: -384.359 Base-Backbone interact. energy: -0.962 local terms energy: -392.525363 where: bonds (distance) C4'-P energy: -77.489 bonds (distance) P-C4' energy: -68.306 flat angles C4'-P-C4' energy: -81.407 flat angles P-C4'-P energy: -53.113 tors. eta vs tors. theta energy: -112.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1274.458150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.458150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.458150 (E_RNA) where: Base-Base interactions energy: -921.741 where: short stacking energy: -373.590 Base-Backbone interact. energy: -1.759 local terms energy: -350.958159 where: bonds (distance) C4'-P energy: -70.301 bonds (distance) P-C4' energy: -65.452 flat angles C4'-P-C4' energy: -71.074 flat angles P-C4'-P energy: -45.531 tors. eta vs tors. theta energy: -98.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1231.276101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.276101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.276101 (E_RNA) where: Base-Base interactions energy: -872.258 where: short stacking energy: -356.555 Base-Backbone interact. energy: -0.068 local terms energy: -358.949617 where: bonds (distance) C4'-P energy: -67.428 bonds (distance) P-C4' energy: -70.356 flat angles C4'-P-C4' energy: -71.546 flat angles P-C4'-P energy: -42.000 tors. eta vs tors. theta energy: -107.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1203.995151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.995151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.995151 (E_RNA) where: Base-Base interactions energy: -853.271 where: short stacking energy: -338.558 Base-Backbone interact. energy: 0.628 local terms energy: -351.351764 where: bonds (distance) C4'-P energy: -56.790 bonds (distance) P-C4' energy: -77.104 flat angles C4'-P-C4' energy: -69.628 flat angles P-C4'-P energy: -51.565 tors. eta vs tors. theta energy: -96.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1121.971794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.971794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.971794 (E_RNA) where: Base-Base interactions energy: -789.668 where: short stacking energy: -346.272 Base-Backbone interact. energy: 0.376 local terms energy: -332.678990 where: bonds (distance) C4'-P energy: -57.960 bonds (distance) P-C4' energy: -59.509 flat angles C4'-P-C4' energy: -67.129 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -99.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1074.192542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.192542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.192542 (E_RNA) where: Base-Base interactions energy: -751.497 where: short stacking energy: -339.481 Base-Backbone interact. energy: 0.173 local terms energy: -322.867882 where: bonds (distance) C4'-P energy: -60.131 bonds (distance) P-C4' energy: -63.878 flat angles C4'-P-C4' energy: -67.343 flat angles P-C4'-P energy: -43.977 tors. eta vs tors. theta energy: -87.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -984.306096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.306096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.306096 (E_RNA) where: Base-Base interactions energy: -685.976 where: short stacking energy: -285.630 Base-Backbone interact. energy: -2.028 local terms energy: -296.301889 where: bonds (distance) C4'-P energy: -49.100 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -67.999 flat angles P-C4'-P energy: -45.723 tors. eta vs tors. theta energy: -72.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -881.736086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.736086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.736086 (E_RNA) where: Base-Base interactions energy: -580.641 where: short stacking energy: -264.450 Base-Backbone interact. energy: -1.425 local terms energy: -299.670411 where: bonds (distance) C4'-P energy: -57.899 bonds (distance) P-C4' energy: -60.534 flat angles C4'-P-C4' energy: -68.629 flat angles P-C4'-P energy: -43.589 tors. eta vs tors. theta energy: -69.019 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: 3 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -648.223617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.223617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.223617 (E_RNA) where: Base-Base interactions energy: -387.885 where: short stacking energy: -215.292 Base-Backbone interact. energy: 3.020 local terms energy: -263.358422 where: bonds (distance) C4'-P energy: -52.132 bonds (distance) P-C4' energy: -61.780 flat angles C4'-P-C4' energy: -64.265 flat angles P-C4'-P energy: -42.425 tors. eta vs tors. theta energy: -42.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -430.242886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.242886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.242886 (E_RNA) where: Base-Base interactions energy: -208.563 where: short stacking energy: -140.164 Base-Backbone interact. energy: 0.399 local terms energy: -222.079423 where: bonds (distance) C4'-P energy: -67.091 bonds (distance) P-C4' energy: -51.663 flat angles C4'-P-C4' energy: -57.692 flat angles P-C4'-P energy: -34.748 tors. eta vs tors. theta energy: -10.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1343.742380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.742380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.742380 (E_RNA) where: Base-Base interactions energy: -950.312 where: short stacking energy: -393.015 Base-Backbone interact. energy: 0.814 local terms energy: -394.244168 where: bonds (distance) C4'-P energy: -71.937 bonds (distance) P-C4' energy: -76.029 flat angles C4'-P-C4' energy: -75.311 flat angles P-C4'-P energy: -60.651 tors. eta vs tors. theta energy: -110.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1287.931025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.931025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.931025 (E_RNA) where: Base-Base interactions energy: -923.161 where: short stacking energy: -385.594 Base-Backbone interact. energy: -0.978 local terms energy: -363.792885 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -67.875 flat angles C4'-P-C4' energy: -83.755 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -98.093 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: 483 Temperature: 1.000000 Total energy: -1251.620594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.620594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.620594 (E_RNA) where: Base-Base interactions energy: -885.345 where: short stacking energy: -361.005 Base-Backbone interact. energy: -0.614 local terms energy: -365.661050 where: bonds (distance) C4'-P energy: -57.517 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -83.153 flat angles P-C4'-P energy: -53.347 tors. eta vs tors. theta energy: -108.545 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: 10 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1208.202736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.202736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.202736 (E_RNA) where: Base-Base interactions energy: -854.622 where: short stacking energy: -365.443 Base-Backbone interact. energy: -1.094 local terms energy: -352.486347 where: bonds (distance) C4'-P energy: -69.416 bonds (distance) P-C4' energy: -70.634 flat angles C4'-P-C4' energy: -69.874 flat angles P-C4'-P energy: -46.353 tors. eta vs tors. theta energy: -96.210 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: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1116.634344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.634344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.634344 (E_RNA) where: Base-Base interactions energy: -776.869 where: short stacking energy: -349.663 Base-Backbone interact. energy: -1.857 local terms energy: -337.908955 where: bonds (distance) C4'-P energy: -53.547 bonds (distance) P-C4' energy: -66.634 flat angles C4'-P-C4' energy: -78.894 flat angles P-C4'-P energy: -47.942 tors. eta vs tors. theta energy: -90.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1079.926758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.926758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.926758 (E_RNA) where: Base-Base interactions energy: -744.916 where: short stacking energy: -333.067 Base-Backbone interact. energy: 0.882 local terms energy: -335.892139 where: bonds (distance) C4'-P energy: -51.926 bonds (distance) P-C4' energy: -66.312 flat angles C4'-P-C4' energy: -73.701 flat angles P-C4'-P energy: -51.440 tors. eta vs tors. theta energy: -92.514 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: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -969.938725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.938725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.938725 (E_RNA) where: Base-Base interactions energy: -687.489 where: short stacking energy: -275.793 Base-Backbone interact. energy: 1.068 local terms energy: -283.517866 where: bonds (distance) C4'-P energy: -52.096 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -68.031 flat angles P-C4'-P energy: -43.578 tors. eta vs tors. theta energy: -61.935 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: 6 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -914.100083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.100083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.100083 (E_RNA) where: Base-Base interactions energy: -631.885 where: short stacking energy: -266.239 Base-Backbone interact. energy: 1.228 local terms energy: -283.443196 where: bonds (distance) C4'-P energy: -56.482 bonds (distance) P-C4' energy: -59.828 flat angles C4'-P-C4' energy: -61.862 flat angles P-C4'-P energy: -38.800 tors. eta vs tors. theta energy: -66.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -592.210545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.210545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.210545 (E_RNA) where: Base-Base interactions energy: -335.281 where: short stacking energy: -180.324 Base-Backbone interact. energy: -0.710 local terms energy: -256.219584 where: bonds (distance) C4'-P energy: -67.498 bonds (distance) P-C4' energy: -59.196 flat angles C4'-P-C4' energy: -61.496 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -20.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -447.156532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.156532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.156532 (E_RNA) where: Base-Base interactions energy: -254.227 where: short stacking energy: -148.980 Base-Backbone interact. energy: -1.802 local terms energy: -191.127375 where: bonds (distance) C4'-P energy: -55.471 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -33.159 flat angles P-C4'-P energy: -35.858 tors. eta vs tors. theta energy: -5.179 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: 484 Temperature: 0.900000 Total energy: -1349.781538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.781538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.781538 (E_RNA) where: Base-Base interactions energy: -960.341 where: short stacking energy: -397.249 Base-Backbone interact. energy: -1.491 local terms energy: -387.949809 where: bonds (distance) C4'-P energy: -73.604 bonds (distance) P-C4' energy: -67.722 flat angles C4'-P-C4' energy: -77.422 flat angles P-C4'-P energy: -55.062 tors. eta vs tors. theta energy: -114.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1264.373659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.373659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.373659 (E_RNA) where: Base-Base interactions energy: -888.857 where: short stacking energy: -363.055 Base-Backbone interact. energy: -1.256 local terms energy: -374.260892 where: bonds (distance) C4'-P energy: -67.990 bonds (distance) P-C4' energy: -76.826 flat angles C4'-P-C4' energy: -78.969 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -92.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1229.500183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.500183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.500183 (E_RNA) where: Base-Base interactions energy: -857.045 where: short stacking energy: -378.175 Base-Backbone interact. energy: 0.350 local terms energy: -372.805542 where: bonds (distance) C4'-P energy: -65.150 bonds (distance) P-C4' energy: -65.118 flat angles C4'-P-C4' energy: -77.370 flat angles P-C4'-P energy: -57.186 tors. eta vs tors. theta energy: -107.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1215.409986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.409986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.409986 (E_RNA) where: Base-Base interactions energy: -858.318 where: short stacking energy: -350.470 Base-Backbone interact. energy: -1.467 local terms energy: -355.624619 where: bonds (distance) C4'-P energy: -63.698 bonds (distance) P-C4' energy: -66.701 flat angles C4'-P-C4' energy: -79.745 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -94.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1111.979317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.979317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.979317 (E_RNA) where: Base-Base interactions energy: -764.840 where: short stacking energy: -335.900 Base-Backbone interact. energy: 0.919 local terms energy: -348.057576 where: bonds (distance) C4'-P energy: -61.776 bonds (distance) P-C4' energy: -55.900 flat angles C4'-P-C4' energy: -83.377 flat angles P-C4'-P energy: -51.579 tors. eta vs tors. theta energy: -95.426 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: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1085.933298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.933298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.933298 (E_RNA) where: Base-Base interactions energy: -748.565 where: short stacking energy: -324.588 Base-Backbone interact. energy: 0.947 local terms energy: -338.315769 where: bonds (distance) C4'-P energy: -66.680 bonds (distance) P-C4' energy: -59.799 flat angles C4'-P-C4' energy: -77.367 flat angles P-C4'-P energy: -49.595 tors. eta vs tors. theta energy: -84.875 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: 5 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1017.349915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.349915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.349915 (E_RNA) where: Base-Base interactions energy: -698.183 where: short stacking energy: -274.251 Base-Backbone interact. energy: -1.990 local terms energy: -317.177310 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -63.637 flat angles C4'-P-C4' energy: -68.780 flat angles P-C4'-P energy: -42.067 tors. eta vs tors. theta energy: -76.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -890.916304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.916304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.916304 (E_RNA) where: Base-Base interactions energy: -615.497 where: short stacking energy: -256.957 Base-Backbone interact. energy: 3.427 local terms energy: -278.846219 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -57.687 flat angles C4'-P-C4' energy: -54.806 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: -62.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -600.866167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.866167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.866167 (E_RNA) where: Base-Base interactions energy: -357.222 where: short stacking energy: -193.947 Base-Backbone interact. energy: -0.544 local terms energy: -243.100435 where: bonds (distance) C4'-P energy: -55.650 bonds (distance) P-C4' energy: -63.700 flat angles C4'-P-C4' energy: -58.798 flat angles P-C4'-P energy: -24.984 tors. eta vs tors. theta energy: -39.969 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: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -423.147592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.147592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.147592 (E_RNA) where: Base-Base interactions energy: -209.079 where: short stacking energy: -130.593 Base-Backbone interact. energy: 1.721 local terms energy: -215.790164 where: bonds (distance) C4'-P energy: -62.398 bonds (distance) P-C4' energy: -56.504 flat angles C4'-P-C4' energy: -56.767 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1366.512064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.512064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.512064 (E_RNA) where: Base-Base interactions energy: -971.283 where: short stacking energy: -406.362 Base-Backbone interact. energy: -1.434 local terms energy: -393.794567 where: bonds (distance) C4'-P energy: -59.344 bonds (distance) P-C4' energy: -75.679 flat angles C4'-P-C4' energy: -89.237 flat angles P-C4'-P energy: -56.036 tors. eta vs tors. theta energy: -113.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1265.205333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.205333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.205333 (E_RNA) where: Base-Base interactions energy: -878.361 where: short stacking energy: -369.007 Base-Backbone interact. energy: 1.680 local terms energy: -388.523760 where: bonds (distance) C4'-P energy: -67.398 bonds (distance) P-C4' energy: -76.731 flat angles C4'-P-C4' energy: -73.037 flat angles P-C4'-P energy: -54.806 tors. eta vs tors. theta energy: -116.552 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1263.324722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.324722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.324722 (E_RNA) where: Base-Base interactions energy: -900.569 where: short stacking energy: -365.525 Base-Backbone interact. energy: -0.437 local terms energy: -362.318766 where: bonds (distance) C4'-P energy: -64.681 bonds (distance) P-C4' energy: -78.536 flat angles C4'-P-C4' energy: -77.403 flat angles P-C4'-P energy: -49.280 tors. eta vs tors. theta energy: -92.419 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: 10 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1224.863364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.863364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.863364 (E_RNA) where: Base-Base interactions energy: -851.486 where: short stacking energy: -370.230 Base-Backbone interact. energy: -0.766 local terms energy: -372.611785 where: bonds (distance) C4'-P energy: -59.286 bonds (distance) P-C4' energy: -66.403 flat angles C4'-P-C4' energy: -84.158 flat angles P-C4'-P energy: -55.154 tors. eta vs tors. theta energy: -107.611 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: 8 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1133.348419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.348419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.348419 (E_RNA) where: Base-Base interactions energy: -787.962 where: short stacking energy: -334.834 Base-Backbone interact. energy: -0.583 local terms energy: -344.803049 where: bonds (distance) C4'-P energy: -64.749 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -79.760 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -86.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1030.265820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.265820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.265820 (E_RNA) where: Base-Base interactions energy: -715.744 where: short stacking energy: -325.561 Base-Backbone interact. energy: -1.638 local terms energy: -312.883753 where: bonds (distance) C4'-P energy: -57.133 bonds (distance) P-C4' energy: -54.156 flat angles C4'-P-C4' energy: -69.793 flat angles P-C4'-P energy: -42.005 tors. eta vs tors. theta energy: -89.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -971.636963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.636963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.636963 (E_RNA) where: Base-Base interactions energy: -676.391 where: short stacking energy: -285.156 Base-Backbone interact. energy: -2.855 local terms energy: -292.390667 where: bonds (distance) C4'-P energy: -43.518 bonds (distance) P-C4' energy: -52.959 flat angles C4'-P-C4' energy: -76.934 flat angles P-C4'-P energy: -44.398 tors. eta vs tors. theta energy: -74.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -914.377155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.377155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.377155 (E_RNA) where: Base-Base interactions energy: -633.481 where: short stacking energy: -275.862 Base-Backbone interact. energy: -0.166 local terms energy: -280.729970 where: bonds (distance) C4'-P energy: -59.546 bonds (distance) P-C4' energy: -64.443 flat angles C4'-P-C4' energy: -56.402 flat angles P-C4'-P energy: -35.893 tors. eta vs tors. theta energy: -64.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -570.726652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.726652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.726652 (E_RNA) where: Base-Base interactions energy: -339.729 where: short stacking energy: -178.902 Base-Backbone interact. energy: -0.620 local terms energy: -230.376918 where: bonds (distance) C4'-P energy: -44.224 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -58.732 flat angles P-C4'-P energy: -32.430 tors. eta vs tors. theta energy: -33.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -416.427402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.427402 (E_RNA) where: Base-Base interactions energy: -230.929 where: short stacking energy: -117.662 Base-Backbone interact. energy: -2.497 local terms energy: -183.000989 where: bonds (distance) C4'-P energy: -63.194 bonds (distance) P-C4' energy: -53.569 flat angles C4'-P-C4' energy: -49.691 flat angles P-C4'-P energy: -24.900 tors. eta vs tors. theta energy: 8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1343.962312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.962312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.962312 (E_RNA) where: Base-Base interactions energy: -961.034 where: short stacking energy: -398.516 Base-Backbone interact. energy: -0.690 local terms energy: -382.238379 where: bonds (distance) C4'-P energy: -58.750 bonds (distance) P-C4' energy: -74.054 flat angles C4'-P-C4' energy: -79.714 flat angles P-C4'-P energy: -57.347 tors. eta vs tors. theta energy: -112.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1270.857406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.857406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.857406 (E_RNA) where: Base-Base interactions energy: -880.974 where: short stacking energy: -371.554 Base-Backbone interact. energy: -1.211 local terms energy: -388.672331 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -76.946 flat angles C4'-P-C4' energy: -77.891 flat angles P-C4'-P energy: -57.664 tors. eta vs tors. theta energy: -112.030 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: 3, replica: 7 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1237.390343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.390343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.390343 (E_RNA) where: Base-Base interactions energy: -903.229 where: short stacking energy: -360.306 Base-Backbone interact. energy: -1.410 local terms energy: -332.751363 where: bonds (distance) C4'-P energy: -64.290 bonds (distance) P-C4' energy: -59.175 flat angles C4'-P-C4' energy: -69.192 flat angles P-C4'-P energy: -52.533 tors. eta vs tors. theta energy: -87.561 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: 10 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1223.341124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.341124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.341124 (E_RNA) where: Base-Base interactions energy: -859.488 where: short stacking energy: -354.114 Base-Backbone interact. energy: -1.457 local terms energy: -362.395586 where: bonds (distance) C4'-P energy: -64.143 bonds (distance) P-C4' energy: -66.431 flat angles C4'-P-C4' energy: -78.263 flat angles P-C4'-P energy: -53.326 tors. eta vs tors. theta energy: -100.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1100.161829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.161829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.161829 (E_RNA) where: Base-Base interactions energy: -759.716 where: short stacking energy: -319.044 Base-Backbone interact. energy: -1.543 local terms energy: -338.902447 where: bonds (distance) C4'-P energy: -65.606 bonds (distance) P-C4' energy: -64.911 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -47.171 tors. eta vs tors. theta energy: -90.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1095.147052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.147052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.147052 (E_RNA) where: Base-Base interactions energy: -769.363 where: short stacking energy: -312.036 Base-Backbone interact. energy: -1.355 local terms energy: -324.429406 where: bonds (distance) C4'-P energy: -65.027 bonds (distance) P-C4' energy: -66.161 flat angles C4'-P-C4' energy: -63.148 flat angles P-C4'-P energy: -47.074 tors. eta vs tors. theta energy: -83.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -971.405237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.405237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.405237 (E_RNA) where: Base-Base interactions energy: -693.048 where: short stacking energy: -295.746 Base-Backbone interact. energy: 3.165 local terms energy: -281.521826 where: bonds (distance) C4'-P energy: -48.697 bonds (distance) P-C4' energy: -66.697 flat angles C4'-P-C4' energy: -54.215 flat angles P-C4'-P energy: -41.323 tors. eta vs tors. theta energy: -70.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -921.762159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.762159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.762159 (E_RNA) where: Base-Base interactions energy: -642.558 where: short stacking energy: -269.103 Base-Backbone interact. energy: -0.502 local terms energy: -278.702735 where: bonds (distance) C4'-P energy: -57.426 bonds (distance) P-C4' energy: -47.274 flat angles C4'-P-C4' energy: -66.823 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -68.826 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: 3 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -549.300333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.300333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.300333 (E_RNA) where: Base-Base interactions energy: -321.751 where: short stacking energy: -188.133 Base-Backbone interact. energy: -2.399 local terms energy: -225.150393 where: bonds (distance) C4'-P energy: -53.758 bonds (distance) P-C4' energy: -68.534 flat angles C4'-P-C4' energy: -66.085 flat angles P-C4'-P energy: -18.683 tors. eta vs tors. theta energy: -18.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -382.821534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.821534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.821534 (E_RNA) where: Base-Base interactions energy: -187.462 where: short stacking energy: -115.294 Base-Backbone interact. energy: -1.592 local terms energy: -193.767447 where: bonds (distance) C4'-P energy: -65.535 bonds (distance) P-C4' energy: -56.436 flat angles C4'-P-C4' energy: -44.214 flat angles P-C4'-P energy: -22.969 tors. eta vs tors. theta energy: -4.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1354.240445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.240445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.240445 (E_RNA) where: Base-Base interactions energy: -968.588 where: short stacking energy: -401.811 Base-Backbone interact. energy: -3.127 local terms energy: -382.524728 where: bonds (distance) C4'-P energy: -71.982 bonds (distance) P-C4' energy: -61.034 flat angles C4'-P-C4' energy: -77.352 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -116.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1263.145643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.145643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.145643 (E_RNA) where: Base-Base interactions energy: -896.764 where: short stacking energy: -354.668 Base-Backbone interact. energy: -1.634 local terms energy: -364.747211 where: bonds (distance) C4'-P energy: -74.154 bonds (distance) P-C4' energy: -60.928 flat angles C4'-P-C4' energy: -83.203 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -90.493 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: 9 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1236.047668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.047668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.047668 (E_RNA) where: Base-Base interactions energy: -868.175 where: short stacking energy: -363.787 Base-Backbone interact. energy: 1.183 local terms energy: -369.055679 where: bonds (distance) C4'-P energy: -74.124 bonds (distance) P-C4' energy: -56.525 flat angles C4'-P-C4' energy: -72.485 flat angles P-C4'-P energy: -53.614 tors. eta vs tors. theta energy: -112.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1214.102068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.102068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.102068 (E_RNA) where: Base-Base interactions energy: -850.998 where: short stacking energy: -345.083 Base-Backbone interact. energy: -1.555 local terms energy: -361.549182 where: bonds (distance) C4'-P energy: -63.552 bonds (distance) P-C4' energy: -68.256 flat angles C4'-P-C4' energy: -73.271 flat angles P-C4'-P energy: -55.411 tors. eta vs tors. theta energy: -101.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1099.004348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.004348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.004348 (E_RNA) where: Base-Base interactions energy: -755.840 where: short stacking energy: -316.098 Base-Backbone interact. energy: -1.594 local terms energy: -341.570736 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -68.790 flat angles C4'-P-C4' energy: -71.754 flat angles P-C4'-P energy: -45.315 tors. eta vs tors. theta energy: -91.962 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: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1073.382822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.382822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.382822 (E_RNA) where: Base-Base interactions energy: -751.652 where: short stacking energy: -309.497 Base-Backbone interact. energy: 0.801 local terms energy: -322.531596 where: bonds (distance) C4'-P energy: -47.967 bonds (distance) P-C4' energy: -67.265 flat angles C4'-P-C4' energy: -68.883 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -89.978 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: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -937.186341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.186341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.186341 (E_RNA) where: Base-Base interactions energy: -648.093 where: short stacking energy: -285.607 Base-Backbone interact. energy: -0.915 local terms energy: -288.178582 where: bonds (distance) C4'-P energy: -67.622 bonds (distance) P-C4' energy: -57.996 flat angles C4'-P-C4' energy: -52.087 flat angles P-C4'-P energy: -43.150 tors. eta vs tors. theta energy: -67.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -902.692059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.692059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.692059 (E_RNA) where: Base-Base interactions energy: -640.494 where: short stacking energy: -266.693 Base-Backbone interact. energy: -0.215 local terms energy: -261.983518 where: bonds (distance) C4'-P energy: -59.692 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -50.762 flat angles P-C4'-P energy: -39.401 tors. eta vs tors. theta energy: -54.000 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: 3 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -560.855572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.855572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.855572 (E_RNA) where: Base-Base interactions energy: -340.217 where: short stacking energy: -177.387 Base-Backbone interact. energy: -0.910 local terms energy: -219.728120 where: bonds (distance) C4'-P energy: -58.581 bonds (distance) P-C4' energy: -61.974 flat angles C4'-P-C4' energy: -50.978 flat angles P-C4'-P energy: -26.017 tors. eta vs tors. theta energy: -22.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -488.159280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.159280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.159280 (E_RNA) where: Base-Base interactions energy: -296.201 where: short stacking energy: -144.814 Base-Backbone interact. energy: 0.556 local terms energy: -192.514264 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -57.154 flat angles C4'-P-C4' energy: -43.197 flat angles P-C4'-P energy: -27.625 tors. eta vs tors. theta energy: -11.346 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: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1345.186934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.186934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.186934 (E_RNA) where: Base-Base interactions energy: -947.757 where: short stacking energy: -386.300 Base-Backbone interact. energy: -1.664 local terms energy: -395.765255 where: bonds (distance) C4'-P energy: -78.102 bonds (distance) P-C4' energy: -71.871 flat angles C4'-P-C4' energy: -77.215 flat angles P-C4'-P energy: -58.188 tors. eta vs tors. theta energy: -110.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1257.015468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.015468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.015468 (E_RNA) where: Base-Base interactions energy: -907.007 where: short stacking energy: -369.108 Base-Backbone interact. energy: 3.062 local terms energy: -353.070883 where: bonds (distance) C4'-P energy: -72.963 bonds (distance) P-C4' energy: -65.449 flat angles C4'-P-C4' energy: -75.823 flat angles P-C4'-P energy: -52.028 tors. eta vs tors. theta energy: -86.808 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: 3, replica: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1227.984078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.984078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.984078 (E_RNA) where: Base-Base interactions energy: -853.510 where: short stacking energy: -363.265 Base-Backbone interact. energy: -0.939 local terms energy: -373.535376 where: bonds (distance) C4'-P energy: -66.809 bonds (distance) P-C4' energy: -70.040 flat angles C4'-P-C4' energy: -79.863 flat angles P-C4'-P energy: -48.798 tors. eta vs tors. theta energy: -108.025 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: 10 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1196.909461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.909461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.909461 (E_RNA) where: Base-Base interactions energy: -831.339 where: short stacking energy: -354.630 Base-Backbone interact. energy: -1.457 local terms energy: -364.112819 where: bonds (distance) C4'-P energy: -57.016 bonds (distance) P-C4' energy: -62.317 flat angles C4'-P-C4' energy: -74.028 flat angles P-C4'-P energy: -61.657 tors. eta vs tors. theta energy: -109.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1088.101900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.101900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.101900 (E_RNA) where: Base-Base interactions energy: -771.827 where: short stacking energy: -325.001 Base-Backbone interact. energy: -2.055 local terms energy: -314.219864 where: bonds (distance) C4'-P energy: -56.429 bonds (distance) P-C4' energy: -57.217 flat angles C4'-P-C4' energy: -70.098 flat angles P-C4'-P energy: -42.915 tors. eta vs tors. theta energy: -87.560 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: 8 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1024.446485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.446485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.446485 (E_RNA) where: Base-Base interactions energy: -717.223 where: short stacking energy: -309.310 Base-Backbone interact. energy: -1.255 local terms energy: -305.969013 where: bonds (distance) C4'-P energy: -52.075 bonds (distance) P-C4' energy: -64.253 flat angles C4'-P-C4' energy: -70.049 flat angles P-C4'-P energy: -33.588 tors. eta vs tors. theta energy: -86.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -952.707761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.707761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.707761 (E_RNA) where: Base-Base interactions energy: -677.241 where: short stacking energy: -272.552 Base-Backbone interact. energy: -0.904 local terms energy: -274.563337 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -48.333 flat angles C4'-P-C4' energy: -64.524 flat angles P-C4'-P energy: -44.702 tors. eta vs tors. theta energy: -65.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -977.314756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.314756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.314756 (E_RNA) where: Base-Base interactions energy: -681.503 where: short stacking energy: -295.732 Base-Backbone interact. energy: -2.056 local terms energy: -293.755518 where: bonds (distance) C4'-P energy: -55.589 bonds (distance) P-C4' energy: -62.957 flat angles C4'-P-C4' energy: -65.818 flat angles P-C4'-P energy: -40.810 tors. eta vs tors. theta energy: -68.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -611.435577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.435577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.435577 (E_RNA) where: Base-Base interactions energy: -346.633 where: short stacking energy: -175.102 Base-Backbone interact. energy: -0.839 local terms energy: -263.963214 where: bonds (distance) C4'-P energy: -69.541 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -55.829 flat angles P-C4'-P energy: -41.531 tors. eta vs tors. theta energy: -35.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -485.842028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.842028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.842028 (E_RNA) where: Base-Base interactions energy: -279.414 where: short stacking energy: -146.487 Base-Backbone interact. energy: -0.906 local terms energy: -205.522235 where: bonds (distance) C4'-P energy: -70.480 bonds (distance) P-C4' energy: -49.584 flat angles C4'-P-C4' energy: -60.521 flat angles P-C4'-P energy: -15.278 tors. eta vs tors. theta energy: -9.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1358.482636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.482636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.482636 (E_RNA) where: Base-Base interactions energy: -965.902 where: short stacking energy: -391.241 Base-Backbone interact. energy: -3.276 local terms energy: -389.304618 where: bonds (distance) C4'-P energy: -69.702 bonds (distance) P-C4' energy: -69.636 flat angles C4'-P-C4' energy: -82.845 flat angles P-C4'-P energy: -55.503 tors. eta vs tors. theta energy: -111.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1275.578159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.578159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.578159 (E_RNA) where: Base-Base interactions energy: -910.111 where: short stacking energy: -347.035 Base-Backbone interact. energy: -1.377 local terms energy: -364.089880 where: bonds (distance) C4'-P energy: -74.908 bonds (distance) P-C4' energy: -70.971 flat angles C4'-P-C4' energy: -79.953 flat angles P-C4'-P energy: -51.922 tors. eta vs tors. theta energy: -86.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1230.182778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.182778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.182778 (E_RNA) where: Base-Base interactions energy: -873.926 where: short stacking energy: -372.003 Base-Backbone interact. energy: 0.315 local terms energy: -356.571945 where: bonds (distance) C4'-P energy: -56.029 bonds (distance) P-C4' energy: -74.074 flat angles C4'-P-C4' energy: -70.116 flat angles P-C4'-P energy: -54.205 tors. eta vs tors. theta energy: -102.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1206.337128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.337128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.337128 (E_RNA) where: Base-Base interactions energy: -841.418 where: short stacking energy: -358.796 Base-Backbone interact. energy: -0.953 local terms energy: -363.966217 where: bonds (distance) C4'-P energy: -62.860 bonds (distance) P-C4' energy: -70.888 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -53.278 tors. eta vs tors. theta energy: -104.024 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: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1128.398061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.398061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.398061 (E_RNA) where: Base-Base interactions energy: -785.526 where: short stacking energy: -356.001 Base-Backbone interact. energy: -0.664 local terms energy: -342.208754 where: bonds (distance) C4'-P energy: -64.104 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -72.341 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -100.375 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: 8 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1059.681769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.681769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.681769 (E_RNA) where: Base-Base interactions energy: -738.117 where: short stacking energy: -318.652 Base-Backbone interact. energy: 1.550 local terms energy: -323.114365 where: bonds (distance) C4'-P energy: -60.869 bonds (distance) P-C4' energy: -63.359 flat angles C4'-P-C4' energy: -81.348 flat angles P-C4'-P energy: -39.711 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: 7, replica: 5 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -955.540334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.540334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.540334 (E_RNA) where: Base-Base interactions energy: -666.547 where: short stacking energy: -271.165 Base-Backbone interact. energy: -1.358 local terms energy: -287.635167 where: bonds (distance) C4'-P energy: -56.821 bonds (distance) P-C4' energy: -54.872 flat angles C4'-P-C4' energy: -69.166 flat angles P-C4'-P energy: -38.979 tors. eta vs tors. theta energy: -67.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -927.654112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.654112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.654112 (E_RNA) where: Base-Base interactions energy: -647.936 where: short stacking energy: -272.691 Base-Backbone interact. energy: -0.228 local terms energy: -279.489937 where: bonds (distance) C4'-P energy: -51.227 bonds (distance) P-C4' energy: -58.535 flat angles C4'-P-C4' energy: -60.209 flat angles P-C4'-P energy: -37.361 tors. eta vs tors. theta energy: -72.158 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: 3 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -572.311008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.311008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.311008 (E_RNA) where: Base-Base interactions energy: -339.057 where: short stacking energy: -181.961 Base-Backbone interact. energy: -0.223 local terms energy: -233.030847 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -52.358 flat angles C4'-P-C4' energy: -52.909 flat angles P-C4'-P energy: -28.039 tors. eta vs tors. theta energy: -47.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -467.471780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.471780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.471780 (E_RNA) where: Base-Base interactions energy: -264.099 where: short stacking energy: -144.492 Base-Backbone interact. energy: -1.252 local terms energy: -202.121593 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -69.733 flat angles C4'-P-C4' energy: -62.307 flat angles P-C4'-P energy: -18.042 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1337.313262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.313262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.313262 (E_RNA) where: Base-Base interactions energy: -956.114 where: short stacking energy: -391.383 Base-Backbone interact. energy: -1.822 local terms energy: -379.377460 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -80.671 flat angles P-C4'-P energy: -50.522 tors. eta vs tors. theta energy: -116.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1265.490247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.490247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.490247 (E_RNA) where: Base-Base interactions energy: -913.211 where: short stacking energy: -361.503 Base-Backbone interact. energy: 7.017 local terms energy: -359.295931 where: bonds (distance) C4'-P energy: -68.117 bonds (distance) P-C4' energy: -67.190 flat angles C4'-P-C4' energy: -82.955 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -91.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1250.632320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.632320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.632320 (E_RNA) where: Base-Base interactions energy: -881.591 where: short stacking energy: -393.587 Base-Backbone interact. energy: -0.829 local terms energy: -368.212491 where: bonds (distance) C4'-P energy: -69.016 bonds (distance) P-C4' energy: -71.554 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -112.520 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: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1201.133710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.133710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.133710 (E_RNA) where: Base-Base interactions energy: -845.789 where: short stacking energy: -352.882 Base-Backbone interact. energy: -1.736 local terms energy: -353.608523 where: bonds (distance) C4'-P energy: -63.529 bonds (distance) P-C4' energy: -68.791 flat angles C4'-P-C4' energy: -76.450 flat angles P-C4'-P energy: -43.996 tors. eta vs tors. theta energy: -100.843 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: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1065.836098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.836098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.836098 (E_RNA) where: Base-Base interactions energy: -737.605 where: short stacking energy: -329.042 Base-Backbone interact. energy: -0.216 local terms energy: -328.014925 where: bonds (distance) C4'-P energy: -61.882 bonds (distance) P-C4' energy: -68.233 flat angles C4'-P-C4' energy: -75.256 flat angles P-C4'-P energy: -42.117 tors. eta vs tors. theta energy: -80.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1057.324327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.324327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.324327 (E_RNA) where: Base-Base interactions energy: -727.012 where: short stacking energy: -315.507 Base-Backbone interact. energy: 0.446 local terms energy: -330.758329 where: bonds (distance) C4'-P energy: -77.746 bonds (distance) P-C4' energy: -64.353 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -75.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -968.660823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.660823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.660823 (E_RNA) where: Base-Base interactions energy: -669.330 where: short stacking energy: -268.746 Base-Backbone interact. energy: 1.352 local terms energy: -300.682630 where: bonds (distance) C4'-P energy: -58.290 bonds (distance) P-C4' energy: -65.914 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -53.610 tors. eta vs tors. theta energy: -62.687 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: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -973.374648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.374648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.374648 (E_RNA) where: Base-Base interactions energy: -688.701 where: short stacking energy: -308.673 Base-Backbone interact. energy: -0.977 local terms energy: -283.696490 where: bonds (distance) C4'-P energy: -44.790 bonds (distance) P-C4' energy: -52.564 flat angles C4'-P-C4' energy: -80.250 flat angles P-C4'-P energy: -36.761 tors. eta vs tors. theta energy: -69.331 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: 9, replica: 3 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -598.356235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.356235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.356235 (E_RNA) where: Base-Base interactions energy: -376.909 where: short stacking energy: -197.699 Base-Backbone interact. energy: -0.448 local terms energy: -220.998784 where: bonds (distance) C4'-P energy: -54.787 bonds (distance) P-C4' energy: -49.296 flat angles C4'-P-C4' energy: -53.311 flat angles P-C4'-P energy: -30.398 tors. eta vs tors. theta energy: -33.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -504.134837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.134837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.134837 (E_RNA) where: Base-Base interactions energy: -311.047 where: short stacking energy: -144.787 Base-Backbone interact. energy: 6.939 local terms energy: -200.026625 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -55.086 flat angles P-C4'-P energy: -23.776 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1339.054743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.054743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.054743 (E_RNA) where: Base-Base interactions energy: -949.438 where: short stacking energy: -397.524 Base-Backbone interact. energy: -1.659 local terms energy: -387.957203 where: bonds (distance) C4'-P energy: -69.587 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -75.560 flat angles P-C4'-P energy: -57.957 tors. eta vs tors. theta energy: -114.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1267.330621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.330621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.330621 (E_RNA) where: Base-Base interactions energy: -919.761 where: short stacking energy: -357.156 Base-Backbone interact. energy: 0.470 local terms energy: -348.039997 where: bonds (distance) C4'-P energy: -64.183 bonds (distance) P-C4' energy: -58.626 flat angles C4'-P-C4' energy: -81.403 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -92.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1222.131986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.131986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.131986 (E_RNA) where: Base-Base interactions energy: -869.588 where: short stacking energy: -360.589 Base-Backbone interact. energy: 0.329 local terms energy: -352.872400 where: bonds (distance) C4'-P energy: -63.423 bonds (distance) P-C4' energy: -63.067 flat angles C4'-P-C4' energy: -69.697 flat angles P-C4'-P energy: -56.299 tors. eta vs tors. theta energy: -100.387 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: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1194.920822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.920822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.920822 (E_RNA) where: Base-Base interactions energy: -840.922 where: short stacking energy: -351.965 Base-Backbone interact. energy: -1.026 local terms energy: -352.972944 where: bonds (distance) C4'-P energy: -57.204 bonds (distance) P-C4' energy: -64.358 flat angles C4'-P-C4' energy: -77.494 flat angles P-C4'-P energy: -49.631 tors. eta vs tors. theta energy: -104.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1068.881557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.881557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.881557 (E_RNA) where: Base-Base interactions energy: -750.336 where: short stacking energy: -326.057 Base-Backbone interact. energy: -1.191 local terms energy: -317.354635 where: bonds (distance) C4'-P energy: -52.035 bonds (distance) P-C4' energy: -72.228 flat angles C4'-P-C4' energy: -64.439 flat angles P-C4'-P energy: -42.661 tors. eta vs tors. theta energy: -85.992 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: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1100.694317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.694317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.694317 (E_RNA) where: Base-Base interactions energy: -767.107 where: short stacking energy: -340.705 Base-Backbone interact. energy: -0.075 local terms energy: -333.511967 where: bonds (distance) C4'-P energy: -53.001 bonds (distance) P-C4' energy: -63.431 flat angles C4'-P-C4' energy: -62.450 flat angles P-C4'-P energy: -57.973 tors. eta vs tors. theta energy: -96.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -935.386560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.386560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.386560 (E_RNA) where: Base-Base interactions energy: -640.220 where: short stacking energy: -288.744 Base-Backbone interact. energy: 1.270 local terms energy: -296.435830 where: bonds (distance) C4'-P energy: -59.227 bonds (distance) P-C4' energy: -63.331 flat angles C4'-P-C4' energy: -61.349 flat angles P-C4'-P energy: -38.685 tors. eta vs tors. theta energy: -73.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -943.113686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.113686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.113686 (E_RNA) where: Base-Base interactions energy: -645.378 where: short stacking energy: -290.538 Base-Backbone interact. energy: -0.028 local terms energy: -297.708005 where: bonds (distance) C4'-P energy: -66.141 bonds (distance) P-C4' energy: -59.719 flat angles C4'-P-C4' energy: -60.843 flat angles P-C4'-P energy: -32.612 tors. eta vs tors. theta energy: -78.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -583.965659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.965659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.965659 (E_RNA) where: Base-Base interactions energy: -349.659 where: short stacking energy: -186.747 Base-Backbone interact. energy: -1.297 local terms energy: -233.009551 where: bonds (distance) C4'-P energy: -52.743 bonds (distance) P-C4' energy: -61.865 flat angles C4'-P-C4' energy: -54.262 flat angles P-C4'-P energy: -30.238 tors. eta vs tors. theta energy: -33.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -538.404747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.404747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.404747 (E_RNA) where: Base-Base interactions energy: -321.680 where: short stacking energy: -146.052 Base-Backbone interact. energy: 2.964 local terms energy: -219.689349 where: bonds (distance) C4'-P energy: -60.022 bonds (distance) P-C4' energy: -65.508 flat angles C4'-P-C4' energy: -50.522 flat angles P-C4'-P energy: -24.357 tors. eta vs tors. theta energy: -19.281 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: 7 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1302.190483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.190483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.190483 (E_RNA) where: Base-Base interactions energy: -936.039 where: short stacking energy: -362.942 Base-Backbone interact. energy: -1.315 local terms energy: -364.836699 where: bonds (distance) C4'-P energy: -73.899 bonds (distance) P-C4' energy: -71.961 flat angles C4'-P-C4' energy: -82.704 flat angles P-C4'-P energy: -51.359 tors. eta vs tors. theta energy: -84.913 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: 492 Temperature: 0.950000 Total energy: -1324.011666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.011666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.011666 (E_RNA) where: Base-Base interactions energy: -943.501 where: short stacking energy: -386.293 Base-Backbone interact. energy: -1.524 local terms energy: -378.986194 where: bonds (distance) C4'-P energy: -66.436 bonds (distance) P-C4' energy: -63.417 flat angles C4'-P-C4' energy: -77.406 flat angles P-C4'-P energy: -63.912 tors. eta vs tors. theta energy: -107.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1219.016882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.016882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.016882 (E_RNA) where: Base-Base interactions energy: -858.469 where: short stacking energy: -362.579 Base-Backbone interact. energy: -0.803 local terms energy: -359.744630 where: bonds (distance) C4'-P energy: -57.562 bonds (distance) P-C4' energy: -67.791 flat angles C4'-P-C4' energy: -80.045 flat angles P-C4'-P energy: -55.567 tors. eta vs tors. theta energy: -98.780 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: 492 Temperature: 1.050000 Total energy: -1199.882126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.882126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.882126 (E_RNA) where: Base-Base interactions energy: -827.243 where: short stacking energy: -346.472 Base-Backbone interact. energy: -1.725 local terms energy: -370.913817 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -71.594 flat angles C4'-P-C4' energy: -72.609 flat angles P-C4'-P energy: -47.396 tors. eta vs tors. theta energy: -107.141 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: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1124.811304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.811304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.811304 (E_RNA) where: Base-Base interactions energy: -789.051 where: short stacking energy: -357.765 Base-Backbone interact. energy: 0.971 local terms energy: -336.731478 where: bonds (distance) C4'-P energy: -62.409 bonds (distance) P-C4' energy: -66.023 flat angles C4'-P-C4' energy: -78.500 flat angles P-C4'-P energy: -39.956 tors. eta vs tors. theta energy: -89.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1052.318988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.318988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.318988 (E_RNA) where: Base-Base interactions energy: -739.840 where: short stacking energy: -301.752 Base-Backbone interact. energy: -1.523 local terms energy: -310.955113 where: bonds (distance) C4'-P energy: -65.337 bonds (distance) P-C4' energy: -62.928 flat angles C4'-P-C4' energy: -71.354 flat angles P-C4'-P energy: -34.323 tors. eta vs tors. theta energy: -77.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -936.015117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.015117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.015117 (E_RNA) where: Base-Base interactions energy: -635.514 where: short stacking energy: -290.616 Base-Backbone interact. energy: -0.275 local terms energy: -300.225309 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -60.710 flat angles C4'-P-C4' energy: -69.431 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: -75.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -959.026824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.026824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.026824 (E_RNA) where: Base-Base interactions energy: -658.428 where: short stacking energy: -262.853 Base-Backbone interact. energy: -2.349 local terms energy: -298.249823 where: bonds (distance) C4'-P energy: -62.728 bonds (distance) P-C4' energy: -65.072 flat angles C4'-P-C4' energy: -64.096 flat angles P-C4'-P energy: -34.934 tors. eta vs tors. theta energy: -71.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -568.130821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.130821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.130821 (E_RNA) where: Base-Base interactions energy: -356.859 where: short stacking energy: -152.333 Base-Backbone interact. energy: 1.721 local terms energy: -212.992348 where: bonds (distance) C4'-P energy: -61.104 bonds (distance) P-C4' energy: -54.090 flat angles C4'-P-C4' energy: -52.693 flat angles P-C4'-P energy: -37.567 tors. eta vs tors. theta energy: -7.539 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: 3 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -536.541556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.541556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.541556 (E_RNA) where: Base-Base interactions energy: -339.819 where: short stacking energy: -159.976 Base-Backbone interact. energy: 1.248 local terms energy: -197.970681 where: bonds (distance) C4'-P energy: -52.588 bonds (distance) P-C4' energy: -59.944 flat angles C4'-P-C4' energy: -50.668 flat angles P-C4'-P energy: -23.148 tors. eta vs tors. theta energy: -11.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1321.023038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.023038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.023038 (E_RNA) where: Base-Base interactions energy: -945.735 where: short stacking energy: -383.794 Base-Backbone interact. energy: -0.442 local terms energy: -374.846500 where: bonds (distance) C4'-P energy: -73.746 bonds (distance) P-C4' energy: -74.915 flat angles C4'-P-C4' energy: -84.130 flat angles P-C4'-P energy: -47.578 tors. eta vs tors. theta energy: -94.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1303.571447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.571447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.571447 (E_RNA) where: Base-Base interactions energy: -919.596 where: short stacking energy: -387.354 Base-Backbone interact. energy: 0.275 local terms energy: -384.250355 where: bonds (distance) C4'-P energy: -69.995 bonds (distance) P-C4' energy: -72.976 flat angles C4'-P-C4' energy: -76.028 flat angles P-C4'-P energy: -49.894 tors. eta vs tors. theta energy: -115.357 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: 493 Temperature: 1.000000 Total energy: -1239.759478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.759478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.759478 (E_RNA) where: Base-Base interactions energy: -879.310 where: short stacking energy: -376.834 Base-Backbone interact. energy: 0.534 local terms energy: -360.983173 where: bonds (distance) C4'-P energy: -64.313 bonds (distance) P-C4' energy: -76.519 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -46.257 tors. eta vs tors. theta energy: -105.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1181.532577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.532577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.532577 (E_RNA) where: Base-Base interactions energy: -817.612 where: short stacking energy: -366.030 Base-Backbone interact. energy: -1.492 local terms energy: -362.428849 where: bonds (distance) C4'-P energy: -73.940 bonds (distance) P-C4' energy: -68.634 flat angles C4'-P-C4' energy: -65.231 flat angles P-C4'-P energy: -47.984 tors. eta vs tors. theta energy: -106.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1072.078324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.078324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.078324 (E_RNA) where: Base-Base interactions energy: -724.602 where: short stacking energy: -330.426 Base-Backbone interact. energy: 0.480 local terms energy: -347.956573 where: bonds (distance) C4'-P energy: -71.470 bonds (distance) P-C4' energy: -62.674 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -52.647 tors. eta vs tors. theta energy: -81.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1048.329261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.329261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.329261 (E_RNA) where: Base-Base interactions energy: -733.809 where: short stacking energy: -319.086 Base-Backbone interact. energy: 1.609 local terms energy: -316.129117 where: bonds (distance) C4'-P energy: -62.413 bonds (distance) P-C4' energy: -67.759 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: -83.758 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: 6 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -949.106517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.106517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.106517 (E_RNA) where: Base-Base interactions energy: -643.816 where: short stacking energy: -276.607 Base-Backbone interact. energy: -2.063 local terms energy: -303.227343 where: bonds (distance) C4'-P energy: -54.046 bonds (distance) P-C4' energy: -70.543 flat angles C4'-P-C4' energy: -61.110 flat angles P-C4'-P energy: -48.485 tors. eta vs tors. theta energy: -69.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -952.544194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.544194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.544194 (E_RNA) where: Base-Base interactions energy: -647.266 where: short stacking energy: -271.575 Base-Backbone interact. energy: 0.380 local terms energy: -305.657571 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -69.020 flat angles C4'-P-C4' energy: -68.427 flat angles P-C4'-P energy: -51.838 tors. eta vs tors. theta energy: -63.049 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: 2 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -593.150822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.150822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.150822 (E_RNA) where: Base-Base interactions energy: -369.511 where: short stacking energy: -173.066 Base-Backbone interact. energy: -2.538 local terms energy: -221.101937 where: bonds (distance) C4'-P energy: -65.859 bonds (distance) P-C4' energy: -60.054 flat angles C4'-P-C4' energy: -46.229 flat angles P-C4'-P energy: -34.840 tors. eta vs tors. theta energy: -14.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -536.201380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.201380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.201380 (E_RNA) where: Base-Base interactions energy: -296.454 where: short stacking energy: -170.962 Base-Backbone interact. energy: 2.811 local terms energy: -242.558284 where: bonds (distance) C4'-P energy: -70.590 bonds (distance) P-C4' energy: -50.475 flat angles C4'-P-C4' energy: -63.575 flat angles P-C4'-P energy: -28.887 tors. eta vs tors. theta energy: -29.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1317.792121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.792121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.792121 (E_RNA) where: Base-Base interactions energy: -941.737 where: short stacking energy: -372.221 Base-Backbone interact. energy: -1.473 local terms energy: -374.582426 where: bonds (distance) C4'-P energy: -70.493 bonds (distance) P-C4' energy: -74.501 flat angles C4'-P-C4' energy: -81.953 flat angles P-C4'-P energy: -56.014 tors. eta vs tors. theta energy: -91.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1289.164260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.164260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.164260 (E_RNA) where: Base-Base interactions energy: -918.381 where: short stacking energy: -368.583 Base-Backbone interact. energy: -1.430 local terms energy: -369.353442 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -76.198 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -108.568 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: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1236.238138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.238138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.238138 (E_RNA) where: Base-Base interactions energy: -878.640 where: short stacking energy: -369.650 Base-Backbone interact. energy: -2.497 local terms energy: -355.101424 where: bonds (distance) C4'-P energy: -71.399 bonds (distance) P-C4' energy: -64.277 flat angles C4'-P-C4' energy: -66.076 flat angles P-C4'-P energy: -46.357 tors. eta vs tors. theta energy: -106.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1181.027717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.027717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.027717 (E_RNA) where: Base-Base interactions energy: -826.700 where: short stacking energy: -346.778 Base-Backbone interact. energy: -2.719 local terms energy: -351.609010 where: bonds (distance) C4'-P energy: -61.830 bonds (distance) P-C4' energy: -63.919 flat angles C4'-P-C4' energy: -77.791 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -90.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1096.971529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.971529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.971529 (E_RNA) where: Base-Base interactions energy: -747.521 where: short stacking energy: -332.391 Base-Backbone interact. energy: -0.945 local terms energy: -348.504941 where: bonds (distance) C4'-P energy: -66.211 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -72.914 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -92.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1056.947919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.947919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.947919 (E_RNA) where: Base-Base interactions energy: -727.204 where: short stacking energy: -308.297 Base-Backbone interact. energy: -0.633 local terms energy: -329.110750 where: bonds (distance) C4'-P energy: -63.529 bonds (distance) P-C4' energy: -66.798 flat angles C4'-P-C4' energy: -64.982 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -81.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -959.131125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.131125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.131125 (E_RNA) where: Base-Base interactions energy: -663.506 where: short stacking energy: -269.862 Base-Backbone interact. energy: -2.360 local terms energy: -293.264995 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -76.346 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: -60.613 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: 494 Temperature: 1.250000 Total energy: -932.253398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.253398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.253398 (E_RNA) where: Base-Base interactions energy: -636.566 where: short stacking energy: -275.783 Base-Backbone interact. energy: -0.853 local terms energy: -294.834703 where: bonds (distance) C4'-P energy: -55.917 bonds (distance) P-C4' energy: -61.798 flat angles C4'-P-C4' energy: -58.293 flat angles P-C4'-P energy: -45.084 tors. eta vs tors. theta energy: -73.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -554.569594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.569594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.569594 (E_RNA) where: Base-Base interactions energy: -330.803 where: short stacking energy: -163.823 Base-Backbone interact. energy: -0.550 local terms energy: -223.216628 where: bonds (distance) C4'-P energy: -48.269 bonds (distance) P-C4' energy: -60.610 flat angles C4'-P-C4' energy: -64.153 flat angles P-C4'-P energy: -38.479 tors. eta vs tors. theta energy: -11.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -547.437985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.437985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.437985 (E_RNA) where: Base-Base interactions energy: -335.581 where: short stacking energy: -166.565 Base-Backbone interact. energy: 1.438 local terms energy: -213.294606 where: bonds (distance) C4'-P energy: -52.106 bonds (distance) P-C4' energy: -65.167 flat angles C4'-P-C4' energy: -52.827 flat angles P-C4'-P energy: -23.625 tors. eta vs tors. theta energy: -19.569 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: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1298.921408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.921408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.921408 (E_RNA) where: Base-Base interactions energy: -934.898 where: short stacking energy: -378.103 Base-Backbone interact. energy: -2.883 local terms energy: -361.139909 where: bonds (distance) C4'-P energy: -68.389 bonds (distance) P-C4' energy: -65.379 flat angles C4'-P-C4' energy: -84.166 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -95.978 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: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1309.086913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.086913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.086913 (E_RNA) where: Base-Base interactions energy: -925.259 where: short stacking energy: -384.087 Base-Backbone interact. energy: -1.342 local terms energy: -382.486481 where: bonds (distance) C4'-P energy: -62.086 bonds (distance) P-C4' energy: -75.375 flat angles C4'-P-C4' energy: -78.435 flat angles P-C4'-P energy: -62.426 tors. eta vs tors. theta energy: -104.164 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: 495 Temperature: 1.000000 Total energy: -1239.702777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.702777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.702777 (E_RNA) where: Base-Base interactions energy: -884.693 where: short stacking energy: -374.598 Base-Backbone interact. energy: -0.927 local terms energy: -354.083273 where: bonds (distance) C4'-P energy: -63.929 bonds (distance) P-C4' energy: -58.660 flat angles C4'-P-C4' energy: -73.077 flat angles P-C4'-P energy: -53.069 tors. eta vs tors. theta energy: -105.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1179.705717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.705717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.705717 (E_RNA) where: Base-Base interactions energy: -825.489 where: short stacking energy: -350.535 Base-Backbone interact. energy: -1.893 local terms energy: -352.323399 where: bonds (distance) C4'-P energy: -63.039 bonds (distance) P-C4' energy: -61.241 flat angles C4'-P-C4' energy: -76.440 flat angles P-C4'-P energy: -51.129 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: 5, replica: 1 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1102.409976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.409976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.409976 (E_RNA) where: Base-Base interactions energy: -760.171 where: short stacking energy: -332.864 Base-Backbone interact. energy: -0.698 local terms energy: -341.541016 where: bonds (distance) C4'-P energy: -59.672 bonds (distance) P-C4' energy: -66.603 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -93.602 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: 8 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1055.952474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.952474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.952474 (E_RNA) where: Base-Base interactions energy: -740.305 where: short stacking energy: -325.167 Base-Backbone interact. energy: -1.250 local terms energy: -314.397086 where: bonds (distance) C4'-P energy: -58.245 bonds (distance) P-C4' energy: -53.540 flat angles C4'-P-C4' energy: -70.341 flat angles P-C4'-P energy: -42.539 tors. eta vs tors. theta energy: -89.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -971.831507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.831507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.831507 (E_RNA) where: Base-Base interactions energy: -658.852 where: short stacking energy: -281.708 Base-Backbone interact. energy: -0.830 local terms energy: -312.149640 where: bonds (distance) C4'-P energy: -56.380 bonds (distance) P-C4' energy: -67.012 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -47.187 tors. eta vs tors. theta energy: -69.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -956.383022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.383022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.383022 (E_RNA) where: Base-Base interactions energy: -638.470 where: short stacking energy: -283.315 Base-Backbone interact. energy: -0.344 local terms energy: -317.568458 where: bonds (distance) C4'-P energy: -62.262 bonds (distance) P-C4' energy: -65.977 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -50.865 tors. eta vs tors. theta energy: -73.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -636.308546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.308546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.308546 (E_RNA) where: Base-Base interactions energy: -399.285 where: short stacking energy: -220.386 Base-Backbone interact. energy: 0.160 local terms energy: -237.183682 where: bonds (distance) C4'-P energy: -45.821 bonds (distance) P-C4' energy: -52.649 flat angles C4'-P-C4' energy: -63.813 flat angles P-C4'-P energy: -27.716 tors. eta vs tors. theta energy: -47.185 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: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -499.708995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.708995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.708995 (E_RNA) where: Base-Base interactions energy: -286.936 where: short stacking energy: -149.033 Base-Backbone interact. energy: 4.043 local terms energy: -216.816474 where: bonds (distance) C4'-P energy: -65.964 bonds (distance) P-C4' energy: -44.518 flat angles C4'-P-C4' energy: -58.396 flat angles P-C4'-P energy: -37.825 tors. eta vs tors. theta energy: -10.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1309.691468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.691468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.691468 (E_RNA) where: Base-Base interactions energy: -935.603 where: short stacking energy: -370.970 Base-Backbone interact. energy: -0.457 local terms energy: -373.631943 where: bonds (distance) C4'-P energy: -72.704 bonds (distance) P-C4' energy: -69.080 flat angles C4'-P-C4' energy: -75.769 flat angles P-C4'-P energy: -56.628 tors. eta vs tors. theta energy: -99.450 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: 496 Temperature: 0.950000 Total energy: -1311.130188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.130188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.130188 (E_RNA) where: Base-Base interactions energy: -940.933 where: short stacking energy: -395.451 Base-Backbone interact. energy: -1.225 local terms energy: -368.972279 where: bonds (distance) C4'-P energy: -67.055 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -77.716 flat angles P-C4'-P energy: -52.140 tors. eta vs tors. theta energy: -109.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1240.990657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.990657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.990657 (E_RNA) where: Base-Base interactions energy: -878.908 where: short stacking energy: -372.692 Base-Backbone interact. energy: -1.319 local terms energy: -360.763267 where: bonds (distance) C4'-P energy: -62.814 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -78.442 flat angles P-C4'-P energy: -53.256 tors. eta vs tors. theta energy: -99.080 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: 496 Temperature: 1.050000 Total energy: -1195.164232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.164232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.164232 (E_RNA) where: Base-Base interactions energy: -846.105 where: short stacking energy: -359.945 Base-Backbone interact. energy: -1.285 local terms energy: -347.774403 where: bonds (distance) C4'-P energy: -65.017 bonds (distance) P-C4' energy: -66.811 flat angles C4'-P-C4' energy: -72.565 flat angles P-C4'-P energy: -49.214 tors. eta vs tors. theta energy: -94.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1126.282537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.282537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.282537 (E_RNA) where: Base-Base interactions energy: -776.986 where: short stacking energy: -339.713 Base-Backbone interact. energy: -1.182 local terms energy: -348.114798 where: bonds (distance) C4'-P energy: -59.417 bonds (distance) P-C4' energy: -68.663 flat angles C4'-P-C4' energy: -78.544 flat angles P-C4'-P energy: -46.623 tors. eta vs tors. theta energy: -94.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1045.651432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.651432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.651432 (E_RNA) where: Base-Base interactions energy: -720.587 where: short stacking energy: -293.008 Base-Backbone interact. energy: -1.312 local terms energy: -323.752885 where: bonds (distance) C4'-P energy: -58.783 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -76.598 flat angles P-C4'-P energy: -47.596 tors. eta vs tors. theta energy: -76.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -992.990775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.990775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.990775 (E_RNA) where: Base-Base interactions energy: -709.434 where: short stacking energy: -280.980 Base-Backbone interact. energy: -1.321 local terms energy: -282.235969 where: bonds (distance) C4'-P energy: -64.869 bonds (distance) P-C4' energy: -52.748 flat angles C4'-P-C4' energy: -68.179 flat angles P-C4'-P energy: -34.278 tors. eta vs tors. theta energy: -62.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -928.026872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.026872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.026872 (E_RNA) where: Base-Base interactions energy: -627.802 where: short stacking energy: -275.308 Base-Backbone interact. energy: -1.906 local terms energy: -298.318603 where: bonds (distance) C4'-P energy: -55.108 bonds (distance) P-C4' energy: -67.724 flat angles C4'-P-C4' energy: -54.569 flat angles P-C4'-P energy: -43.796 tors. eta vs tors. theta energy: -77.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -569.161516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.161516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.161516 (E_RNA) where: Base-Base interactions energy: -327.968 where: short stacking energy: -162.112 Base-Backbone interact. energy: -1.285 local terms energy: -239.909120 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -64.301 flat angles P-C4'-P energy: -37.294 tors. eta vs tors. theta energy: -17.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -458.300269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.300269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.300269 (E_RNA) where: Base-Base interactions energy: -258.508 where: short stacking energy: -136.265 Base-Backbone interact. energy: -1.366 local terms energy: -198.425495 where: bonds (distance) C4'-P energy: -50.303 bonds (distance) P-C4' energy: -59.145 flat angles C4'-P-C4' energy: -49.815 flat angles P-C4'-P energy: -33.529 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1311.620270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.620270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.620270 (E_RNA) where: Base-Base interactions energy: -940.738 where: short stacking energy: -367.055 Base-Backbone interact. energy: -1.510 local terms energy: -369.372679 where: bonds (distance) C4'-P energy: -65.779 bonds (distance) P-C4' energy: -71.659 flat angles C4'-P-C4' energy: -78.739 flat angles P-C4'-P energy: -59.039 tors. eta vs tors. theta energy: -94.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1257.223111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.223111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.223111 (E_RNA) where: Base-Base interactions energy: -889.235 where: short stacking energy: -378.229 Base-Backbone interact. energy: -0.367 local terms energy: -367.620818 where: bonds (distance) C4'-P energy: -63.506 bonds (distance) P-C4' energy: -68.268 flat angles C4'-P-C4' energy: -81.184 flat angles P-C4'-P energy: -56.815 tors. eta vs tors. theta energy: -97.848 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: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1275.149648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.149648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.149648 (E_RNA) where: Base-Base interactions energy: -895.617 where: short stacking energy: -390.594 Base-Backbone interact. energy: 0.783 local terms energy: -380.315568 where: bonds (distance) C4'-P energy: -76.725 bonds (distance) P-C4' energy: -71.065 flat angles C4'-P-C4' energy: -70.752 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -115.619 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: 10 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1193.733762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.733762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.733762 (E_RNA) where: Base-Base interactions energy: -838.970 where: short stacking energy: -363.169 Base-Backbone interact. energy: -0.029 local terms energy: -354.734894 where: bonds (distance) C4'-P energy: -65.994 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -76.577 flat angles P-C4'-P energy: -49.474 tors. eta vs tors. theta energy: -94.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1107.034045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.034045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.034045 (E_RNA) where: Base-Base interactions energy: -777.449 where: short stacking energy: -326.751 Base-Backbone interact. energy: -1.656 local terms energy: -327.929411 where: bonds (distance) C4'-P energy: -59.778 bonds (distance) P-C4' energy: -55.101 flat angles C4'-P-C4' energy: -78.373 flat angles P-C4'-P energy: -51.866 tors. eta vs tors. theta energy: -82.811 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: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1081.245177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.245177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.245177 (E_RNA) where: Base-Base interactions energy: -760.303 where: short stacking energy: -320.548 Base-Backbone interact. energy: -3.678 local terms energy: -317.264589 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -56.905 flat angles C4'-P-C4' energy: -69.471 flat angles P-C4'-P energy: -49.891 tors. eta vs tors. theta energy: -82.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1025.905599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.905599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.905599 (E_RNA) where: Base-Base interactions energy: -739.790 where: short stacking energy: -313.801 Base-Backbone interact. energy: -1.828 local terms energy: -284.287510 where: bonds (distance) C4'-P energy: -58.762 bonds (distance) P-C4' energy: -48.905 flat angles C4'-P-C4' energy: -65.660 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -73.462 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: 6 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -971.896624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.896624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.896624 (E_RNA) where: Base-Base interactions energy: -676.091 where: short stacking energy: -280.621 Base-Backbone interact. energy: 0.435 local terms energy: -296.240756 where: bonds (distance) C4'-P energy: -54.527 bonds (distance) P-C4' energy: -58.129 flat angles C4'-P-C4' energy: -74.291 flat angles P-C4'-P energy: -28.213 tors. eta vs tors. theta energy: -81.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -532.208883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.208883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.208883 (E_RNA) where: Base-Base interactions energy: -299.469 where: short stacking energy: -163.412 Base-Backbone interact. energy: 2.011 local terms energy: -234.750083 where: bonds (distance) C4'-P energy: -60.341 bonds (distance) P-C4' energy: -55.056 flat angles C4'-P-C4' energy: -50.606 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -21.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -422.510226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.510226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.510226 (E_RNA) where: Base-Base interactions energy: -210.687 where: short stacking energy: -125.569 Base-Backbone interact. energy: -0.951 local terms energy: -210.871441 where: bonds (distance) C4'-P energy: -62.590 bonds (distance) P-C4' energy: -54.333 flat angles C4'-P-C4' energy: -55.618 flat angles P-C4'-P energy: -26.186 tors. eta vs tors. theta energy: -12.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1307.921936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.921936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.921936 (E_RNA) where: Base-Base interactions energy: -953.223 where: short stacking energy: -374.225 Base-Backbone interact. energy: -2.030 local terms energy: -352.668589 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -63.373 flat angles C4'-P-C4' energy: -81.517 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -91.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1264.777313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.777313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.777313 (E_RNA) where: Base-Base interactions energy: -885.702 where: short stacking energy: -380.484 Base-Backbone interact. energy: -0.671 local terms energy: -378.404884 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -66.393 flat angles C4'-P-C4' energy: -80.483 flat angles P-C4'-P energy: -50.822 tors. eta vs tors. theta energy: -110.845 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: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1274.737170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.737170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.737170 (E_RNA) where: Base-Base interactions energy: -909.330 where: short stacking energy: -384.974 Base-Backbone interact. energy: -1.325 local terms energy: -364.081936 where: bonds (distance) C4'-P energy: -63.087 bonds (distance) P-C4' energy: -61.252 flat angles C4'-P-C4' energy: -73.049 flat angles P-C4'-P energy: -55.032 tors. eta vs tors. theta energy: -111.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1204.994261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.994261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.994261 (E_RNA) where: Base-Base interactions energy: -840.594 where: short stacking energy: -357.115 Base-Backbone interact. energy: -0.393 local terms energy: -364.006870 where: bonds (distance) C4'-P energy: -58.157 bonds (distance) P-C4' energy: -73.561 flat angles C4'-P-C4' energy: -79.888 flat angles P-C4'-P energy: -54.807 tors. eta vs tors. theta energy: -97.594 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: 1 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1115.448105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.448105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.448105 (E_RNA) where: Base-Base interactions energy: -782.426 where: short stacking energy: -326.524 Base-Backbone interact. energy: -1.305 local terms energy: -331.717872 where: bonds (distance) C4'-P energy: -67.034 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -70.455 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -84.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1050.919420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.919420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.919420 (E_RNA) where: Base-Base interactions energy: -745.839 where: short stacking energy: -314.805 Base-Backbone interact. energy: -0.374 local terms energy: -304.705999 where: bonds (distance) C4'-P energy: -55.595 bonds (distance) P-C4' energy: -61.628 flat angles C4'-P-C4' energy: -63.608 flat angles P-C4'-P energy: -44.289 tors. eta vs tors. theta energy: -79.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -992.100493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.100493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.100493 (E_RNA) where: Base-Base interactions energy: -695.711 where: short stacking energy: -284.380 Base-Backbone interact. energy: -0.428 local terms energy: -295.961558 where: bonds (distance) C4'-P energy: -47.425 bonds (distance) P-C4' energy: -54.781 flat angles C4'-P-C4' energy: -63.588 flat angles P-C4'-P energy: -49.184 tors. eta vs tors. theta energy: -80.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1018.717208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.717208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.717208 (E_RNA) where: Base-Base interactions energy: -729.703 where: short stacking energy: -305.730 Base-Backbone interact. energy: -0.518 local terms energy: -288.495366 where: bonds (distance) C4'-P energy: -55.436 bonds (distance) P-C4' energy: -51.092 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -34.126 tors. eta vs tors. theta energy: -81.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -545.067673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.067673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.067673 (E_RNA) where: Base-Base interactions energy: -333.458 where: short stacking energy: -187.345 Base-Backbone interact. energy: 2.231 local terms energy: -213.841553 where: bonds (distance) C4'-P energy: -57.670 bonds (distance) P-C4' energy: -59.608 flat angles C4'-P-C4' energy: -50.815 flat angles P-C4'-P energy: -25.678 tors. eta vs tors. theta energy: -20.071 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: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -429.258215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.258215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.258215 (E_RNA) where: Base-Base interactions energy: -215.097 where: short stacking energy: -117.267 Base-Backbone interact. energy: -1.553 local terms energy: -212.608061 where: bonds (distance) C4'-P energy: -57.499 bonds (distance) P-C4' energy: -56.336 flat angles C4'-P-C4' energy: -60.243 flat angles P-C4'-P energy: -31.691 tors. eta vs tors. theta energy: -6.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1314.756799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.756799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.756799 (E_RNA) where: Base-Base interactions energy: -953.466 where: short stacking energy: -388.738 Base-Backbone interact. energy: -0.918 local terms energy: -360.372031 where: bonds (distance) C4'-P energy: -68.535 bonds (distance) P-C4' energy: -62.083 flat angles C4'-P-C4' energy: -74.453 flat angles P-C4'-P energy: -54.091 tors. eta vs tors. theta energy: -101.210 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: 499 Temperature: 0.950000 Total energy: -1288.295258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.295258 (E_RNA) where: Base-Base interactions energy: -916.658 where: short stacking energy: -384.539 Base-Backbone interact. energy: 0.155 local terms energy: -371.792131 where: bonds (distance) C4'-P energy: -68.801 bonds (distance) P-C4' energy: -62.359 flat angles C4'-P-C4' energy: -75.232 flat angles P-C4'-P energy: -60.952 tors. eta vs tors. theta energy: -104.449 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: 499 Temperature: 1.000000 Total energy: -1246.669130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.669130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.669130 (E_RNA) where: Base-Base interactions energy: -870.398 where: short stacking energy: -375.826 Base-Backbone interact. energy: -0.393 local terms energy: -375.878340 where: bonds (distance) C4'-P energy: -63.306 bonds (distance) P-C4' energy: -74.099 flat angles C4'-P-C4' energy: -82.011 flat angles P-C4'-P energy: -47.245 tors. eta vs tors. theta energy: -109.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1199.498926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.498926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.498926 (E_RNA) where: Base-Base interactions energy: -832.894 where: short stacking energy: -356.543 Base-Backbone interact. energy: -0.922 local terms energy: -365.682599 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -83.298 flat angles P-C4'-P energy: -44.674 tors. eta vs tors. theta energy: -103.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1114.900642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.900642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.900642 (E_RNA) where: Base-Base interactions energy: -764.899 where: short stacking energy: -325.798 Base-Backbone interact. energy: 1.170 local terms energy: -351.171443 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -79.085 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -89.466 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: 5 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1051.644575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.644575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.644575 (E_RNA) where: Base-Base interactions energy: -721.098 where: short stacking energy: -302.350 Base-Backbone interact. energy: -2.874 local terms energy: -327.672154 where: bonds (distance) C4'-P energy: -64.488 bonds (distance) P-C4' energy: -65.785 flat angles C4'-P-C4' energy: -67.796 flat angles P-C4'-P energy: -52.425 tors. eta vs tors. theta energy: -77.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -928.036913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.036913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.036913 (E_RNA) where: Base-Base interactions energy: -631.326 where: short stacking energy: -276.382 Base-Backbone interact. energy: -0.562 local terms energy: -296.148311 where: bonds (distance) C4'-P energy: -54.748 bonds (distance) P-C4' energy: -65.207 flat angles C4'-P-C4' energy: -64.664 flat angles P-C4'-P energy: -43.535 tors. eta vs tors. theta energy: -67.994 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: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1024.446298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.446298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.446298 (E_RNA) where: Base-Base interactions energy: -721.011 where: short stacking energy: -312.659 Base-Backbone interact. energy: -1.105 local terms energy: -302.330271 where: bonds (distance) C4'-P energy: -58.494 bonds (distance) P-C4' energy: -51.994 flat angles C4'-P-C4' energy: -69.463 flat angles P-C4'-P energy: -36.836 tors. eta vs tors. theta energy: -85.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -530.385437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.385437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.385437 (E_RNA) where: Base-Base interactions energy: -289.622 where: short stacking energy: -161.033 Base-Backbone interact. energy: -1.077 local terms energy: -239.686402 where: bonds (distance) C4'-P energy: -59.055 bonds (distance) P-C4' energy: -54.021 flat angles C4'-P-C4' energy: -64.328 flat angles P-C4'-P energy: -43.096 tors. eta vs tors. theta energy: -19.187 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: 499 Temperature: 1.350000 Total energy: -406.070764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.070764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.070764 (E_RNA) where: Base-Base interactions energy: -201.880 where: short stacking energy: -118.496 Base-Backbone interact. energy: -1.759 local terms energy: -202.432031 where: bonds (distance) C4'-P energy: -58.711 bonds (distance) P-C4' energy: -61.752 flat angles C4'-P-C4' energy: -50.844 flat angles P-C4'-P energy: -24.630 tors. eta vs tors. theta energy: -6.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1338.380557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.380557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.380557 (E_RNA) where: Base-Base interactions energy: -952.542 where: short stacking energy: -391.938 Base-Backbone interact. energy: -0.811 local terms energy: -385.028125 where: bonds (distance) C4'-P energy: -72.315 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -74.955 flat angles P-C4'-P energy: -61.297 tors. eta vs tors. theta energy: -104.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1283.878675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.878675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.878675 (E_RNA) where: Base-Base interactions energy: -923.239 where: short stacking energy: -360.154 Base-Backbone interact. energy: -2.029 local terms energy: -358.610651 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -63.945 flat angles C4'-P-C4' energy: -79.646 flat angles P-C4'-P energy: -54.720 tors. eta vs tors. theta energy: -93.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1257.385710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.385710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.385710 (E_RNA) where: Base-Base interactions energy: -882.139 where: short stacking energy: -380.565 Base-Backbone interact. energy: -0.229 local terms energy: -375.017330 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -67.311 flat angles C4'-P-C4' energy: -82.032 flat angles P-C4'-P energy: -54.651 tors. eta vs tors. theta energy: -105.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1226.230340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.230340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.230340 (E_RNA) where: Base-Base interactions energy: -867.202 where: short stacking energy: -371.221 Base-Backbone interact. energy: 0.465 local terms energy: -359.493262 where: bonds (distance) C4'-P energy: -59.962 bonds (distance) P-C4' energy: -65.580 flat angles C4'-P-C4' energy: -75.259 flat angles P-C4'-P energy: -59.301 tors. eta vs tors. theta energy: -99.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1123.256154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.256154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.256154 (E_RNA) where: Base-Base interactions energy: -777.645 where: short stacking energy: -328.959 Base-Backbone interact. energy: -0.217 local terms energy: -345.394317 where: bonds (distance) C4'-P energy: -66.170 bonds (distance) P-C4' energy: -66.801 flat angles C4'-P-C4' energy: -75.031 flat angles P-C4'-P energy: -53.365 tors. eta vs tors. theta energy: -84.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1044.196320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.196320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.196320 (E_RNA) where: Base-Base interactions energy: -748.429 where: short stacking energy: -311.746 Base-Backbone interact. energy: -0.960 local terms energy: -294.806797 where: bonds (distance) C4'-P energy: -51.499 bonds (distance) P-C4' energy: -58.149 flat angles C4'-P-C4' energy: -71.249 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -73.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1024.261258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.261258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.261258 (E_RNA) where: Base-Base interactions energy: -711.709 where: short stacking energy: -299.145 Base-Backbone interact. energy: -0.292 local terms energy: -312.260152 where: bonds (distance) C4'-P energy: -55.724 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -62.964 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: -80.785 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: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -924.235669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.235669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.235669 (E_RNA) where: Base-Base interactions energy: -622.925 where: short stacking energy: -270.565 Base-Backbone interact. energy: -0.831 local terms energy: -300.479753 where: bonds (distance) C4'-P energy: -67.272 bonds (distance) P-C4' energy: -64.593 flat angles C4'-P-C4' energy: -54.663 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -63.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -519.726865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.726865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.726865 (E_RNA) where: Base-Base interactions energy: -276.714 where: short stacking energy: -162.684 Base-Backbone interact. energy: 1.189 local terms energy: -244.201984 where: bonds (distance) C4'-P energy: -56.806 bonds (distance) P-C4' energy: -54.461 flat angles C4'-P-C4' energy: -61.517 flat angles P-C4'-P energy: -38.063 tors. eta vs tors. theta energy: -33.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -415.222141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.222141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.222141 (E_RNA) where: Base-Base interactions energy: -215.393 where: short stacking energy: -114.087 Base-Backbone interact. energy: 4.706 local terms energy: -204.534469 where: bonds (distance) C4'-P energy: -67.889 bonds (distance) P-C4' energy: -42.194 flat angles C4'-P-C4' energy: -58.465 flat angles P-C4'-P energy: -37.111 tors. eta vs tors. theta energy: 1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1328.627469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.627469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.627469 (E_RNA) where: Base-Base interactions energy: -942.246 where: short stacking energy: -401.298 Base-Backbone interact. energy: -1.956 local terms energy: -384.425858 where: bonds (distance) C4'-P energy: -68.545 bonds (distance) P-C4' energy: -67.666 flat angles C4'-P-C4' energy: -75.951 flat angles P-C4'-P energy: -59.366 tors. eta vs tors. theta energy: -112.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1275.391749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.391749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.391749 (E_RNA) where: Base-Base interactions energy: -928.791 where: short stacking energy: -344.138 Base-Backbone interact. energy: -0.563 local terms energy: -346.038522 where: bonds (distance) C4'-P energy: -60.010 bonds (distance) P-C4' energy: -69.203 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -89.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1270.098115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.098115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.098115 (E_RNA) where: Base-Base interactions energy: -898.416 where: short stacking energy: -374.835 Base-Backbone interact. energy: -0.843 local terms energy: -370.839473 where: bonds (distance) C4'-P energy: -58.824 bonds (distance) P-C4' energy: -76.139 flat angles C4'-P-C4' energy: -76.760 flat angles P-C4'-P energy: -58.233 tors. eta vs tors. theta energy: -100.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1184.002393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.002393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.002393 (E_RNA) where: Base-Base interactions energy: -828.354 where: short stacking energy: -357.685 Base-Backbone interact. energy: -1.177 local terms energy: -354.470778 where: bonds (distance) C4'-P energy: -59.366 bonds (distance) P-C4' energy: -68.405 flat angles C4'-P-C4' energy: -76.814 flat angles P-C4'-P energy: -47.242 tors. eta vs tors. theta energy: -102.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1117.593777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.593777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.593777 (E_RNA) where: Base-Base interactions energy: -782.414 where: short stacking energy: -354.640 Base-Backbone interact. energy: -0.058 local terms energy: -335.121781 where: bonds (distance) C4'-P energy: -65.269 bonds (distance) P-C4' energy: -58.428 flat angles C4'-P-C4' energy: -63.893 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -97.844 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: 5 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1012.269285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.269285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.269285 (E_RNA) where: Base-Base interactions energy: -715.764 where: short stacking energy: -287.014 Base-Backbone interact. energy: 0.943 local terms energy: -297.448173 where: bonds (distance) C4'-P energy: -58.784 bonds (distance) P-C4' energy: -68.714 flat angles C4'-P-C4' energy: -65.959 flat angles P-C4'-P energy: -37.821 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: 7, replica: 8 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1039.014239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.014239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.014239 (E_RNA) where: Base-Base interactions energy: -720.343 where: short stacking energy: -322.234 Base-Backbone interact. energy: 0.461 local terms energy: -319.132346 where: bonds (distance) C4'-P energy: -50.395 bonds (distance) P-C4' energy: -57.614 flat angles C4'-P-C4' energy: -72.569 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -83.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -874.395581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.395581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.395581 (E_RNA) where: Base-Base interactions energy: -587.195 where: short stacking energy: -246.167 Base-Backbone interact. energy: -1.497 local terms energy: -285.703542 where: bonds (distance) C4'-P energy: -59.700 bonds (distance) P-C4' energy: -61.424 flat angles C4'-P-C4' energy: -64.903 flat angles P-C4'-P energy: -45.707 tors. eta vs tors. theta energy: -53.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -516.204758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.204758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.204758 (E_RNA) where: Base-Base interactions energy: -304.448 where: short stacking energy: -185.387 Base-Backbone interact. energy: -1.112 local terms energy: -210.644529 where: bonds (distance) C4'-P energy: -55.732 bonds (distance) P-C4' energy: -50.048 flat angles C4'-P-C4' energy: -52.642 flat angles P-C4'-P energy: -37.811 tors. eta vs tors. theta energy: -14.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -413.188916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.188916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.188916 (E_RNA) where: Base-Base interactions energy: -186.302 where: short stacking energy: -106.466 Base-Backbone interact. energy: -1.084 local terms energy: -225.802865 where: bonds (distance) C4'-P energy: -73.182 bonds (distance) P-C4' energy: -59.101 flat angles C4'-P-C4' energy: -50.912 flat angles P-C4'-P energy: -37.924 tors. eta vs tors. theta energy: -4.683 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) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 45156712 moves confirmed later: 48369933 all moves confirmed: 93526645 percent of confirmed moves: 11.690831 current total energy: -1266.182598 recalc. total energy: -1266.182598 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 53038432 moves confirmed later: 58650075 all moves confirmed: 111688507 percent of confirmed moves: 13.961063 current total energy: -1209.071411 recalc. total energy: -1209.071411 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 51712164 moves confirmed later: 56529448 all moves confirmed: 108241612 percent of confirmed moves: 13.530202 current total energy: -1160.609641 recalc. total energy: -1160.609641 replica 10 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 82161035 moves confirmed later: 96522012 all moves confirmed: 178683047 percent of confirmed moves: 22.335381 current total energy: -1058.527113 recalc. total energy: -1058.527113 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 89757659 moves confirmed later: 106127854 all moves confirmed: 195885513 percent of confirmed moves: 24.485689 current total energy: -1019.326045 recalc. total energy: -1019.326045 replica 5 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 67548695 moves confirmed later: 77111591 all moves confirmed: 144660286 percent of confirmed moves: 18.082536 current total energy: -895.244189 recalc. total energy: -895.244189 replica 8 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 57271642 moves confirmed later: 63498812 all moves confirmed: 120770454 percent of confirmed moves: 15.096307 current total energy: -936.858482 recalc. total energy: -936.858482 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 63905341 moves confirmed later: 72451677 all moves confirmed: 136357018 percent of confirmed moves: 17.044627 current total energy: -768.586605 recalc. total energy: -768.586605 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 74384800 moves confirmed later: 86423825 all moves confirmed: 160808625 percent of confirmed moves: 20.101078 current total energy: -367.487322 recalc. total energy: -367.487322 replica 2 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 112917020 moves confirmed later: 136465002 all moves confirmed: 249382022 percent of confirmed moves: 31.172753 current total energy: -224.672732 recalc. total energy: -224.672732 out arg RESULTS//1/RNA-17fe622c_01 Time of doing 8000000 iterations: 17176.598 seconds