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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_GAGACG-8994b62c/inputs/seq.fa: 1 curr_seq: _UGCAGAGCUAGAUCUUUGUC_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: UGCAGAGCUAGAUCUUUGUC 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 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: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 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: 1 Temperature: 1.100000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -75.558631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.558631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.558631 (E_RNA) where: Base-Base interactions energy: -1.069 where: short stacking energy: -1.069 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -128.086022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.086022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.086022 (E_RNA) where: Base-Base interactions energy: -64.982 where: short stacking energy: -50.700 Base-Backbone interact. energy: -0.063 local terms energy: -63.041338 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -14.717 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -13.215 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -124.139622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.139622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.139622 (E_RNA) where: Base-Base interactions energy: -62.642 where: short stacking energy: -50.042 Base-Backbone interact. energy: -0.034 local terms energy: -61.463160 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -110.153849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.153849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.153849 (E_RNA) where: Base-Base interactions energy: -46.104 where: short stacking energy: -46.104 Base-Backbone interact. energy: -0.181 local terms energy: -63.868953 where: bonds (distance) C4'-P energy: -14.525 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -12.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -121.014934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.014934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.014934 (E_RNA) where: Base-Base interactions energy: -59.468 where: short stacking energy: -55.202 Base-Backbone interact. energy: -0.027 local terms energy: -61.520180 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -17.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -97.445480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.445480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.445480 (E_RNA) where: Base-Base interactions energy: -44.873 where: short stacking energy: -30.823 Base-Backbone interact. energy: -0.100 local terms energy: -52.471915 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -1.183 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -86.024004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.024004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.024004 (E_RNA) where: Base-Base interactions energy: -37.394 where: short stacking energy: -37.224 Base-Backbone interact. energy: -0.128 local terms energy: -48.501781 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -11.321 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -6.699 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -81.079219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.079219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.079219 (E_RNA) where: Base-Base interactions energy: -29.696 where: short stacking energy: -25.133 Base-Backbone interact. energy: -0.003 local terms energy: -51.380342 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -85.018338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.018338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.018338 (E_RNA) where: Base-Base interactions energy: -40.900 where: short stacking energy: -34.734 Base-Backbone interact. energy: -0.027 local terms energy: -44.091330 where: bonds (distance) C4'-P energy: -9.703 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -5.094 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -75.844296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.844296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.844296 (E_RNA) where: Base-Base interactions energy: -2.518 where: short stacking energy: -2.518 Base-Backbone interact. energy: -0.000 local terms energy: -73.326755 where: bonds (distance) C4'-P energy: -19.208 bonds (distance) P-C4' energy: -18.541 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -16.623 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -75.602910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.602910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.602910 (E_RNA) where: Base-Base interactions energy: -5.790 where: short stacking energy: -5.790 Base-Backbone interact. energy: -0.000 local terms energy: -69.812557 where: bonds (distance) C4'-P energy: -18.984 bonds (distance) P-C4' energy: -16.551 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -16.211 tors. eta vs tors. theta energy: -4.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -151.682997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.682997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.682997 (E_RNA) where: Base-Base interactions energy: -92.500 where: short stacking energy: -45.955 Base-Backbone interact. energy: 0.302 local terms energy: -59.484608 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -13.232 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: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -129.779769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.779769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.779769 (E_RNA) where: Base-Base interactions energy: -69.936 where: short stacking energy: -44.048 Base-Backbone interact. energy: -0.956 local terms energy: -58.887243 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -17.573 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -7.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -127.479201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.479201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.479201 (E_RNA) where: Base-Base interactions energy: -65.548 where: short stacking energy: -36.225 Base-Backbone interact. energy: -0.492 local terms energy: -61.439499 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -132.027841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.027841 (E_RNA) where: Base-Base interactions energy: -81.962 where: short stacking energy: -34.619 Base-Backbone interact. energy: -0.236 local terms energy: -49.829242 where: bonds (distance) C4'-P energy: -11.475 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -95.738181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.738181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.738181 (E_RNA) where: Base-Base interactions energy: -44.020 where: short stacking energy: -26.795 Base-Backbone interact. energy: -0.200 local terms energy: -51.518925 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -12.315 flat angles P-C4'-P energy: -10.185 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -92.107822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.107822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.107822 (E_RNA) where: Base-Base interactions energy: -48.709 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.346 local terms energy: -43.052493 where: bonds (distance) C4'-P energy: -4.077 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -6.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -97.761157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.761157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.761157 (E_RNA) where: Base-Base interactions energy: -49.907 where: short stacking energy: -30.457 Base-Backbone interact. energy: -0.259 local terms energy: -47.594751 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -12.537 flat angles C4'-P-C4' energy: -10.375 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -91.802772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.802772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.802772 (E_RNA) where: Base-Base interactions energy: -40.687 where: short stacking energy: -40.687 Base-Backbone interact. energy: -0.007 local terms energy: -51.109550 where: bonds (distance) C4'-P energy: -8.729 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -8.806 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: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -67.700821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.700821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.700821 (E_RNA) where: Base-Base interactions energy: -28.876 where: short stacking energy: -20.451 Base-Backbone interact. energy: 0.803 local terms energy: -39.628102 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -0.740 tors. eta vs tors. theta energy: -3.368 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -65.948409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.948409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.948409 (E_RNA) where: Base-Base interactions energy: -20.870 where: short stacking energy: -20.870 Base-Backbone interact. energy: -0.014 local terms energy: -45.064680 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -5.113 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: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -178.672309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.672309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.672309 (E_RNA) where: Base-Base interactions energy: -123.503 where: short stacking energy: -50.481 Base-Backbone interact. energy: -0.408 local terms energy: -54.761408 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -2.620 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -13.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -172.181208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.181208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.181208 (E_RNA) where: Base-Base interactions energy: -108.069 where: short stacking energy: -53.159 Base-Backbone interact. energy: -0.323 local terms energy: -63.789364 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -17.061 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -10.005 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: 3, replica: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -158.771545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.771545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.771545 (E_RNA) where: Base-Base interactions energy: -94.285 where: short stacking energy: -41.937 Base-Backbone interact. energy: 0.127 local terms energy: -64.612848 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -15.141 flat angles P-C4'-P energy: -8.316 tors. eta vs tors. theta energy: -9.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -138.785004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.785004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.785004 (E_RNA) where: Base-Base interactions energy: -97.296 where: short stacking energy: -44.310 Base-Backbone interact. energy: -0.173 local terms energy: -41.315765 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -13.359 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -101.290797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.290797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.290797 (E_RNA) where: Base-Base interactions energy: -46.874 where: short stacking energy: -28.425 Base-Backbone interact. energy: -1.180 local terms energy: -53.236438 where: bonds (distance) C4'-P energy: -13.279 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -146.177984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.177984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.177984 (E_RNA) where: Base-Base interactions energy: -82.183 where: short stacking energy: -45.455 Base-Backbone interact. energy: -0.174 local terms energy: -63.821003 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -16.081 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -8.047 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -95.766005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.766005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.766005 (E_RNA) where: Base-Base interactions energy: -34.538 where: short stacking energy: -34.538 Base-Backbone interact. energy: -0.069 local terms energy: -61.159624 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -11.000 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -13.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -83.529538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.529538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.529538 (E_RNA) where: Base-Base interactions energy: -32.647 where: short stacking energy: -17.498 Base-Backbone interact. energy: -0.040 local terms energy: -50.843102 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -0.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -75.826784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.826784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.826784 (E_RNA) where: Base-Base interactions energy: -25.491 where: short stacking energy: -25.891 Base-Backbone interact. energy: -0.210 local terms energy: -50.125330 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -10.429 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -67.940050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.940050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.940050 (E_RNA) where: Base-Base interactions energy: -19.385 where: short stacking energy: -19.385 Base-Backbone interact. energy: -0.453 local terms energy: -48.101718 where: bonds (distance) C4'-P energy: -15.200 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: 0.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -195.874086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.874086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.874086 (E_RNA) where: Base-Base interactions energy: -121.668 where: short stacking energy: -54.499 Base-Backbone interact. energy: -0.323 local terms energy: -73.882573 where: bonds (distance) C4'-P energy: -16.319 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -12.608 tors. eta vs tors. theta energy: -15.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -164.969715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.969715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.969715 (E_RNA) where: Base-Base interactions energy: -100.990 where: short stacking energy: -44.743 Base-Backbone interact. energy: -0.168 local terms energy: -63.811981 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -12.598 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -184.094857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.094857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.094857 (E_RNA) where: Base-Base interactions energy: -117.387 where: short stacking energy: -56.006 Base-Backbone interact. energy: -0.199 local terms energy: -66.508810 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -14.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -186.013983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.013983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.013983 (E_RNA) where: Base-Base interactions energy: -111.138 where: short stacking energy: -60.064 Base-Backbone interact. energy: -0.010 local terms energy: -74.865694 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -18.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -103.899420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.899420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.899420 (E_RNA) where: Base-Base interactions energy: -45.344 where: short stacking energy: -41.671 Base-Backbone interact. energy: -0.006 local terms energy: -58.549140 where: bonds (distance) C4'-P energy: -8.650 bonds (distance) P-C4' energy: -12.821 flat angles C4'-P-C4' energy: -18.185 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -8.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -94.966512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.966512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.966512 (E_RNA) where: Base-Base interactions energy: -41.964 where: short stacking energy: -32.125 Base-Backbone interact. energy: -0.156 local terms energy: -52.846484 where: bonds (distance) C4'-P energy: -12.176 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -6.790 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -132.476187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.476187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.476187 (E_RNA) where: Base-Base interactions energy: -73.782 where: short stacking energy: -33.795 Base-Backbone interact. energy: -0.392 local terms energy: -58.301590 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -11.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -85.520218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.520218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.520218 (E_RNA) where: Base-Base interactions energy: -32.672 where: short stacking energy: -31.094 Base-Backbone interact. energy: 0.672 local terms energy: -53.520906 where: bonds (distance) C4'-P energy: -11.202 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -12.698 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -74.042453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.042453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.042453 (E_RNA) where: Base-Base interactions energy: -22.377 where: short stacking energy: -19.932 Base-Backbone interact. energy: 0.304 local terms energy: -51.969423 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -74.176780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.176780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.176780 (E_RNA) where: Base-Base interactions energy: -26.951 where: short stacking energy: -26.951 Base-Backbone interact. energy: -0.988 local terms energy: -46.238230 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -198.228050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.228050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.228050 (E_RNA) where: Base-Base interactions energy: -123.846 where: short stacking energy: -62.572 Base-Backbone interact. energy: -0.436 local terms energy: -73.946514 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -15.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -166.869452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.869452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.869452 (E_RNA) where: Base-Base interactions energy: -97.004 where: short stacking energy: -45.561 Base-Backbone interact. energy: -0.325 local terms energy: -69.540331 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -17.288 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -11.764 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: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -200.848357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.848357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.848357 (E_RNA) where: Base-Base interactions energy: -128.625 where: short stacking energy: -51.555 Base-Backbone interact. energy: -0.014 local terms energy: -72.209945 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -12.127 tors. eta vs tors. theta energy: -16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -188.111885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.111885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.111885 (E_RNA) where: Base-Base interactions energy: -122.337 where: short stacking energy: -59.137 Base-Backbone interact. energy: -0.008 local terms energy: -65.767432 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -17.238 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -14.702 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: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -143.704200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.704200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.704200 (E_RNA) where: Base-Base interactions energy: -80.229 where: short stacking energy: -49.275 Base-Backbone interact. energy: -0.006 local terms energy: -63.468942 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -13.253 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: 4 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -87.429751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.429751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.429751 (E_RNA) where: Base-Base interactions energy: -34.948 where: short stacking energy: -30.959 Base-Backbone interact. energy: -0.060 local terms energy: -52.421474 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -3.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -139.299669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.299669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.299669 (E_RNA) where: Base-Base interactions energy: -76.225 where: short stacking energy: -43.347 Base-Backbone interact. energy: -0.005 local terms energy: -63.069616 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -9.236 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -12.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -80.611069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.611069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.611069 (E_RNA) where: Base-Base interactions energy: -39.920 where: short stacking energy: -29.167 Base-Backbone interact. energy: -0.096 local terms energy: -40.595261 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -3.926 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: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -79.978914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.978914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.978914 (E_RNA) where: Base-Base interactions energy: -31.320 where: short stacking energy: -26.836 Base-Backbone interact. energy: -0.068 local terms energy: -48.590899 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -16.002 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -69.283220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.283220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.283220 (E_RNA) where: Base-Base interactions energy: -18.294 where: short stacking energy: -15.570 Base-Backbone interact. energy: 0.194 local terms energy: -51.182893 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -9.663 flat angles P-C4'-P energy: -10.909 tors. eta vs tors. theta energy: -3.439 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: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -201.254388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.254388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.254388 (E_RNA) where: Base-Base interactions energy: -125.020 where: short stacking energy: -66.844 Base-Backbone interact. energy: -0.974 local terms energy: -75.261023 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -15.810 flat angles C4'-P-C4' energy: -16.375 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -18.898 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: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -217.740168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.740168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.740168 (E_RNA) where: Base-Base interactions energy: -136.224 where: short stacking energy: -60.213 Base-Backbone interact. energy: -0.001 local terms energy: -81.514922 where: bonds (distance) C4'-P energy: -12.064 bonds (distance) P-C4' energy: -16.967 flat angles C4'-P-C4' energy: -16.683 flat angles P-C4'-P energy: -13.909 tors. eta vs tors. theta energy: -21.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -166.682233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.682233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.682233 (E_RNA) where: Base-Base interactions energy: -107.753 where: short stacking energy: -48.488 Base-Backbone interact. energy: -0.377 local terms energy: -58.551847 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -7.367 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: 3 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -200.019546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.019546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.019546 (E_RNA) where: Base-Base interactions energy: -133.496 where: short stacking energy: -62.779 Base-Backbone interact. energy: -2.926 local terms energy: -63.597310 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -14.689 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: 9 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -147.597299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.597299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.597299 (E_RNA) where: Base-Base interactions energy: -85.371 where: short stacking energy: -47.854 Base-Backbone interact. energy: 0.420 local terms energy: -62.645668 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -13.428 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -12.543 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -129.691381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.691381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.691381 (E_RNA) where: Base-Base interactions energy: -76.656 where: short stacking energy: -37.703 Base-Backbone interact. energy: -0.357 local terms energy: -52.677924 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -7.837 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: 4 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -86.382732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.382732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.382732 (E_RNA) where: Base-Base interactions energy: -31.541 where: short stacking energy: -33.150 Base-Backbone interact. energy: -0.196 local terms energy: -54.645998 where: bonds (distance) C4'-P energy: -14.034 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -87.289866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.289866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.289866 (E_RNA) where: Base-Base interactions energy: -33.788 where: short stacking energy: -33.449 Base-Backbone interact. energy: -0.256 local terms energy: -53.246003 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -17.277 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -4.236 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: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -82.405469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.405469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.405469 (E_RNA) where: Base-Base interactions energy: -32.138 where: short stacking energy: -28.897 Base-Backbone interact. energy: 0.298 local terms energy: -50.565557 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -1.170 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -85.387087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.387087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.387087 (E_RNA) where: Base-Base interactions energy: -35.755 where: short stacking energy: -34.738 Base-Backbone interact. energy: -0.219 local terms energy: -49.412793 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -11.216 flat angles C4'-P-C4' energy: -16.334 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -8.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -218.071887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.071887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.071887 (E_RNA) where: Base-Base interactions energy: -144.297 where: short stacking energy: -65.881 Base-Backbone interact. energy: -0.002 local terms energy: -73.772704 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -16.003 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -188.499867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.499867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.499867 (E_RNA) where: Base-Base interactions energy: -120.626 where: short stacking energy: -65.261 Base-Backbone interact. energy: -0.015 local terms energy: -67.859101 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -16.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -194.434333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.434333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.434333 (E_RNA) where: Base-Base interactions energy: -131.259 where: short stacking energy: -60.171 Base-Backbone interact. energy: -0.079 local terms energy: -63.096231 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -14.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -160.510724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.510724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.510724 (E_RNA) where: Base-Base interactions energy: -97.211 where: short stacking energy: -44.903 Base-Backbone interact. energy: -0.121 local terms energy: -63.178384 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -12.743 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -12.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -141.276006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.276006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.276006 (E_RNA) where: Base-Base interactions energy: -77.985 where: short stacking energy: -40.493 Base-Backbone interact. energy: -0.142 local terms energy: -63.149074 where: bonds (distance) C4'-P energy: -16.241 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -140.164836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.164836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.164836 (E_RNA) where: Base-Base interactions energy: -75.357 where: short stacking energy: -47.656 Base-Backbone interact. energy: -0.096 local terms energy: -64.712081 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -14.046 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -16.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -90.575359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.575359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.575359 (E_RNA) where: Base-Base interactions energy: -38.830 where: short stacking energy: -40.230 Base-Backbone interact. energy: -0.237 local terms energy: -51.508054 where: bonds (distance) C4'-P energy: -14.562 bonds (distance) P-C4' energy: -11.215 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -9.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -86.342117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.342117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.342117 (E_RNA) where: Base-Base interactions energy: -31.229 where: short stacking energy: -28.863 Base-Backbone interact. energy: -0.021 local terms energy: -55.092677 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -73.061082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.061082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.061082 (E_RNA) where: Base-Base interactions energy: -31.538 where: short stacking energy: -25.061 Base-Backbone interact. energy: 0.860 local terms energy: -42.383229 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -10.280 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -69.923274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.923274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.923274 (E_RNA) where: Base-Base interactions energy: -25.851 where: short stacking energy: -20.472 Base-Backbone interact. energy: 1.195 local terms energy: -45.267603 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -9.216 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -2.452 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: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -224.581571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.581571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.581571 (E_RNA) where: Base-Base interactions energy: -144.342 where: short stacking energy: -61.014 Base-Backbone interact. energy: -1.120 local terms energy: -79.120004 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -18.024 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -11.585 tors. eta vs tors. theta energy: -19.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -195.786333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.786333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.786333 (E_RNA) where: Base-Base interactions energy: -131.517 where: short stacking energy: -60.396 Base-Backbone interact. energy: -0.072 local terms energy: -64.196541 where: bonds (distance) C4'-P energy: -12.898 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -11.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -188.522268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.522268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.522268 (E_RNA) where: Base-Base interactions energy: -120.005 where: short stacking energy: -50.172 Base-Backbone interact. energy: -0.005 local terms energy: -68.511957 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -16.187 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -12.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -163.880153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.880153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.880153 (E_RNA) where: Base-Base interactions energy: -102.902 where: short stacking energy: -47.417 Base-Backbone interact. energy: -0.198 local terms energy: -60.779982 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -14.941 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -11.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -162.785891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.785891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.785891 (E_RNA) where: Base-Base interactions energy: -102.019 where: short stacking energy: -42.813 Base-Backbone interact. energy: -0.853 local terms energy: -59.913668 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -9.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -133.992468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.992468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.992468 (E_RNA) where: Base-Base interactions energy: -71.106 where: short stacking energy: -44.109 Base-Backbone interact. energy: -0.068 local terms energy: -62.817739 where: bonds (distance) C4'-P energy: -11.925 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -11.256 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: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -77.804141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.804141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.804141 (E_RNA) where: Base-Base interactions energy: -33.924 where: short stacking energy: -27.915 Base-Backbone interact. energy: -0.335 local terms energy: -43.544829 where: bonds (distance) C4'-P energy: -9.451 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -4.188 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -79.378360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.378360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.378360 (E_RNA) where: Base-Base interactions energy: -30.289 where: short stacking energy: -19.014 Base-Backbone interact. energy: -0.101 local terms energy: -48.988252 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -10.528 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -71.858275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.858275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.858275 (E_RNA) where: Base-Base interactions energy: -19.835 where: short stacking energy: -19.835 Base-Backbone interact. energy: -0.111 local terms energy: -51.912681 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -9.318 tors. eta vs tors. theta energy: -1.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -74.596048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.596048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.596048 (E_RNA) where: Base-Base interactions energy: -33.358 where: short stacking energy: -29.002 Base-Backbone interact. energy: -0.135 local terms energy: -41.102271 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -1.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -225.044311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.044311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.044311 (E_RNA) where: Base-Base interactions energy: -154.954 where: short stacking energy: -60.122 Base-Backbone interact. energy: -0.003 local terms energy: -70.087624 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -16.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -207.240310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.240310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.240310 (E_RNA) where: Base-Base interactions energy: -133.407 where: short stacking energy: -63.568 Base-Backbone interact. energy: -0.073 local terms energy: -73.759784 where: bonds (distance) C4'-P energy: -15.467 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -13.158 tors. eta vs tors. theta energy: -16.468 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: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -206.691509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.691509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.691509 (E_RNA) where: Base-Base interactions energy: -132.169 where: short stacking energy: -62.826 Base-Backbone interact. energy: -0.732 local terms energy: -73.790395 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -12.289 tors. eta vs tors. theta energy: -17.673 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: 4, replica: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -159.569420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.569420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.569420 (E_RNA) where: Base-Base interactions energy: -100.310 where: short stacking energy: -54.480 Base-Backbone interact. energy: -0.098 local terms energy: -59.160860 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -10.827 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: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -135.967166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.967166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.967166 (E_RNA) where: Base-Base interactions energy: -72.080 where: short stacking energy: -33.827 Base-Backbone interact. energy: -0.270 local terms energy: -63.616982 where: bonds (distance) C4'-P energy: -17.246 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -122.698260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.698260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.698260 (E_RNA) where: Base-Base interactions energy: -68.776 where: short stacking energy: -34.489 Base-Backbone interact. energy: -0.197 local terms energy: -53.724857 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -83.626236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.626236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.626236 (E_RNA) where: Base-Base interactions energy: -29.964 where: short stacking energy: -22.965 Base-Backbone interact. energy: -0.039 local terms energy: -53.623597 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -12.881 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -104.614935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.614935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.614935 (E_RNA) where: Base-Base interactions energy: -57.914 where: short stacking energy: -26.477 Base-Backbone interact. energy: -0.150 local terms energy: -46.551129 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -11.605 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -3.276 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: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -90.948798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.948798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.948798 (E_RNA) where: Base-Base interactions energy: -33.957 where: short stacking energy: -33.957 Base-Backbone interact. energy: -0.121 local terms energy: -56.870785 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -15.404 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -8.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -70.888711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.888711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.888711 (E_RNA) where: Base-Base interactions energy: -29.792 where: short stacking energy: -26.692 Base-Backbone interact. energy: -0.109 local terms energy: -40.987631 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -1.724 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: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -224.203109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.203109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.203109 (E_RNA) where: Base-Base interactions energy: -139.647 where: short stacking energy: -69.519 Base-Backbone interact. energy: -2.351 local terms energy: -82.204666 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -16.672 flat angles P-C4'-P energy: -12.337 tors. eta vs tors. theta energy: -23.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -216.522082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.522082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.522082 (E_RNA) where: Base-Base interactions energy: -144.961 where: short stacking energy: -64.501 Base-Backbone interact. energy: -0.634 local terms energy: -70.926792 where: bonds (distance) C4'-P energy: -11.292 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -16.831 flat angles P-C4'-P energy: -9.380 tors. eta vs tors. theta energy: -19.063 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: 3, replica: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -193.641765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.641765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.641765 (E_RNA) where: Base-Base interactions energy: -129.182 where: short stacking energy: -46.165 Base-Backbone interact. energy: -0.051 local terms energy: -64.408778 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -159.431295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.431295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.431295 (E_RNA) where: Base-Base interactions energy: -96.031 where: short stacking energy: -47.708 Base-Backbone interact. energy: -0.022 local terms energy: -63.378879 where: bonds (distance) C4'-P energy: -11.210 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -15.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -158.795773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.795773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.795773 (E_RNA) where: Base-Base interactions energy: -88.513 where: short stacking energy: -45.126 Base-Backbone interact. energy: -0.125 local terms energy: -70.157869 where: bonds (distance) C4'-P energy: -15.318 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -13.847 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: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -130.955037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.955037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.955037 (E_RNA) where: Base-Base interactions energy: -79.871 where: short stacking energy: -34.554 Base-Backbone interact. energy: -0.114 local terms energy: -50.970479 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -4.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -90.979291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.979291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.979291 (E_RNA) where: Base-Base interactions energy: -37.539 where: short stacking energy: -34.090 Base-Backbone interact. energy: -0.184 local terms energy: -53.256662 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -6.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -74.111217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.111217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.111217 (E_RNA) where: Base-Base interactions energy: -26.793 where: short stacking energy: -25.112 Base-Backbone interact. energy: -0.361 local terms energy: -46.957965 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -7.198 tors. eta vs tors. theta energy: 2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -80.105657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.105657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.105657 (E_RNA) where: Base-Base interactions energy: -29.988 where: short stacking energy: -18.052 Base-Backbone interact. energy: -1.292 local terms energy: -48.825449 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -75.535038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.535038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.535038 (E_RNA) where: Base-Base interactions energy: -29.234 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.502 local terms energy: -45.799329 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: 1.591 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: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -211.642014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.642014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.642014 (E_RNA) where: Base-Base interactions energy: -140.006 where: short stacking energy: -62.674 Base-Backbone interact. energy: -0.016 local terms energy: -71.620170 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -18.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -213.578769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.578769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.578769 (E_RNA) where: Base-Base interactions energy: -147.272 where: short stacking energy: -65.429 Base-Backbone interact. energy: -0.342 local terms energy: -65.965387 where: bonds (distance) C4'-P energy: -9.749 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -17.108 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -18.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -208.164099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.164099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.164099 (E_RNA) where: Base-Base interactions energy: -148.521 where: short stacking energy: -48.021 Base-Backbone interact. energy: 0.150 local terms energy: -59.792969 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -17.104 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -10.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -170.087343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.087343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.087343 (E_RNA) where: Base-Base interactions energy: -102.600 where: short stacking energy: -49.054 Base-Backbone interact. energy: -0.190 local terms energy: -67.297233 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -12.708 tors. eta vs tors. theta energy: -18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -164.858148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.858148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.858148 (E_RNA) where: Base-Base interactions energy: -100.863 where: short stacking energy: -42.364 Base-Backbone interact. energy: -0.050 local terms energy: -63.944655 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -14.067 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -11.619 tors. eta vs tors. theta energy: -13.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -136.021848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.021848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.021848 (E_RNA) where: Base-Base interactions energy: -84.276 where: short stacking energy: -38.144 Base-Backbone interact. energy: 3.099 local terms energy: -54.844999 where: bonds (distance) C4'-P energy: -9.530 bonds (distance) P-C4' energy: -15.949 flat angles C4'-P-C4' energy: -15.766 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -84.745760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.745760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.745760 (E_RNA) where: Base-Base interactions energy: -30.573 where: short stacking energy: -29.416 Base-Backbone interact. energy: -0.243 local terms energy: -53.929432 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -15.277 flat angles C4'-P-C4' energy: -14.745 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -83.484217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.484217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.484217 (E_RNA) where: Base-Base interactions energy: -37.258 where: short stacking energy: -31.009 Base-Backbone interact. energy: -0.214 local terms energy: -46.012474 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -11.938 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -6.784 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -72.829072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.829072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.829072 (E_RNA) where: Base-Base interactions energy: -26.025 where: short stacking energy: -26.025 Base-Backbone interact. energy: -0.412 local terms energy: -46.391532 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -0.373 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: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -77.913844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.913844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.913844 (E_RNA) where: Base-Base interactions energy: -36.982 where: short stacking energy: -20.945 Base-Backbone interact. energy: -0.478 local terms energy: -40.453292 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -228.126585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.126585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.126585 (E_RNA) where: Base-Base interactions energy: -149.477 where: short stacking energy: -64.331 Base-Backbone interact. energy: -0.133 local terms energy: -78.516585 where: bonds (distance) C4'-P energy: -16.795 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -20.038 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: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -216.412488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.412488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.412488 (E_RNA) where: Base-Base interactions energy: -148.712 where: short stacking energy: -48.154 Base-Backbone interact. energy: -0.398 local terms energy: -67.302046 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -11.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -215.759163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.759163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.759163 (E_RNA) where: Base-Base interactions energy: -143.767 where: short stacking energy: -62.699 Base-Backbone interact. energy: -0.002 local terms energy: -71.989904 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -16.294 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -168.055206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.055206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.055206 (E_RNA) where: Base-Base interactions energy: -103.541 where: short stacking energy: -51.302 Base-Backbone interact. energy: 0.957 local terms energy: -65.471313 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -11.688 flat angles C4'-P-C4' energy: -16.980 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -12.463 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: 13 Temperature: 1.100000 Total energy: -178.531331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.531331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.531331 (E_RNA) where: Base-Base interactions energy: -108.419 where: short stacking energy: -51.399 Base-Backbone interact. energy: 0.018 local terms energy: -70.130897 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -16.218 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -18.233 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: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -83.396862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.396862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.396862 (E_RNA) where: Base-Base interactions energy: -36.827 where: short stacking energy: -29.027 Base-Backbone interact. energy: -0.372 local terms energy: -46.197920 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -9.527 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -78.789662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.789662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.789662 (E_RNA) where: Base-Base interactions energy: -30.325 where: short stacking energy: -30.325 Base-Backbone interact. energy: -0.037 local terms energy: -48.427863 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -13.076 flat angles C4'-P-C4' energy: -11.188 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -5.885 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: 4 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -86.299134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.299134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.299134 (E_RNA) where: Base-Base interactions energy: -37.258 where: short stacking energy: -37.258 Base-Backbone interact. energy: -0.110 local terms energy: -48.931516 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -11.896 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: -6.327 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: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -74.782123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.782123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.782123 (E_RNA) where: Base-Base interactions energy: -32.053 where: short stacking energy: -23.563 Base-Backbone interact. energy: 0.296 local terms energy: -43.025583 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -4.718 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -5.208 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: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -79.796944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.796944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.796944 (E_RNA) where: Base-Base interactions energy: -29.874 where: short stacking energy: -29.604 Base-Backbone interact. energy: 2.379 local terms energy: -52.301936 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -10.947 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -7.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -216.960952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.960952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.960952 (E_RNA) where: Base-Base interactions energy: -148.910 where: short stacking energy: -67.361 Base-Backbone interact. energy: -0.186 local terms energy: -67.865057 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -209.645812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.645812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.645812 (E_RNA) where: Base-Base interactions energy: -141.193 where: short stacking energy: -48.187 Base-Backbone interact. energy: -0.186 local terms energy: -68.266143 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -15.629 flat angles P-C4'-P energy: -12.284 tors. eta vs tors. theta energy: -10.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -219.334289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.334289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.334289 (E_RNA) where: Base-Base interactions energy: -142.146 where: short stacking energy: -68.186 Base-Backbone interact. energy: -0.002 local terms energy: -77.186164 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -17.566 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -12.306 tors. eta vs tors. theta energy: -18.171 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: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -164.001836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.001836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.001836 (E_RNA) where: Base-Base interactions energy: -105.940 where: short stacking energy: -44.803 Base-Backbone interact. energy: -0.139 local terms energy: -57.922662 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -8.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -165.866319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.866319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.866319 (E_RNA) where: Base-Base interactions energy: -101.239 where: short stacking energy: -45.703 Base-Backbone interact. energy: -1.432 local terms energy: -63.195786 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -122.726915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.726915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.726915 (E_RNA) where: Base-Base interactions energy: -68.475 where: short stacking energy: -25.945 Base-Backbone interact. energy: -1.310 local terms energy: -52.941599 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -8.670 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -8.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -100.262078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.262078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.262078 (E_RNA) where: Base-Base interactions energy: -43.708 where: short stacking energy: -41.493 Base-Backbone interact. energy: -0.054 local terms energy: -56.500098 where: bonds (distance) C4'-P energy: -9.123 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -12.845 flat angles P-C4'-P energy: -13.791 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -85.927511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.927511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.927511 (E_RNA) where: Base-Base interactions energy: -35.175 where: short stacking energy: -35.175 Base-Backbone interact. energy: -0.111 local terms energy: -50.641971 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -11.510 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -5.968 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: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -72.916536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.916536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.916536 (E_RNA) where: Base-Base interactions energy: -28.782 where: short stacking energy: -20.573 Base-Backbone interact. energy: -0.022 local terms energy: -44.112597 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -9.747 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -3.858 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: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -74.651650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.651650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.651650 (E_RNA) where: Base-Base interactions energy: -32.283 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.228 local terms energy: -42.140912 where: bonds (distance) C4'-P energy: -8.828 bonds (distance) P-C4' energy: -16.415 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -5.811 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: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -214.942371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.942371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.942371 (E_RNA) where: Base-Base interactions energy: -142.304 where: short stacking energy: -55.279 Base-Backbone interact. energy: -0.907 local terms energy: -71.730965 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -16.081 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -9.657 tors. eta vs tors. theta energy: -15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -216.534864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.534864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.534864 (E_RNA) where: Base-Base interactions energy: -143.065 where: short stacking energy: -62.871 Base-Backbone interact. energy: -0.981 local terms energy: -72.488725 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -19.593 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: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -204.691129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.691129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.691129 (E_RNA) where: Base-Base interactions energy: -136.114 where: short stacking energy: -61.209 Base-Backbone interact. energy: -0.182 local terms energy: -68.394432 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -14.494 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -158.046905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.046905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.046905 (E_RNA) where: Base-Base interactions energy: -108.399 where: short stacking energy: -46.439 Base-Backbone interact. energy: 0.757 local terms energy: -50.403966 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -13.837 flat angles C4'-P-C4' energy: -8.915 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -6.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -169.928021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.928021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.928021 (E_RNA) where: Base-Base interactions energy: -114.292 where: short stacking energy: -51.982 Base-Backbone interact. energy: 1.430 local terms energy: -57.066425 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -4.645 tors. eta vs tors. theta energy: -11.108 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: 15 Temperature: 1.150000 Total energy: -142.625832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.625832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.625832 (E_RNA) where: Base-Base interactions energy: -86.568 where: short stacking energy: -45.669 Base-Backbone interact. energy: -0.032 local terms energy: -56.025623 where: bonds (distance) C4'-P energy: -13.556 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -9.251 flat angles P-C4'-P energy: -9.031 tors. eta vs tors. theta energy: -12.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -113.419008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.419008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.419008 (E_RNA) where: Base-Base interactions energy: -63.728 where: short stacking energy: -33.642 Base-Backbone interact. energy: -0.002 local terms energy: -49.689050 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -5.437 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: 8 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -83.542131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.542131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.542131 (E_RNA) where: Base-Base interactions energy: -38.674 where: short stacking energy: -33.206 Base-Backbone interact. energy: -0.116 local terms energy: -44.751981 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -2.031 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: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -70.554920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.554920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.554920 (E_RNA) where: Base-Base interactions energy: -19.710 where: short stacking energy: -18.248 Base-Backbone interact. energy: 0.835 local terms energy: -51.679475 where: bonds (distance) C4'-P energy: -9.619 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -77.109373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.109373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.109373 (E_RNA) where: Base-Base interactions energy: -30.781 where: short stacking energy: -20.921 Base-Backbone interact. energy: 1.535 local terms energy: -47.863577 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -218.265056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.265056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.265056 (E_RNA) where: Base-Base interactions energy: -150.408 where: short stacking energy: -62.671 Base-Backbone interact. energy: -0.225 local terms energy: -67.631776 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -210.826627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.826627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.826627 (E_RNA) where: Base-Base interactions energy: -143.783 where: short stacking energy: -64.344 Base-Backbone interact. energy: -0.010 local terms energy: -67.033619 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -12.435 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -15.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -203.898382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.898382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.898382 (E_RNA) where: Base-Base interactions energy: -140.943 where: short stacking energy: -64.548 Base-Backbone interact. energy: -0.556 local terms energy: -62.399238 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -9.145 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -153.036863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.036863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.036863 (E_RNA) where: Base-Base interactions energy: -88.590 where: short stacking energy: -38.526 Base-Backbone interact. energy: -0.104 local terms energy: -64.342796 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -183.259326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.259326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.259326 (E_RNA) where: Base-Base interactions energy: -116.857 where: short stacking energy: -58.547 Base-Backbone interact. energy: -0.055 local terms energy: -66.347433 where: bonds (distance) C4'-P energy: -8.726 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -15.672 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -145.218957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.218957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.218957 (E_RNA) where: Base-Base interactions energy: -92.880 where: short stacking energy: -42.404 Base-Backbone interact. energy: -0.062 local terms energy: -52.277514 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -15.803 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -92.732072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.732072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.732072 (E_RNA) where: Base-Base interactions energy: -35.363 where: short stacking energy: -35.363 Base-Backbone interact. energy: -0.256 local terms energy: -57.112327 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -9.339 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: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -97.196262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.196262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.196262 (E_RNA) where: Base-Base interactions energy: -41.509 where: short stacking energy: -30.818 Base-Backbone interact. energy: -0.109 local terms energy: -55.578005 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -4.793 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: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -88.831571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.831571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.831571 (E_RNA) where: Base-Base interactions energy: -39.798 where: short stacking energy: -28.199 Base-Backbone interact. energy: -0.183 local terms energy: -48.851362 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -10.647 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -3.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -74.896161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.896161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.896161 (E_RNA) where: Base-Base interactions energy: -20.182 where: short stacking energy: -18.948 Base-Backbone interact. energy: -0.236 local terms energy: -54.477965 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -227.228216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.228216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.228216 (E_RNA) where: Base-Base interactions energy: -155.644 where: short stacking energy: -72.383 Base-Backbone interact. energy: -1.757 local terms energy: -69.826547 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -16.534 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -19.040 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: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -209.294645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.294645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.294645 (E_RNA) where: Base-Base interactions energy: -137.663 where: short stacking energy: -63.817 Base-Backbone interact. energy: -0.715 local terms energy: -70.915849 where: bonds (distance) C4'-P energy: -14.621 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -16.842 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: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -208.661610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.661610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.661610 (E_RNA) where: Base-Base interactions energy: -142.291 where: short stacking energy: -67.416 Base-Backbone interact. energy: -0.035 local terms energy: -66.336531 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -187.988123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.988123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.988123 (E_RNA) where: Base-Base interactions energy: -111.979 where: short stacking energy: -50.622 Base-Backbone interact. energy: -0.025 local terms energy: -75.983940 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -17.718 flat angles C4'-P-C4' energy: -16.672 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -17.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -160.134819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.134819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.134819 (E_RNA) where: Base-Base interactions energy: -107.699 where: short stacking energy: -41.629 Base-Backbone interact. energy: -0.820 local terms energy: -51.616305 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -7.664 tors. eta vs tors. theta energy: -9.344 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: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -163.476816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.476816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.476816 (E_RNA) where: Base-Base interactions energy: -102.656 where: short stacking energy: -46.671 Base-Backbone interact. energy: -0.167 local terms energy: -60.653638 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -16.590 flat angles P-C4'-P energy: -9.253 tors. eta vs tors. theta energy: -7.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -93.451320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.451320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.451320 (E_RNA) where: Base-Base interactions energy: -32.172 where: short stacking energy: -29.352 Base-Backbone interact. energy: -0.056 local terms energy: -61.223137 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -11.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -80.150878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.150878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.150878 (E_RNA) where: Base-Base interactions energy: -40.114 where: short stacking energy: -32.557 Base-Backbone interact. energy: -0.844 local terms energy: -39.192138 where: bonds (distance) C4'-P energy: -6.609 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -0.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -86.369200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.369200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.369200 (E_RNA) where: Base-Base interactions energy: -36.417 where: short stacking energy: -29.493 Base-Backbone interact. energy: -0.151 local terms energy: -49.800898 where: bonds (distance) C4'-P energy: -8.227 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -82.579670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.579670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.579670 (E_RNA) where: Base-Base interactions energy: -41.259 where: short stacking energy: -33.122 Base-Backbone interact. energy: -0.479 local terms energy: -40.841471 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -0.367 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: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -215.094480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.094480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.094480 (E_RNA) where: Base-Base interactions energy: -146.148 where: short stacking energy: -64.827 Base-Backbone interact. energy: -0.105 local terms energy: -68.841878 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -17.464 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: -19.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -217.743774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.743774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.743774 (E_RNA) where: Base-Base interactions energy: -146.215 where: short stacking energy: -64.761 Base-Backbone interact. energy: -0.250 local terms energy: -71.278976 where: bonds (distance) C4'-P energy: -16.380 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -12.631 tors. eta vs tors. theta energy: -17.515 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: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -206.798516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.798516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.798516 (E_RNA) where: Base-Base interactions energy: -135.672 where: short stacking energy: -64.460 Base-Backbone interact. energy: -0.001 local terms energy: -71.125195 where: bonds (distance) C4'-P energy: -12.422 bonds (distance) P-C4' energy: -15.058 flat angles C4'-P-C4' energy: -14.638 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -17.729 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: 18 Temperature: 1.050000 Total energy: -171.006174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.006174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.006174 (E_RNA) where: Base-Base interactions energy: -105.243 where: short stacking energy: -53.817 Base-Backbone interact. energy: -0.396 local terms energy: -65.367579 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -16.935 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: 18 Temperature: 1.100000 Total energy: -175.158106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.158106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.158106 (E_RNA) where: Base-Base interactions energy: -114.056 where: short stacking energy: -46.392 Base-Backbone interact. energy: -0.126 local terms energy: -60.976315 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -10.928 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -12.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -190.796992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.796992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.796992 (E_RNA) where: Base-Base interactions energy: -123.730 where: short stacking energy: -50.902 Base-Backbone interact. energy: -0.004 local terms energy: -67.063400 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -19.295 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: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -88.764157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.764157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.764157 (E_RNA) where: Base-Base interactions energy: -32.623 where: short stacking energy: -32.623 Base-Backbone interact. energy: -0.000 local terms energy: -56.140805 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -11.140 flat angles P-C4'-P energy: -8.110 tors. eta vs tors. theta energy: -8.748 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: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -80.948128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.948128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.948128 (E_RNA) where: Base-Base interactions energy: -30.101 where: short stacking energy: -26.306 Base-Backbone interact. energy: -0.069 local terms energy: -50.777337 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -9.658 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -11.507 tors. eta vs tors. theta energy: -8.379 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: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -86.003472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.003472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.003472 (E_RNA) where: Base-Base interactions energy: -29.691 where: short stacking energy: -29.691 Base-Backbone interact. energy: -0.456 local terms energy: -55.856520 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -16.496 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -7.358 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: 10, replica: 4 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -74.799934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.799934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.799934 (E_RNA) where: Base-Base interactions energy: -30.172 where: short stacking energy: -18.493 Base-Backbone interact. energy: 2.076 local terms energy: -46.703970 where: bonds (distance) C4'-P energy: -10.252 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: 2.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -219.089919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.089919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.089919 (E_RNA) where: Base-Base interactions energy: -138.748 where: short stacking energy: -62.488 Base-Backbone interact. energy: -0.013 local terms energy: -80.329130 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.784 flat angles C4'-P-C4' energy: -16.062 flat angles P-C4'-P energy: -13.240 tors. eta vs tors. theta energy: -19.966 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: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -215.732535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.732535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.732535 (E_RNA) where: Base-Base interactions energy: -139.665 where: short stacking energy: -66.660 Base-Backbone interact. energy: -0.800 local terms energy: -75.267351 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -19.962 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: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -212.078702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.078702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.078702 (E_RNA) where: Base-Base interactions energy: -134.168 where: short stacking energy: -63.029 Base-Backbone interact. energy: -0.001 local terms energy: -77.909183 where: bonds (distance) C4'-P energy: -16.853 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -19.406 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: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -158.392064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.392064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.392064 (E_RNA) where: Base-Base interactions energy: -96.189 where: short stacking energy: -41.924 Base-Backbone interact. energy: 0.065 local terms energy: -62.268609 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -16.248 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -166.586435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.586435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.586435 (E_RNA) where: Base-Base interactions energy: -96.467 where: short stacking energy: -50.185 Base-Backbone interact. energy: -0.100 local terms energy: -70.019028 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -178.740470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.740470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.740470 (E_RNA) where: Base-Base interactions energy: -110.120 where: short stacking energy: -47.319 Base-Backbone interact. energy: -0.083 local terms energy: -68.538136 where: bonds (distance) C4'-P energy: -13.051 bonds (distance) P-C4' energy: -16.345 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -12.468 tors. eta vs tors. theta energy: -10.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -101.094205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.094205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.094205 (E_RNA) where: Base-Base interactions energy: -56.808 where: short stacking energy: -26.576 Base-Backbone interact. energy: -0.213 local terms energy: -44.072900 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -90.763016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.763016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.763016 (E_RNA) where: Base-Base interactions energy: -44.229 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.016 local terms energy: -46.518816 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -14.040 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -76.747137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.747137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.747137 (E_RNA) where: Base-Base interactions energy: -30.641 where: short stacking energy: -26.987 Base-Backbone interact. energy: 2.323 local terms energy: -48.428906 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -11.277 tors. eta vs tors. theta energy: 0.547 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: 4 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -81.943229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.943229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.943229 (E_RNA) where: Base-Base interactions energy: -36.524 where: short stacking energy: -23.533 Base-Backbone interact. energy: -0.133 local terms energy: -45.285925 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -13.645 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -219.746844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.746844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.746844 (E_RNA) where: Base-Base interactions energy: -147.466 where: short stacking energy: -68.686 Base-Backbone interact. energy: -0.027 local terms energy: -72.253745 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -10.490 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -10.655 tors. eta vs tors. theta energy: -21.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -219.169647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.169647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.169647 (E_RNA) where: Base-Base interactions energy: -144.312 where: short stacking energy: -65.578 Base-Backbone interact. energy: -0.020 local terms energy: -74.837058 where: bonds (distance) C4'-P energy: -15.884 bonds (distance) P-C4' energy: -10.468 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -13.088 tors. eta vs tors. theta energy: -19.038 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: 5 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -182.020146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.020146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.020146 (E_RNA) where: Base-Base interactions energy: -107.622 where: short stacking energy: -55.442 Base-Backbone interact. energy: -0.780 local terms energy: -73.617725 where: bonds (distance) C4'-P energy: -15.780 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -11.089 tors. eta vs tors. theta energy: -17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -207.857949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.857949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.857949 (E_RNA) where: Base-Base interactions energy: -132.864 where: short stacking energy: -64.915 Base-Backbone interact. energy: -0.634 local terms energy: -74.359107 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -21.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -149.714280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.714280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.714280 (E_RNA) where: Base-Base interactions energy: -93.427 where: short stacking energy: -47.222 Base-Backbone interact. energy: 0.346 local terms energy: -56.633141 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -9.000 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: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -138.913595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.913595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.913595 (E_RNA) where: Base-Base interactions energy: -81.428 where: short stacking energy: -51.094 Base-Backbone interact. energy: -0.007 local terms energy: -57.477892 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -1.410 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -89.199108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.199108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.199108 (E_RNA) where: Base-Base interactions energy: -30.487 where: short stacking energy: -29.700 Base-Backbone interact. energy: -0.205 local terms energy: -58.506681 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -83.493694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.493694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.493694 (E_RNA) where: Base-Base interactions energy: -32.694 where: short stacking energy: -32.694 Base-Backbone interact. energy: -0.342 local terms energy: -50.457295 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -3.439 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: 4 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -69.993500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.993500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.993500 (E_RNA) where: Base-Base interactions energy: -30.229 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.359 local terms energy: -39.405406 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -12.398 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: 3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -70.599099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.599099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.599099 (E_RNA) where: Base-Base interactions energy: -23.756 where: short stacking energy: -23.723 Base-Backbone interact. energy: -0.171 local terms energy: -46.671549 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -11.686 flat angles C4'-P-C4' energy: -12.356 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -219.446815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.446815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.446815 (E_RNA) where: Base-Base interactions energy: -147.982 where: short stacking energy: -67.423 Base-Backbone interact. energy: -0.003 local terms energy: -71.462084 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -15.734 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -19.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -196.911947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.911947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.911947 (E_RNA) where: Base-Base interactions energy: -118.117 where: short stacking energy: -56.617 Base-Backbone interact. energy: -0.126 local terms energy: -78.669413 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -20.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -214.460652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.460652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.460652 (E_RNA) where: Base-Base interactions energy: -142.404 where: short stacking energy: -64.484 Base-Backbone interact. energy: -0.007 local terms energy: -72.049186 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -12.527 tors. eta vs tors. theta energy: -19.929 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: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -207.882450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.882450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.882450 (E_RNA) where: Base-Base interactions energy: -144.862 where: short stacking energy: -61.269 Base-Backbone interact. energy: -0.005 local terms energy: -63.015498 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -15.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -144.243920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.243920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.243920 (E_RNA) where: Base-Base interactions energy: -78.668 where: short stacking energy: -43.034 Base-Backbone interact. energy: -0.068 local terms energy: -65.507620 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -9.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -165.351185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.351185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.351185 (E_RNA) where: Base-Base interactions energy: -108.890 where: short stacking energy: -54.558 Base-Backbone interact. energy: -0.012 local terms energy: -56.448460 where: bonds (distance) C4'-P energy: -4.715 bonds (distance) P-C4' energy: -13.270 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -14.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -91.213690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.213690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.213690 (E_RNA) where: Base-Base interactions energy: -37.014 where: short stacking energy: -37.014 Base-Backbone interact. energy: 0.676 local terms energy: -54.875693 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -13.993 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -80.192313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.192313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.192313 (E_RNA) where: Base-Base interactions energy: -32.381 where: short stacking energy: -20.882 Base-Backbone interact. energy: -0.266 local terms energy: -47.545393 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -9.237 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -75.666287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.666287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.666287 (E_RNA) where: Base-Base interactions energy: -25.902 where: short stacking energy: -23.996 Base-Backbone interact. energy: -0.270 local terms energy: -49.494848 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -72.192876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.192876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.192876 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -21.680 Base-Backbone interact. energy: -0.253 local terms energy: -44.384923 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -1.728 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: 5 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -193.837539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.837539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.837539 (E_RNA) where: Base-Base interactions energy: -114.806 where: short stacking energy: -55.783 Base-Backbone interact. energy: -0.000 local terms energy: -79.031044 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -17.052 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -20.438 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: 2, replica: 2 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -218.714060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.714060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.714060 (E_RNA) where: Base-Base interactions energy: -147.867 where: short stacking energy: -64.627 Base-Backbone interact. energy: 0.518 local terms energy: -71.364163 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -13.688 tors. eta vs tors. theta energy: -17.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -213.341329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.341329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.341329 (E_RNA) where: Base-Base interactions energy: -135.294 where: short stacking energy: -60.763 Base-Backbone interact. energy: -1.498 local terms energy: -76.549872 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -17.200 flat angles C4'-P-C4' energy: -13.243 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -209.363174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.363174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.363174 (E_RNA) where: Base-Base interactions energy: -139.015 where: short stacking energy: -64.393 Base-Backbone interact. energy: -0.611 local terms energy: -69.736434 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -12.446 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -20.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -146.975004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.975004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.975004 (E_RNA) where: Base-Base interactions energy: -92.684 where: short stacking energy: -42.615 Base-Backbone interact. energy: -0.117 local terms energy: -54.173323 where: bonds (distance) C4'-P energy: -12.111 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -148.390903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.390903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.390903 (E_RNA) where: Base-Base interactions energy: -86.219 where: short stacking energy: -52.703 Base-Backbone interact. energy: -0.010 local terms energy: -62.161971 where: bonds (distance) C4'-P energy: -13.229 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -13.978 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: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -90.650648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.650648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.650648 (E_RNA) where: Base-Base interactions energy: -47.721 where: short stacking energy: -20.985 Base-Backbone interact. energy: 2.041 local terms energy: -44.969721 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: 2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -83.807186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.807186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.807186 (E_RNA) where: Base-Base interactions energy: -34.247 where: short stacking energy: -23.874 Base-Backbone interact. energy: -0.523 local terms energy: -49.037392 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -0.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -81.149560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.149560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.149560 (E_RNA) where: Base-Base interactions energy: -28.300 where: short stacking energy: -24.093 Base-Backbone interact. energy: 0.524 local terms energy: -53.374251 where: bonds (distance) C4'-P energy: -14.915 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -10.233 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -6.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -72.616214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.616214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.616214 (E_RNA) where: Base-Base interactions energy: -27.486 where: short stacking energy: -25.553 Base-Backbone interact. energy: -0.199 local terms energy: -44.930912 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -4.267 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: 5 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -193.470397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.470397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.470397 (E_RNA) where: Base-Base interactions energy: -121.533 where: short stacking energy: -52.162 Base-Backbone interact. energy: -0.205 local terms energy: -71.732287 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -216.110675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.110675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.110675 (E_RNA) where: Base-Base interactions energy: -144.156 where: short stacking energy: -72.321 Base-Backbone interact. energy: -0.025 local terms energy: -71.929542 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -21.794 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: 2 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -213.091776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.091776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.091776 (E_RNA) where: Base-Base interactions energy: -143.414 where: short stacking energy: -62.274 Base-Backbone interact. energy: -0.029 local terms energy: -69.648721 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -17.411 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: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -171.952269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.952269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.952269 (E_RNA) where: Base-Base interactions energy: -106.744 where: short stacking energy: -42.834 Base-Backbone interact. energy: -0.006 local terms energy: -65.201915 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -15.046 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: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -205.983122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.983122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.983122 (E_RNA) where: Base-Base interactions energy: -143.581 where: short stacking energy: -44.420 Base-Backbone interact. energy: -0.109 local terms energy: -62.293228 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -10.121 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -13.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -85.508104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.508104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.508104 (E_RNA) where: Base-Base interactions energy: -37.063 where: short stacking energy: -32.967 Base-Backbone interact. energy: -0.043 local terms energy: -48.402579 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -9.781 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -131.814408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.814408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.814408 (E_RNA) where: Base-Base interactions energy: -76.204 where: short stacking energy: -35.780 Base-Backbone interact. energy: -1.453 local terms energy: -54.157310 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -11.963 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -90.142906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.142906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.142906 (E_RNA) where: Base-Base interactions energy: -38.048 where: short stacking energy: -35.156 Base-Backbone interact. energy: -0.146 local terms energy: -51.949548 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -84.058954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.058954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.058954 (E_RNA) where: Base-Base interactions energy: -33.180 where: short stacking energy: -28.510 Base-Backbone interact. energy: 0.434 local terms energy: -51.312833 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -73.083028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.083028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.083028 (E_RNA) where: Base-Base interactions energy: -18.239 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.134 local terms energy: -54.710171 where: bonds (distance) C4'-P energy: -10.017 bonds (distance) P-C4' energy: -16.802 flat angles C4'-P-C4' energy: -15.066 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -5.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -213.513442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.513442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.513442 (E_RNA) where: Base-Base interactions energy: -141.396 where: short stacking energy: -67.621 Base-Backbone interact. energy: -0.114 local terms energy: -72.003493 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -20.306 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: 5 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -190.835813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.835813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.835813 (E_RNA) where: Base-Base interactions energy: -121.862 where: short stacking energy: -57.119 Base-Backbone interact. energy: -0.019 local terms energy: -68.954571 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -171.914656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.914656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.914656 (E_RNA) where: Base-Base interactions energy: -104.486 where: short stacking energy: -49.887 Base-Backbone interact. energy: -0.155 local terms energy: -67.274347 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -14.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -210.092134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.092134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.092134 (E_RNA) where: Base-Base interactions energy: -139.734 where: short stacking energy: -57.874 Base-Backbone interact. energy: -0.003 local terms energy: -70.355419 where: bonds (distance) C4'-P energy: -15.913 bonds (distance) P-C4' energy: -10.769 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -9.645 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: 5, replica: 1 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -196.081495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.081495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.081495 (E_RNA) where: Base-Base interactions energy: -126.158 where: short stacking energy: -54.040 Base-Backbone interact. energy: -0.486 local terms energy: -69.437352 where: bonds (distance) C4'-P energy: -16.190 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -15.702 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -90.367203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.367203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.367203 (E_RNA) where: Base-Base interactions energy: -29.981 where: short stacking energy: -24.438 Base-Backbone interact. energy: -0.107 local terms energy: -60.279259 where: bonds (distance) C4'-P energy: -9.912 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -11.407 tors. eta vs tors. theta energy: -6.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -143.874708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.874708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.874708 (E_RNA) where: Base-Base interactions energy: -97.337 where: short stacking energy: -42.953 Base-Backbone interact. energy: -0.263 local terms energy: -46.275196 where: bonds (distance) C4'-P energy: -8.233 bonds (distance) P-C4' energy: -9.728 flat angles C4'-P-C4' energy: -11.059 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -7.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -72.381909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.381909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.381909 (E_RNA) where: Base-Base interactions energy: -31.319 where: short stacking energy: -31.319 Base-Backbone interact. energy: -0.085 local terms energy: -40.978519 where: bonds (distance) C4'-P energy: -9.086 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -0.934 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -84.467386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.467386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.467386 (E_RNA) where: Base-Base interactions energy: -35.747 where: short stacking energy: -31.182 Base-Backbone interact. energy: 0.061 local terms energy: -48.780787 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -16.326 flat angles C4'-P-C4' energy: -16.290 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: 3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -77.882159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.882159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.882159 (E_RNA) where: Base-Base interactions energy: -41.610 where: short stacking energy: -21.104 Base-Backbone interact. energy: -0.726 local terms energy: -35.546327 where: bonds (distance) C4'-P energy: -7.865 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: 5.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -218.809964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.809964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.809964 (E_RNA) where: Base-Base interactions energy: -140.358 where: short stacking energy: -63.788 Base-Backbone interact. energy: -0.950 local terms energy: -77.502580 where: bonds (distance) C4'-P energy: -12.866 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -12.419 tors. eta vs tors. theta energy: -19.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -190.993881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.993881 (E_RNA) where: Base-Base interactions energy: -125.408 where: short stacking energy: -56.460 Base-Backbone interact. energy: -0.161 local terms energy: -65.424998 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -15.050 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: 25 Temperature: 1.000000 Total energy: -153.156019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.156019 (E_RNA) where: Base-Base interactions energy: -95.117 where: short stacking energy: -42.869 Base-Backbone interact. energy: -0.116 local terms energy: -57.922254 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -201.310421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.310421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.310421 (E_RNA) where: Base-Base interactions energy: -130.315 where: short stacking energy: -57.480 Base-Backbone interact. energy: -0.409 local terms energy: -70.586424 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -18.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -199.826029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.826029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.826029 (E_RNA) where: Base-Base interactions energy: -126.995 where: short stacking energy: -57.722 Base-Backbone interact. energy: -0.156 local terms energy: -72.674650 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -16.141 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -19.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -156.288564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.288564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.288564 (E_RNA) where: Base-Base interactions energy: -99.147 where: short stacking energy: -48.980 Base-Backbone interact. energy: -0.029 local terms energy: -57.112625 where: bonds (distance) C4'-P energy: -8.999 bonds (distance) P-C4' energy: -10.395 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -13.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -94.270870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.270870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.270870 (E_RNA) where: Base-Base interactions energy: -43.889 where: short stacking energy: -31.985 Base-Backbone interact. energy: -1.541 local terms energy: -48.840274 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -11.021 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -83.639897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.639897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.639897 (E_RNA) where: Base-Base interactions energy: -37.311 where: short stacking energy: -27.355 Base-Backbone interact. energy: -0.025 local terms energy: -46.304066 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -13.482 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: 1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -81.354306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.354306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.354306 (E_RNA) where: Base-Base interactions energy: -35.907 where: short stacking energy: -32.481 Base-Backbone interact. energy: -0.417 local terms energy: -45.029577 where: bonds (distance) C4'-P energy: -4.325 bonds (distance) P-C4' energy: -14.601 flat angles C4'-P-C4' energy: -12.384 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -5.972 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: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -75.296266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.296266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.296266 (E_RNA) where: Base-Base interactions energy: -31.019 where: short stacking energy: -20.448 Base-Backbone interact. energy: -0.940 local terms energy: -43.337185 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -9.390 tors. eta vs tors. theta energy: 1.670 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: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -218.491003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.491003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.491003 (E_RNA) where: Base-Base interactions energy: -138.214 where: short stacking energy: -64.240 Base-Backbone interact. energy: -0.099 local terms energy: -80.177541 where: bonds (distance) C4'-P energy: -16.799 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -17.126 flat angles P-C4'-P energy: -12.222 tors. eta vs tors. theta energy: -20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -194.779810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.779810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.779810 (E_RNA) where: Base-Base interactions energy: -128.019 where: short stacking energy: -54.575 Base-Backbone interact. energy: 0.072 local terms energy: -66.832571 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -216.041864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.041864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.041864 (E_RNA) where: Base-Base interactions energy: -143.656 where: short stacking energy: -67.529 Base-Backbone interact. energy: -0.048 local terms energy: -72.338060 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -19.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -151.189796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.189796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.189796 (E_RNA) where: Base-Base interactions energy: -97.218 where: short stacking energy: -45.619 Base-Backbone interact. energy: -0.649 local terms energy: -53.323452 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -7.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -197.688640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.688640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.688640 (E_RNA) where: Base-Base interactions energy: -130.954 where: short stacking energy: -53.225 Base-Backbone interact. energy: 0.563 local terms energy: -67.298151 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -13.885 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -14.933 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: 26 Temperature: 1.150000 Total energy: -139.562823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.562823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.562823 (E_RNA) where: Base-Base interactions energy: -84.474 where: short stacking energy: -33.001 Base-Backbone interact. energy: -0.398 local terms energy: -54.690450 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -6.234 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: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -87.305208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.305208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.305208 (E_RNA) where: Base-Base interactions energy: -37.405 where: short stacking energy: -37.405 Base-Backbone interact. energy: -0.178 local terms energy: -49.721900 where: bonds (distance) C4'-P energy: -8.001 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -7.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -84.889191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.889191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.889191 (E_RNA) where: Base-Base interactions energy: -30.387 where: short stacking energy: -30.387 Base-Backbone interact. energy: -0.127 local terms energy: -54.374733 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -6.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -71.496446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.496446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.496446 (E_RNA) where: Base-Base interactions energy: -23.544 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.190 local terms energy: -47.762491 where: bonds (distance) C4'-P energy: -11.512 bonds (distance) P-C4' energy: -13.614 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -2.687 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -71.099103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.099103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.099103 (E_RNA) where: Base-Base interactions energy: -30.450 where: short stacking energy: -24.484 Base-Backbone interact. energy: -1.157 local terms energy: -39.491756 where: bonds (distance) C4'-P energy: -10.262 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -1.903 tors. eta vs tors. theta energy: 0.025 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: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -220.766591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.766591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.766591 (E_RNA) where: Base-Base interactions energy: -142.255 where: short stacking energy: -63.696 Base-Backbone interact. energy: -0.237 local terms energy: -78.275483 where: bonds (distance) C4'-P energy: -16.419 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -19.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -216.241710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.241710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.241710 (E_RNA) where: Base-Base interactions energy: -142.477 where: short stacking energy: -65.714 Base-Backbone interact. energy: -0.223 local terms energy: -73.541869 where: bonds (distance) C4'-P energy: -15.142 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -18.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -191.864893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.864893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.864893 (E_RNA) where: Base-Base interactions energy: -128.553 where: short stacking energy: -46.564 Base-Backbone interact. energy: -0.071 local terms energy: -63.240925 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -16.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -211.066616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.066616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.066616 (E_RNA) where: Base-Base interactions energy: -145.387 where: short stacking energy: -50.797 Base-Backbone interact. energy: -0.221 local terms energy: -65.459000 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -13.117 tors. eta vs tors. theta energy: -14.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -155.038096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.038096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.038096 (E_RNA) where: Base-Base interactions energy: -93.057 where: short stacking energy: -40.819 Base-Backbone interact. energy: -0.112 local terms energy: -61.868916 where: bonds (distance) C4'-P energy: -14.451 bonds (distance) P-C4' energy: -11.541 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -7.017 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: 6, replica: 6 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -156.123815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.123815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.123815 (E_RNA) where: Base-Base interactions energy: -97.195 where: short stacking energy: -50.750 Base-Backbone interact. energy: -0.043 local terms energy: -58.885295 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -14.545 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -11.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -87.644882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.644882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.644882 (E_RNA) where: Base-Base interactions energy: -33.543 where: short stacking energy: -33.546 Base-Backbone interact. energy: -0.106 local terms energy: -53.996772 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -8.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -78.404970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.404970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.404970 (E_RNA) where: Base-Base interactions energy: -29.655 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.045 local terms energy: -48.705016 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -3.689 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: 10 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -75.840480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.840480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.840480 (E_RNA) where: Base-Base interactions energy: -31.554 where: short stacking energy: -30.760 Base-Backbone interact. energy: -0.086 local terms energy: -44.200842 where: bonds (distance) C4'-P energy: -9.711 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -2.265 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: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -73.231448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.231448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.231448 (E_RNA) where: Base-Base interactions energy: -22.814 where: short stacking energy: -22.138 Base-Backbone interact. energy: -0.043 local terms energy: -50.374489 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -4.091 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: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -220.694133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.694133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.694133 (E_RNA) where: Base-Base interactions energy: -147.660 where: short stacking energy: -64.686 Base-Backbone interact. energy: -0.003 local terms energy: -73.030939 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -19.712 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: 3 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -216.583840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.583840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.583840 (E_RNA) where: Base-Base interactions energy: -143.811 where: short stacking energy: -64.427 Base-Backbone interact. energy: -0.397 local terms energy: -72.376086 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -18.016 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -204.779949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.779949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.779949 (E_RNA) where: Base-Base interactions energy: -136.624 where: short stacking energy: -53.110 Base-Backbone interact. energy: -1.225 local terms energy: -66.930895 where: bonds (distance) C4'-P energy: -15.706 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -14.902 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: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -175.437999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.437999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.437999 (E_RNA) where: Base-Base interactions energy: -114.032 where: short stacking energy: -57.396 Base-Backbone interact. energy: 1.153 local terms energy: -62.558597 where: bonds (distance) C4'-P energy: -9.927 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -168.408134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.408134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.408134 (E_RNA) where: Base-Base interactions energy: -104.345 where: short stacking energy: -52.376 Base-Backbone interact. energy: -0.612 local terms energy: -63.451227 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -14.435 flat angles P-C4'-P energy: -8.228 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: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -157.146056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.146056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.146056 (E_RNA) where: Base-Base interactions energy: -97.726 where: short stacking energy: -46.810 Base-Backbone interact. energy: -0.635 local terms energy: -58.784531 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -10.155 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -86.311103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.311103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.311103 (E_RNA) where: Base-Base interactions energy: -38.629 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.142 local terms energy: -47.540256 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -6.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -84.414679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.414679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.414679 (E_RNA) where: Base-Base interactions energy: -39.212 where: short stacking energy: -35.136 Base-Backbone interact. energy: -0.312 local terms energy: -44.891046 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -72.628315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.628315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.628315 (E_RNA) where: Base-Base interactions energy: -26.716 where: short stacking energy: -26.837 Base-Backbone interact. energy: -0.044 local terms energy: -45.867598 where: bonds (distance) C4'-P energy: -8.030 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -78.081514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.081514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.081514 (E_RNA) where: Base-Base interactions energy: -29.565 where: short stacking energy: -21.866 Base-Backbone interact. energy: -0.301 local terms energy: -48.215624 where: bonds (distance) C4'-P energy: -13.150 bonds (distance) P-C4' energy: -14.000 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -0.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -230.787828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.787828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.787828 (E_RNA) where: Base-Base interactions energy: -150.053 where: short stacking energy: -70.229 Base-Backbone interact. energy: -1.137 local terms energy: -79.597774 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -16.713 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -13.004 tors. eta vs tors. theta energy: -20.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -216.523914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.523914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.523914 (E_RNA) where: Base-Base interactions energy: -151.181 where: short stacking energy: -56.128 Base-Backbone interact. energy: -0.191 local terms energy: -65.152091 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -13.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -217.591050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.591050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.591050 (E_RNA) where: Base-Base interactions energy: -139.586 where: short stacking energy: -66.909 Base-Backbone interact. energy: -2.937 local terms energy: -75.068436 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -12.348 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -164.108497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.108497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.108497 (E_RNA) where: Base-Base interactions energy: -109.918 where: short stacking energy: -49.280 Base-Backbone interact. energy: 1.105 local terms energy: -55.295609 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -11.303 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -11.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -169.943363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.943363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.943363 (E_RNA) where: Base-Base interactions energy: -106.839 where: short stacking energy: -47.547 Base-Backbone interact. energy: -0.033 local terms energy: -63.071192 where: bonds (distance) C4'-P energy: -9.668 bonds (distance) P-C4' energy: -11.449 flat angles C4'-P-C4' energy: -16.498 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -162.995023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.995023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.995023 (E_RNA) where: Base-Base interactions energy: -109.872 where: short stacking energy: -47.100 Base-Backbone interact. energy: 0.010 local terms energy: -53.132501 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -10.590 tors. eta vs tors. theta energy: -10.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -92.737948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.737948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.737948 (E_RNA) where: Base-Base interactions energy: -37.267 where: short stacking energy: -27.290 Base-Backbone interact. energy: -0.018 local terms energy: -55.452865 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -8.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -82.503569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.503569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.503569 (E_RNA) where: Base-Base interactions energy: -25.072 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.014 local terms energy: -57.417676 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -12.024 tors. eta vs tors. theta energy: -1.804 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: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -85.046255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.046255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.046255 (E_RNA) where: Base-Base interactions energy: -36.544 where: short stacking energy: -25.106 Base-Backbone interact. energy: 0.751 local terms energy: -49.252971 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -66.679148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.679148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.679148 (E_RNA) where: Base-Base interactions energy: -25.584 where: short stacking energy: -22.487 Base-Backbone interact. energy: -0.252 local terms energy: -40.842722 where: bonds (distance) C4'-P energy: -10.190 bonds (distance) P-C4' energy: -14.276 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -11.758 tors. eta vs tors. theta energy: 2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -219.628580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.628580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.628580 (E_RNA) where: Base-Base interactions energy: -145.331 where: short stacking energy: -57.223 Base-Backbone interact. energy: -0.053 local terms energy: -74.243912 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -16.467 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -17.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -217.780128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.780128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.780128 (E_RNA) where: Base-Base interactions energy: -145.674 where: short stacking energy: -63.414 Base-Backbone interact. energy: -1.462 local terms energy: -70.644410 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -9.241 tors. eta vs tors. theta energy: -18.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -207.396184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.396184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.396184 (E_RNA) where: Base-Base interactions energy: -134.518 where: short stacking energy: -55.270 Base-Backbone interact. energy: 0.866 local terms energy: -73.744127 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -14.051 flat angles C4'-P-C4' energy: -16.233 flat angles P-C4'-P energy: -12.834 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: 4, replica: 6 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -148.686676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.686676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.686676 (E_RNA) where: Base-Base interactions energy: -86.163 where: short stacking energy: -49.733 Base-Backbone interact. energy: -0.038 local terms energy: -62.485142 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -10.939 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: 5, replica: 7 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -178.706928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.706928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.706928 (E_RNA) where: Base-Base interactions energy: -124.832 where: short stacking energy: -45.155 Base-Backbone interact. energy: -0.212 local terms energy: -53.662821 where: bonds (distance) C4'-P energy: -15.949 bonds (distance) P-C4' energy: -7.257 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -149.232553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.232553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.232553 (E_RNA) where: Base-Base interactions energy: -91.765 where: short stacking energy: -36.633 Base-Backbone interact. energy: -0.262 local terms energy: -57.205508 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -5.754 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: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -94.123913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.123913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.123913 (E_RNA) where: Base-Base interactions energy: -45.438 where: short stacking energy: -22.610 Base-Backbone interact. energy: -1.523 local terms energy: -47.163192 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -73.306651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.306651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.306651 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -22.127 Base-Backbone interact. energy: -0.110 local terms energy: -48.482478 where: bonds (distance) C4'-P energy: -8.225 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -68.392939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.392939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.392939 (E_RNA) where: Base-Base interactions energy: -14.810 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.111 local terms energy: -53.472808 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -16.602 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -2.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -80.717941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.717941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.717941 (E_RNA) where: Base-Base interactions energy: -31.267 where: short stacking energy: -20.324 Base-Backbone interact. energy: -0.144 local terms energy: -49.306878 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -6.451 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: 1, replica: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -218.806183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.806183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.806183 (E_RNA) where: Base-Base interactions energy: -153.286 where: short stacking energy: -52.159 Base-Backbone interact. energy: -0.092 local terms energy: -65.427890 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -11.481 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -229.799837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.799837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.799837 (E_RNA) where: Base-Base interactions energy: -150.114 where: short stacking energy: -70.801 Base-Backbone interact. energy: -2.995 local terms energy: -76.690255 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -13.322 tors. eta vs tors. theta energy: -21.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -204.228673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.228673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.228673 (E_RNA) where: Base-Base interactions energy: -134.034 where: short stacking energy: -58.703 Base-Backbone interact. energy: -0.083 local terms energy: -70.111500 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -18.123 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: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -173.590829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.590829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.590829 (E_RNA) where: Base-Base interactions energy: -115.591 where: short stacking energy: -50.468 Base-Backbone interact. energy: -0.297 local terms energy: -57.702759 where: bonds (distance) C4'-P energy: -15.648 bonds (distance) P-C4' energy: -8.759 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -11.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -143.217012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.217012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.217012 (E_RNA) where: Base-Base interactions energy: -85.378 where: short stacking energy: -52.535 Base-Backbone interact. energy: -0.010 local terms energy: -57.828556 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -10.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -168.795402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.795402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.795402 (E_RNA) where: Base-Base interactions energy: -105.769 where: short stacking energy: -52.365 Base-Backbone interact. energy: -0.645 local terms energy: -62.381064 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -16.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -89.299097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.299097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.299097 (E_RNA) where: Base-Base interactions energy: -43.136 where: short stacking energy: -33.026 Base-Backbone interact. energy: -0.399 local terms energy: -45.763395 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -0.577 tors. eta vs tors. theta energy: -6.627 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: 31 Temperature: 1.250000 Total energy: -83.880945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.880945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.880945 (E_RNA) where: Base-Base interactions energy: -40.555 where: short stacking energy: -37.496 Base-Backbone interact. energy: -0.027 local terms energy: -43.299557 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -10.444 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -5.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -87.525014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.525014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.525014 (E_RNA) where: Base-Base interactions energy: -37.016 where: short stacking energy: -35.031 Base-Backbone interact. energy: 0.531 local terms energy: -51.039969 where: bonds (distance) C4'-P energy: -7.624 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -3.868 tors. eta vs tors. theta energy: -11.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -74.597649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.597649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.597649 (E_RNA) where: Base-Base interactions energy: -29.678 where: short stacking energy: -20.288 Base-Backbone interact. energy: -0.150 local terms energy: -44.769846 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: 2.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -224.949817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.949817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.949817 (E_RNA) where: Base-Base interactions energy: -153.240 where: short stacking energy: -69.775 Base-Backbone interact. energy: -0.010 local terms energy: -71.699716 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -20.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -221.474212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.474212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.474212 (E_RNA) where: Base-Base interactions energy: -147.981 where: short stacking energy: -57.887 Base-Backbone interact. energy: -0.066 local terms energy: -73.427198 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -18.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -212.762173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.762173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.762173 (E_RNA) where: Base-Base interactions energy: -145.017 where: short stacking energy: -62.034 Base-Backbone interact. energy: -0.008 local terms energy: -67.738033 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -12.092 flat angles P-C4'-P energy: -10.787 tors. eta vs tors. theta energy: -15.082 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: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -190.354374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.354374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.354374 (E_RNA) where: Base-Base interactions energy: -124.638 where: short stacking energy: -61.560 Base-Backbone interact. energy: -0.477 local terms energy: -65.239873 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -149.412732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.412732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.412732 (E_RNA) where: Base-Base interactions energy: -81.662 where: short stacking energy: -39.063 Base-Backbone interact. energy: -0.067 local terms energy: -67.684197 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -13.054 flat angles C4'-P-C4' energy: -17.472 flat angles P-C4'-P energy: -12.433 tors. eta vs tors. theta energy: -9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -167.566643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.566643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.566643 (E_RNA) where: Base-Base interactions energy: -104.361 where: short stacking energy: -47.311 Base-Backbone interact. energy: -0.343 local terms energy: -62.862804 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -11.507 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: 10 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -86.384657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.384657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.384657 (E_RNA) where: Base-Base interactions energy: -42.885 where: short stacking energy: -34.874 Base-Backbone interact. energy: 0.748 local terms energy: -44.248098 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -4.600 tors. eta vs tors. theta energy: -5.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -79.867029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.867029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.867029 (E_RNA) where: Base-Base interactions energy: -34.856 where: short stacking energy: -34.343 Base-Backbone interact. energy: -0.075 local terms energy: -44.935523 where: bonds (distance) C4'-P energy: -11.052 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -2.510 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -75.181365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.181365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.181365 (E_RNA) where: Base-Base interactions energy: -26.690 where: short stacking energy: -18.626 Base-Backbone interact. energy: -0.095 local terms energy: -48.396542 where: bonds (distance) C4'-P energy: -10.280 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -3.151 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: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -80.292296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.292296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.292296 (E_RNA) where: Base-Base interactions energy: -40.545 where: short stacking energy: -24.405 Base-Backbone interact. energy: 0.031 local terms energy: -39.777925 where: bonds (distance) C4'-P energy: -8.130 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -218.281947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.281947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.281947 (E_RNA) where: Base-Base interactions energy: -146.188 where: short stacking energy: -63.290 Base-Backbone interact. energy: -0.001 local terms energy: -72.092891 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -16.588 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -17.340 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: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -219.991558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.991558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.991558 (E_RNA) where: Base-Base interactions energy: -145.915 where: short stacking energy: -58.397 Base-Backbone interact. energy: -0.130 local terms energy: -73.946391 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -16.681 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -204.954144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.954144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.954144 (E_RNA) where: Base-Base interactions energy: -143.748 where: short stacking energy: -54.991 Base-Backbone interact. energy: 0.509 local terms energy: -61.714774 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -12.311 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -13.673 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: 4, replica: 6 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -152.120179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.120179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.120179 (E_RNA) where: Base-Base interactions energy: -92.796 where: short stacking energy: -41.967 Base-Backbone interact. energy: -0.134 local terms energy: -59.190175 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -12.889 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: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -183.830002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.830002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.830002 (E_RNA) where: Base-Base interactions energy: -122.547 where: short stacking energy: -47.645 Base-Backbone interact. energy: -0.178 local terms energy: -61.104400 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -12.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -164.270265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.270265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.270265 (E_RNA) where: Base-Base interactions energy: -105.148 where: short stacking energy: -39.430 Base-Backbone interact. energy: 0.694 local terms energy: -59.816572 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -13.806 flat angles C4'-P-C4' energy: -10.216 flat angles P-C4'-P energy: -8.279 tors. eta vs tors. theta energy: -12.108 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: 33 Temperature: 1.200000 Total energy: -83.287366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.287366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.287366 (E_RNA) where: Base-Base interactions energy: -29.030 where: short stacking energy: -27.545 Base-Backbone interact. energy: -0.158 local terms energy: -54.099506 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -8.339 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: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -88.321935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.321935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.321935 (E_RNA) where: Base-Base interactions energy: -41.171 where: short stacking energy: -31.007 Base-Backbone interact. energy: 1.065 local terms energy: -48.216189 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -9.004 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -3.804 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: 8 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -73.939579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.939579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.939579 (E_RNA) where: Base-Base interactions energy: -35.071 where: short stacking energy: -20.861 Base-Backbone interact. energy: -0.435 local terms energy: -38.434118 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -11.078 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -75.577067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.577067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.577067 (E_RNA) where: Base-Base interactions energy: -29.603 where: short stacking energy: -18.926 Base-Backbone interact. energy: -0.690 local terms energy: -45.283869 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -8.348 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -2.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -227.280116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.280116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.280116 (E_RNA) where: Base-Base interactions energy: -158.453 where: short stacking energy: -60.379 Base-Backbone interact. energy: 1.039 local terms energy: -69.865652 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -16.302 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -15.166 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: 2, replica: 3 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -221.083887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.083887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.083887 (E_RNA) where: Base-Base interactions energy: -149.554 where: short stacking energy: -67.464 Base-Backbone interact. energy: 1.396 local terms energy: -72.926623 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -11.680 flat angles P-C4'-P energy: -11.521 tors. eta vs tors. theta energy: -19.750 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: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -212.756645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.756645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.756645 (E_RNA) where: Base-Base interactions energy: -145.685 where: short stacking energy: -62.173 Base-Backbone interact. energy: -0.019 local terms energy: -67.052636 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -14.873 flat angles C4'-P-C4' energy: -11.541 flat angles P-C4'-P energy: -11.308 tors. eta vs tors. theta energy: -16.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -153.562728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.562728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.562728 (E_RNA) where: Base-Base interactions energy: -88.423 where: short stacking energy: -49.412 Base-Backbone interact. energy: -0.105 local terms energy: -65.034572 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -13.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -183.468175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.468175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.468175 (E_RNA) where: Base-Base interactions energy: -115.817 where: short stacking energy: -49.250 Base-Backbone interact. energy: -0.779 local terms energy: -66.872343 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -14.309 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: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -157.980767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.980767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.980767 (E_RNA) where: Base-Base interactions energy: -101.314 where: short stacking energy: -48.735 Base-Backbone interact. energy: -0.154 local terms energy: -56.511836 where: bonds (distance) C4'-P energy: -9.923 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -15.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -79.083940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.083940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.083940 (E_RNA) where: Base-Base interactions energy: -25.051 where: short stacking energy: -24.795 Base-Backbone interact. energy: -0.114 local terms energy: -53.919257 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -79.787215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.787215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.787215 (E_RNA) where: Base-Base interactions energy: -39.911 where: short stacking energy: -25.931 Base-Backbone interact. energy: 0.222 local terms energy: -40.098453 where: bonds (distance) C4'-P energy: -7.499 bonds (distance) P-C4' energy: -15.165 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -78.150448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.150448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.150448 (E_RNA) where: Base-Base interactions energy: -29.209 where: short stacking energy: -17.901 Base-Backbone interact. energy: -0.167 local terms energy: -48.774660 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -7.729 tors. eta vs tors. theta energy: 1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -68.118783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.118783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.118783 (E_RNA) where: Base-Base interactions energy: -25.017 where: short stacking energy: -16.374 Base-Backbone interact. energy: 1.243 local terms energy: -44.344839 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -11.644 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -1.037 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: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -226.072379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.072379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.072379 (E_RNA) where: Base-Base interactions energy: -148.974 where: short stacking energy: -68.127 Base-Backbone interact. energy: -0.002 local terms energy: -77.096117 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -20.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -208.133457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.133457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.133457 (E_RNA) where: Base-Base interactions energy: -134.813 where: short stacking energy: -58.905 Base-Backbone interact. energy: -0.007 local terms energy: -73.313499 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -16.335 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: 3 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -212.002535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.002535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.002535 (E_RNA) where: Base-Base interactions energy: -139.544 where: short stacking energy: -59.669 Base-Backbone interact. energy: -0.635 local terms energy: -71.823457 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -19.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -184.963173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.963173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.963173 (E_RNA) where: Base-Base interactions energy: -121.948 where: short stacking energy: -52.282 Base-Backbone interact. energy: -0.060 local terms energy: -62.954762 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -16.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -150.030032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.030032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.030032 (E_RNA) where: Base-Base interactions energy: -85.918 where: short stacking energy: -40.656 Base-Backbone interact. energy: -0.893 local terms energy: -63.219300 where: bonds (distance) C4'-P energy: -15.159 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -14.009 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -10.917 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: 6, replica: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -168.201007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.201007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.201007 (E_RNA) where: Base-Base interactions energy: -104.754 where: short stacking energy: -44.563 Base-Backbone interact. energy: -0.390 local terms energy: -63.057344 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -16.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -82.733333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.733333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.733333 (E_RNA) where: Base-Base interactions energy: -31.808 where: short stacking energy: -31.808 Base-Backbone interact. energy: -0.154 local terms energy: -50.771612 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -82.963775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.963775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.963775 (E_RNA) where: Base-Base interactions energy: -34.613 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.006 local terms energy: -48.345466 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -10.915 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -4.018 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: 35 Temperature: 1.300000 Total energy: -76.979404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.979404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.979404 (E_RNA) where: Base-Base interactions energy: -22.823 where: short stacking energy: -22.823 Base-Backbone interact. energy: -0.058 local terms energy: -54.098477 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -72.328133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.328133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.328133 (E_RNA) where: Base-Base interactions energy: -29.536 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.049 local terms energy: -42.742606 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -11.125 flat angles C4'-P-C4' energy: -10.104 flat angles P-C4'-P energy: -13.101 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -220.984612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.984612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.984612 (E_RNA) where: Base-Base interactions energy: -142.528 where: short stacking energy: -64.427 Base-Backbone interact. energy: -0.083 local terms energy: -78.373921 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -17.541 flat angles C4'-P-C4' energy: -17.792 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -220.679806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.679806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.679806 (E_RNA) where: Base-Base interactions energy: -141.049 where: short stacking energy: -62.369 Base-Backbone interact. energy: -1.435 local terms energy: -78.196702 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -16.090 flat angles P-C4'-P energy: -12.516 tors. eta vs tors. theta energy: -19.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -204.912586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.912586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.912586 (E_RNA) where: Base-Base interactions energy: -138.859 where: short stacking energy: -61.435 Base-Backbone interact. energy: -0.688 local terms energy: -65.365184 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -18.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -173.391168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.391168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.391168 (E_RNA) where: Base-Base interactions energy: -109.510 where: short stacking energy: -43.464 Base-Backbone interact. energy: -0.022 local terms energy: -63.858692 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -12.338 tors. eta vs tors. theta energy: -14.441 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: 36 Temperature: 1.100000 Total energy: -175.357657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.357657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.357657 (E_RNA) where: Base-Base interactions energy: -115.069 where: short stacking energy: -44.702 Base-Backbone interact. energy: 0.213 local terms energy: -60.501249 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -9.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -172.417722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.417722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.417722 (E_RNA) where: Base-Base interactions energy: -108.858 where: short stacking energy: -52.507 Base-Backbone interact. energy: -0.095 local terms energy: -63.465327 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -5.706 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: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -83.233290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.233290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.233290 (E_RNA) where: Base-Base interactions energy: -34.207 where: short stacking energy: -30.971 Base-Backbone interact. energy: 0.803 local terms energy: -49.829439 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -0.022 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: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -90.021882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.021882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.021882 (E_RNA) where: Base-Base interactions energy: -40.488 where: short stacking energy: -28.084 Base-Backbone interact. energy: -1.447 local terms energy: -48.086913 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -5.533 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: 8 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -80.209448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.209448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.209448 (E_RNA) where: Base-Base interactions energy: -29.707 where: short stacking energy: -29.174 Base-Backbone interact. energy: -0.073 local terms energy: -50.429477 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -15.979 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -3.607 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: 36 Temperature: 1.350000 Total energy: -90.209843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.209843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.209843 (E_RNA) where: Base-Base interactions energy: -37.314 where: short stacking energy: -30.649 Base-Backbone interact. energy: -0.160 local terms energy: -52.736331 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -8.073 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -212.370823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.370823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.370823 (E_RNA) where: Base-Base interactions energy: -137.889 where: short stacking energy: -62.778 Base-Backbone interact. energy: -0.631 local terms energy: -73.850080 where: bonds (distance) C4'-P energy: -11.468 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -12.079 tors. eta vs tors. theta energy: -19.658 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: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -215.470804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.470804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.470804 (E_RNA) where: Base-Base interactions energy: -145.879 where: short stacking energy: -62.769 Base-Backbone interact. energy: -0.588 local terms energy: -69.003760 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -10.318 flat angles C4'-P-C4' energy: -18.260 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -202.628000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.628000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.628000 (E_RNA) where: Base-Base interactions energy: -129.397 where: short stacking energy: -59.901 Base-Backbone interact. energy: -0.170 local terms energy: -73.061056 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -17.178 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: 37 Temperature: 1.050000 Total energy: -192.892773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.892773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.892773 (E_RNA) where: Base-Base interactions energy: -125.340 where: short stacking energy: -51.843 Base-Backbone interact. energy: -0.084 local terms energy: -67.468430 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -9.762 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -18.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -176.169351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.169351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.169351 (E_RNA) where: Base-Base interactions energy: -115.560 where: short stacking energy: -36.821 Base-Backbone interact. energy: -0.966 local terms energy: -59.643655 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -11.080 flat angles P-C4'-P energy: -11.249 tors. eta vs tors. theta energy: -11.303 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: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -144.606369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.606369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.606369 (E_RNA) where: Base-Base interactions energy: -80.415 where: short stacking energy: -45.528 Base-Backbone interact. energy: -0.310 local terms energy: -63.881708 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -16.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -103.723295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.723295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.723295 (E_RNA) where: Base-Base interactions energy: -59.078 where: short stacking energy: -28.421 Base-Backbone interact. energy: -0.138 local terms energy: -44.506652 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -5.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -82.452405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.452405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.452405 (E_RNA) where: Base-Base interactions energy: -27.913 where: short stacking energy: -23.110 Base-Backbone interact. energy: -0.096 local terms energy: -54.443778 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -116.715554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.715554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.715554 (E_RNA) where: Base-Base interactions energy: -65.092 where: short stacking energy: -31.790 Base-Backbone interact. energy: -0.112 local terms energy: -51.511486 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -76.882643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.882643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.882643 (E_RNA) where: Base-Base interactions energy: -17.944 where: short stacking energy: -17.944 Base-Backbone interact. energy: -0.144 local terms energy: -58.794828 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -15.171 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -219.529974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.529974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.529974 (E_RNA) where: Base-Base interactions energy: -146.885 where: short stacking energy: -62.764 Base-Backbone interact. energy: -0.020 local terms energy: -72.625208 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -18.540 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -18.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -216.106877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.106877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.106877 (E_RNA) where: Base-Base interactions energy: -145.005 where: short stacking energy: -66.099 Base-Backbone interact. energy: -0.022 local terms energy: -71.080517 where: bonds (distance) C4'-P energy: -12.249 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -18.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -196.224070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.224070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.224070 (E_RNA) where: Base-Base interactions energy: -129.375 where: short stacking energy: -50.982 Base-Backbone interact. energy: -0.063 local terms energy: -66.786182 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -17.290 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -10.042 tors. eta vs tors. theta energy: -11.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -204.555516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.555516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.555516 (E_RNA) where: Base-Base interactions energy: -133.272 where: short stacking energy: -57.034 Base-Backbone interact. energy: -0.033 local terms energy: -71.250266 where: bonds (distance) C4'-P energy: -10.095 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -17.149 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -18.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -152.296700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.296700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.296700 (E_RNA) where: Base-Base interactions energy: -91.589 where: short stacking energy: -45.321 Base-Backbone interact. energy: -0.960 local terms energy: -59.747757 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -12.805 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: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -156.980101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.980101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.980101 (E_RNA) where: Base-Base interactions energy: -92.116 where: short stacking energy: -39.967 Base-Backbone interact. energy: -0.240 local terms energy: -64.624323 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -11.306 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: 7, replica: 8 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -83.684041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.684041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.684041 (E_RNA) where: Base-Base interactions energy: -27.526 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.009 local terms energy: -56.148172 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -7.064 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: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -78.630752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.630752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.630752 (E_RNA) where: Base-Base interactions energy: -34.004 where: short stacking energy: -20.254 Base-Backbone interact. energy: -0.170 local terms energy: -44.457026 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -12.502 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: 5.048 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: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -93.413285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.413285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.413285 (E_RNA) where: Base-Base interactions energy: -43.270 where: short stacking energy: -25.759 Base-Backbone interact. energy: 0.957 local terms energy: -51.100431 where: bonds (distance) C4'-P energy: -13.975 bonds (distance) P-C4' energy: -12.243 flat angles C4'-P-C4' energy: -10.666 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -70.123183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.123183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.123183 (E_RNA) where: Base-Base interactions energy: -20.383 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.335 local terms energy: -49.405305 where: bonds (distance) C4'-P energy: -12.762 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -10.764 flat angles P-C4'-P energy: -12.282 tors. eta vs tors. theta energy: 0.717 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: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -225.955595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.955595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.955595 (E_RNA) where: Base-Base interactions energy: -148.706 where: short stacking energy: -68.594 Base-Backbone interact. energy: -0.007 local terms energy: -77.242073 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -16.217 flat angles P-C4'-P energy: -12.845 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -213.087890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.087890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.087890 (E_RNA) where: Base-Base interactions energy: -137.803 where: short stacking energy: -62.027 Base-Backbone interact. energy: -0.412 local terms energy: -74.872360 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -19.201 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -196.694442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.694442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.694442 (E_RNA) where: Base-Base interactions energy: -129.178 where: short stacking energy: -57.151 Base-Backbone interact. energy: -0.511 local terms energy: -67.005546 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -15.687 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: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -201.038108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.038108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.038108 (E_RNA) where: Base-Base interactions energy: -128.138 where: short stacking energy: -56.184 Base-Backbone interact. energy: -1.522 local terms energy: -71.377858 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -19.599 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: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -165.551639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.551639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.551639 (E_RNA) where: Base-Base interactions energy: -102.111 where: short stacking energy: -46.263 Base-Backbone interact. energy: -0.488 local terms energy: -62.952511 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -145.773641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.773641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.773641 (E_RNA) where: Base-Base interactions energy: -86.253 where: short stacking energy: -42.503 Base-Backbone interact. energy: -0.039 local terms energy: -59.481411 where: bonds (distance) C4'-P energy: -12.005 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -11.545 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: 8 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -85.793231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.793231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.793231 (E_RNA) where: Base-Base interactions energy: -35.936 where: short stacking energy: -29.041 Base-Backbone interact. energy: -0.096 local terms energy: -49.760351 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -15.918 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -4.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -84.756668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.756668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.756668 (E_RNA) where: Base-Base interactions energy: -33.142 where: short stacking energy: -27.526 Base-Backbone interact. energy: -0.489 local terms energy: -51.125682 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -72.638983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.638983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.638983 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -25.069 Base-Backbone interact. energy: -0.043 local terms energy: -47.526147 where: bonds (distance) C4'-P energy: -10.353 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -11.818 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -0.688 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: 39 Temperature: 1.350000 Total energy: -66.195568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.195568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.195568 (E_RNA) where: Base-Base interactions energy: -26.500 where: short stacking energy: -13.338 Base-Backbone interact. energy: 0.427 local terms energy: -40.122748 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: 2.439 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: 2 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -223.962937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.962937 (E_RNA) where: Base-Base interactions energy: -144.496 where: short stacking energy: -69.821 Base-Backbone interact. energy: -1.723 local terms energy: -77.743248 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -14.566 flat angles C4'-P-C4' energy: -16.255 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -22.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -216.528477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.528477 (E_RNA) where: Base-Base interactions energy: -139.793 where: short stacking energy: -69.801 Base-Backbone interact. energy: -0.797 local terms energy: -75.938612 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -22.272 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: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -205.258998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.258998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.258998 (E_RNA) where: Base-Base interactions energy: -134.245 where: short stacking energy: -59.735 Base-Backbone interact. energy: -0.018 local terms energy: -70.995950 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -16.884 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -18.469 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -210.946062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.946062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.946062 (E_RNA) where: Base-Base interactions energy: -132.530 where: short stacking energy: -61.259 Base-Backbone interact. energy: -1.647 local terms energy: -76.769010 where: bonds (distance) C4'-P energy: -16.980 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -20.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -170.561134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.561134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.561134 (E_RNA) where: Base-Base interactions energy: -111.975 where: short stacking energy: -42.628 Base-Backbone interact. energy: -0.181 local terms energy: -58.405091 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -8.998 tors. eta vs tors. theta energy: -15.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -140.648983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.648983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.648983 (E_RNA) where: Base-Base interactions energy: -88.134 where: short stacking energy: -36.717 Base-Backbone interact. energy: -0.198 local terms energy: -52.316831 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -8.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -92.791900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.791900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.791900 (E_RNA) where: Base-Base interactions energy: -30.341 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.110 local terms energy: -62.341139 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -16.486 flat angles P-C4'-P energy: -13.227 tors. eta vs tors. theta energy: -5.275 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: 8 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -81.752162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.752162 (E_RNA) where: Base-Base interactions energy: -30.996 where: short stacking energy: -20.480 Base-Backbone interact. energy: -0.134 local terms energy: -50.622788 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -11.698 tors. eta vs tors. theta energy: -2.117 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: 9, replica: 10 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -72.678158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.678158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.678158 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.679 local terms energy: -48.397426 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -8.881 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: 10, replica: 4 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -75.892356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.892356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.892356 (E_RNA) where: Base-Base interactions energy: -27.395 where: short stacking energy: -27.395 Base-Backbone interact. energy: -0.235 local terms energy: -48.262191 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.307 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: 1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -209.992843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.992843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.992843 (E_RNA) where: Base-Base interactions energy: -136.362 where: short stacking energy: -64.476 Base-Backbone interact. energy: -2.548 local terms energy: -71.083107 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -19.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -214.799090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.799090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.799090 (E_RNA) where: Base-Base interactions energy: -140.753 where: short stacking energy: -68.249 Base-Backbone interact. energy: -2.716 local terms energy: -71.329986 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -15.751 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -19.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -205.348214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.348214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.348214 (E_RNA) where: Base-Base interactions energy: -140.071 where: short stacking energy: -62.481 Base-Backbone interact. energy: 0.048 local terms energy: -65.324488 where: bonds (distance) C4'-P energy: -8.615 bonds (distance) P-C4' energy: -15.205 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -11.700 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -174.693505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.693505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.693505 (E_RNA) where: Base-Base interactions energy: -114.696 where: short stacking energy: -56.237 Base-Backbone interact. energy: -0.022 local terms energy: -59.975684 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -10.196 flat angles C4'-P-C4' energy: -15.787 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -11.746 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: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -201.188068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.188068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.188068 (E_RNA) where: Base-Base interactions energy: -124.787 where: short stacking energy: -59.352 Base-Backbone interact. energy: -0.660 local terms energy: -75.741646 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -15.855 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -17.751 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: 7 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -140.813661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.813661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.813661 (E_RNA) where: Base-Base interactions energy: -85.785 where: short stacking energy: -44.239 Base-Backbone interact. energy: -0.102 local terms energy: -54.927126 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -8.670 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -7.530 tors. eta vs tors. theta energy: -10.016 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: 9 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -84.319685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.319685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.319685 (E_RNA) where: Base-Base interactions energy: -29.714 where: short stacking energy: -24.734 Base-Backbone interact. energy: -0.176 local terms energy: -54.429990 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -76.226992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.226992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.226992 (E_RNA) where: Base-Base interactions energy: -41.560 where: short stacking energy: -21.022 Base-Backbone interact. energy: 0.392 local terms energy: -35.058951 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -12.044 flat angles C4'-P-C4' energy: -3.281 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -79.053271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.053271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.053271 (E_RNA) where: Base-Base interactions energy: -23.027 where: short stacking energy: -18.625 Base-Backbone interact. energy: -0.171 local terms energy: -55.855679 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -16.992 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -83.913948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.913948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.913948 (E_RNA) where: Base-Base interactions energy: -38.319 where: short stacking energy: -22.815 Base-Backbone interact. energy: -0.216 local terms energy: -45.378382 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -11.364 flat angles P-C4'-P energy: -8.977 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: 1 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -218.254894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.254894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.254894 (E_RNA) where: Base-Base interactions energy: -138.264 where: short stacking energy: -69.873 Base-Backbone interact. energy: -0.312 local terms energy: -79.678521 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -16.441 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -22.862 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: 2 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -216.256405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.256405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.256405 (E_RNA) where: Base-Base interactions energy: -141.680 where: short stacking energy: -70.621 Base-Backbone interact. energy: -0.000 local terms energy: -74.575778 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -19.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -198.387974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.387974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.387974 (E_RNA) where: Base-Base interactions energy: -133.497 where: short stacking energy: -55.507 Base-Backbone interact. energy: 1.982 local terms energy: -66.873419 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -15.554 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: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -171.553894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.553894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.553894 (E_RNA) where: Base-Base interactions energy: -103.939 where: short stacking energy: -57.471 Base-Backbone interact. energy: 0.897 local terms energy: -68.512444 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -16.505 flat angles P-C4'-P energy: -10.101 tors. eta vs tors. theta energy: -14.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -213.670023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.670023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.670023 (E_RNA) where: Base-Base interactions energy: -143.950 where: short stacking energy: -63.950 Base-Backbone interact. energy: -0.007 local terms energy: -69.713339 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -20.654 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: 6, replica: 7 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -148.147965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.147965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.147965 (E_RNA) where: Base-Base interactions energy: -82.755 where: short stacking energy: -50.717 Base-Backbone interact. energy: -0.156 local terms energy: -65.237287 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -12.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -92.345660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.345660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.345660 (E_RNA) where: Base-Base interactions energy: -49.644 where: short stacking energy: -29.451 Base-Backbone interact. energy: -0.105 local terms energy: -42.595881 where: bonds (distance) C4'-P energy: -15.047 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -9.264 flat angles P-C4'-P energy: -2.014 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -82.787844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.787844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.787844 (E_RNA) where: Base-Base interactions energy: -24.304 where: short stacking energy: -17.799 Base-Backbone interact. energy: -0.968 local terms energy: -57.515846 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -11.384 flat angles P-C4'-P energy: -11.630 tors. eta vs tors. theta energy: -4.530 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: 4 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -86.242778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.242778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.242778 (E_RNA) where: Base-Base interactions energy: -30.782 where: short stacking energy: -30.430 Base-Backbone interact. energy: -0.099 local terms energy: -55.361210 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -12.453 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -5.749 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: 10, replica: 8 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -97.939167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.939167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.939167 (E_RNA) where: Base-Base interactions energy: -57.690 where: short stacking energy: -24.389 Base-Backbone interact. energy: -0.261 local terms energy: -39.988565 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -10.390 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -222.694601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.694601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.694601 (E_RNA) where: Base-Base interactions energy: -141.320 where: short stacking energy: -68.879 Base-Backbone interact. energy: -0.413 local terms energy: -80.961440 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -10.342 tors. eta vs tors. theta energy: -22.906 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: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -213.083883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.083883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.083883 (E_RNA) where: Base-Base interactions energy: -136.066 where: short stacking energy: -64.911 Base-Backbone interact. energy: -1.527 local terms energy: -75.490972 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -13.217 tors. eta vs tors. theta energy: -20.845 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: 6 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -203.629942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.629942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.629942 (E_RNA) where: Base-Base interactions energy: -136.391 where: short stacking energy: -52.027 Base-Backbone interact. energy: 0.294 local terms energy: -67.532873 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -8.612 tors. eta vs tors. theta energy: -14.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -212.138529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.138529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.138529 (E_RNA) where: Base-Base interactions energy: -142.444 where: short stacking energy: -63.696 Base-Backbone interact. energy: -0.028 local terms energy: -69.666867 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -182.183921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.183921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.183921 (E_RNA) where: Base-Base interactions energy: -112.360 where: short stacking energy: -54.586 Base-Backbone interact. energy: -0.008 local terms energy: -69.816045 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -9.794 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -17.905 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: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -115.144331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.144331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.144331 (E_RNA) where: Base-Base interactions energy: -65.621 where: short stacking energy: -31.707 Base-Backbone interact. energy: -0.185 local terms energy: -49.338405 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -9.303 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -137.418984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.418984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.418984 (E_RNA) where: Base-Base interactions energy: -81.798 where: short stacking energy: -49.638 Base-Backbone interact. energy: 1.570 local terms energy: -57.191304 where: bonds (distance) C4'-P energy: -7.904 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -9.768 tors. eta vs tors. theta energy: -11.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -84.158406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.158406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.158406 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -30.497 Base-Backbone interact. energy: -0.074 local terms energy: -52.051696 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -8.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -79.314315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.314315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.314315 (E_RNA) where: Base-Base interactions energy: -31.859 where: short stacking energy: -27.681 Base-Backbone interact. energy: -0.008 local terms energy: -47.447557 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -1.853 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: 8 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -72.972075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.972075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.972075 (E_RNA) where: Base-Base interactions energy: -26.082 where: short stacking energy: -21.766 Base-Backbone interact. energy: -0.164 local terms energy: -46.726068 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -16.561 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -218.107932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.107932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.107932 (E_RNA) where: Base-Base interactions energy: -147.801 where: short stacking energy: -64.099 Base-Backbone interact. energy: -2.582 local terms energy: -67.725300 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -10.499 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -10.805 tors. eta vs tors. theta energy: -17.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -214.148191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.148191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.148191 (E_RNA) where: Base-Base interactions energy: -143.407 where: short stacking energy: -63.672 Base-Backbone interact. energy: -0.296 local terms energy: -70.445334 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -18.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -211.907273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.907273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.907273 (E_RNA) where: Base-Base interactions energy: -145.367 where: short stacking energy: -58.380 Base-Backbone interact. energy: -0.178 local terms energy: -66.362096 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -16.196 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -14.789 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: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -195.889343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.889343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.889343 (E_RNA) where: Base-Base interactions energy: -123.473 where: short stacking energy: -53.968 Base-Backbone interact. energy: 0.069 local terms energy: -72.485012 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -16.247 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -16.699 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: 9 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -136.143362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.143362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.143362 (E_RNA) where: Base-Base interactions energy: -76.209 where: short stacking energy: -47.796 Base-Backbone interact. energy: -0.674 local terms energy: -59.259802 where: bonds (distance) C4'-P energy: -9.297 bonds (distance) P-C4' energy: -15.966 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -12.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -163.368855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.368855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.368855 (E_RNA) where: Base-Base interactions energy: -94.464 where: short stacking energy: -50.590 Base-Backbone interact. energy: -0.039 local terms energy: -68.866695 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -17.559 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -144.129393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.129393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.129393 (E_RNA) where: Base-Base interactions energy: -80.538 where: short stacking energy: -41.384 Base-Backbone interact. energy: -0.012 local terms energy: -63.579707 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -14.923 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -12.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -80.236156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.236156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.236156 (E_RNA) where: Base-Base interactions energy: -29.093 where: short stacking energy: -21.736 Base-Backbone interact. energy: -0.259 local terms energy: -50.884041 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -81.770618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.770618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.770618 (E_RNA) where: Base-Base interactions energy: -30.853 where: short stacking energy: -30.770 Base-Backbone interact. energy: -0.187 local terms energy: -50.730393 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -9.389 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -3.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -70.802325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.802325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.802325 (E_RNA) where: Base-Base interactions energy: -18.362 where: short stacking energy: -18.362 Base-Backbone interact. energy: -0.000 local terms energy: -52.440262 where: bonds (distance) C4'-P energy: -16.047 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -223.070107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.070107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.070107 (E_RNA) where: Base-Base interactions energy: -152.942 where: short stacking energy: -68.647 Base-Backbone interact. energy: 0.271 local terms energy: -70.399946 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -9.027 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -12.167 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -219.802235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.802235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.802235 (E_RNA) where: Base-Base interactions energy: -148.761 where: short stacking energy: -53.648 Base-Backbone interact. energy: 0.103 local terms energy: -71.144251 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -16.362 flat angles P-C4'-P energy: -13.384 tors. eta vs tors. theta energy: -15.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -216.687201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.687201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.687201 (E_RNA) where: Base-Base interactions energy: -146.496 where: short stacking energy: -66.901 Base-Backbone interact. energy: -0.002 local terms energy: -70.189707 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -14.432 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -19.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -186.682420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.682420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.682420 (E_RNA) where: Base-Base interactions energy: -120.943 where: short stacking energy: -53.525 Base-Backbone interact. energy: -0.098 local terms energy: -65.641723 where: bonds (distance) C4'-P energy: -8.585 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -16.259 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -16.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -134.503301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.503301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.503301 (E_RNA) where: Base-Base interactions energy: -78.454 where: short stacking energy: -45.899 Base-Backbone interact. energy: -0.034 local terms energy: -56.015667 where: bonds (distance) C4'-P energy: -8.057 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -10.658 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -16.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -157.854720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.854720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.854720 (E_RNA) where: Base-Base interactions energy: -97.930 where: short stacking energy: -50.998 Base-Backbone interact. energy: -0.230 local terms energy: -59.694493 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -10.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -152.669881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.669881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.669881 (E_RNA) where: Base-Base interactions energy: -92.292 where: short stacking energy: -37.824 Base-Backbone interact. energy: -0.101 local terms energy: -60.277043 where: bonds (distance) C4'-P energy: -15.992 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -12.529 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -87.847915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.847915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.847915 (E_RNA) where: Base-Base interactions energy: -36.695 where: short stacking energy: -23.355 Base-Backbone interact. energy: -0.334 local terms energy: -50.818749 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -69.813888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.813888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.813888 (E_RNA) where: Base-Base interactions energy: -20.815 where: short stacking energy: -16.027 Base-Backbone interact. energy: -0.099 local terms energy: -48.899653 where: bonds (distance) C4'-P energy: -15.647 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -14.968 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -0.959 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: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -76.833166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.833166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.833166 (E_RNA) where: Base-Base interactions energy: -28.486 where: short stacking energy: -20.937 Base-Backbone interact. energy: -0.301 local terms energy: -48.046247 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -11.950 flat angles C4'-P-C4' energy: -10.951 flat angles P-C4'-P energy: -8.627 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -222.205981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.205981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.205981 (E_RNA) where: Base-Base interactions energy: -152.724 where: short stacking energy: -54.474 Base-Backbone interact. energy: -0.275 local terms energy: -69.206856 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -13.448 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -18.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -215.989168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.989168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.989168 (E_RNA) where: Base-Base interactions energy: -147.316 where: short stacking energy: -69.709 Base-Backbone interact. energy: -0.041 local terms energy: -68.632000 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -13.164 flat angles P-C4'-P energy: -11.764 tors. eta vs tors. theta energy: -18.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -218.493365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.493365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.493365 (E_RNA) where: Base-Base interactions energy: -149.214 where: short stacking energy: -72.126 Base-Backbone interact. energy: -0.004 local terms energy: -69.275871 where: bonds (distance) C4'-P energy: -13.656 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -18.982 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -199.063912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.063912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.063912 (E_RNA) where: Base-Base interactions energy: -130.044 where: short stacking energy: -52.478 Base-Backbone interact. energy: -0.204 local terms energy: -68.815893 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -12.127 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -20.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -178.133423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.133423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.133423 (E_RNA) where: Base-Base interactions energy: -124.576 where: short stacking energy: -48.582 Base-Backbone interact. energy: -0.271 local terms energy: -53.286155 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -123.485777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.485777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.485777 (E_RNA) where: Base-Base interactions energy: -68.396 where: short stacking energy: -39.167 Base-Backbone interact. energy: -0.071 local terms energy: -55.018658 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -14.960 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -144.413726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.413726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.413726 (E_RNA) where: Base-Base interactions energy: -86.673 where: short stacking energy: -42.801 Base-Backbone interact. energy: 0.196 local terms energy: -57.936983 where: bonds (distance) C4'-P energy: -9.139 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -104.738043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.738043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.738043 (E_RNA) where: Base-Base interactions energy: -59.873 where: short stacking energy: -31.524 Base-Backbone interact. energy: -0.973 local terms energy: -43.892518 where: bonds (distance) C4'-P energy: -8.928 bonds (distance) P-C4' energy: -12.478 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -71.926767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.926767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.926767 (E_RNA) where: Base-Base interactions energy: -30.102 where: short stacking energy: -23.509 Base-Backbone interact. energy: -0.108 local terms energy: -41.716331 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -5.881 tors. eta vs tors. theta energy: 1.834 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: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -78.134701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.134701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.134701 (E_RNA) where: Base-Base interactions energy: -27.066 where: short stacking energy: -21.278 Base-Backbone interact. energy: -0.125 local terms energy: -50.943647 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -3.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -224.587453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.587453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.587453 (E_RNA) where: Base-Base interactions energy: -158.178 where: short stacking energy: -53.633 Base-Backbone interact. energy: -0.196 local terms energy: -66.213363 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -15.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -217.737884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.737884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.737884 (E_RNA) where: Base-Base interactions energy: -146.510 where: short stacking energy: -64.047 Base-Backbone interact. energy: -0.664 local terms energy: -70.563877 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -15.032 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -208.128198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.128198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.128198 (E_RNA) where: Base-Base interactions energy: -133.396 where: short stacking energy: -59.435 Base-Backbone interact. energy: -0.099 local terms energy: -74.633430 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -17.198 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: -19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -176.700301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.700301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.700301 (E_RNA) where: Base-Base interactions energy: -113.172 where: short stacking energy: -47.000 Base-Backbone interact. energy: -0.167 local terms energy: -63.361006 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -17.545 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -192.998498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.998498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.998498 (E_RNA) where: Base-Base interactions energy: -129.789 where: short stacking energy: -52.685 Base-Backbone interact. energy: -0.201 local terms energy: -63.008909 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -15.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -163.697335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.697335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.697335 (E_RNA) where: Base-Base interactions energy: -103.229 where: short stacking energy: -44.197 Base-Backbone interact. energy: 0.131 local terms energy: -60.599574 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -116.925761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.925761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.925761 (E_RNA) where: Base-Base interactions energy: -55.896 where: short stacking energy: -34.615 Base-Backbone interact. energy: 0.705 local terms energy: -61.734734 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -16.880 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -5.885 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: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -75.398636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.398636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.398636 (E_RNA) where: Base-Base interactions energy: -25.159 where: short stacking energy: -14.879 Base-Backbone interact. energy: -0.595 local terms energy: -49.644595 where: bonds (distance) C4'-P energy: -12.271 bonds (distance) P-C4' energy: -12.333 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -94.338728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.338728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.338728 (E_RNA) where: Base-Base interactions energy: -50.994 where: short stacking energy: -25.340 Base-Backbone interact. energy: -0.119 local terms energy: -43.225965 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -11.230 flat angles C4'-P-C4' energy: -6.757 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -5.729 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: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -73.136255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.136255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.136255 (E_RNA) where: Base-Base interactions energy: -29.332 where: short stacking energy: -24.616 Base-Backbone interact. energy: -0.293 local terms energy: -43.511916 where: bonds (distance) C4'-P energy: -11.645 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -219.386371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.386371 (E_RNA) where: Base-Base interactions energy: -144.697 where: short stacking energy: -62.305 Base-Backbone interact. energy: -0.008 local terms energy: -74.681664 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -16.139 flat angles P-C4'-P energy: -12.138 tors. eta vs tors. theta energy: -15.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -219.337990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.337990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.337990 (E_RNA) where: Base-Base interactions energy: -154.676 where: short stacking energy: -57.520 Base-Backbone interact. energy: -0.288 local terms energy: -64.373949 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -10.756 tors. eta vs tors. theta energy: -16.000 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: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -201.917750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.917750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.917750 (E_RNA) where: Base-Base interactions energy: -134.165 where: short stacking energy: -55.257 Base-Backbone interact. energy: -0.138 local terms energy: -67.614407 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.697 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: 4, replica: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -188.485053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.485053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.485053 (E_RNA) where: Base-Base interactions energy: -124.723 where: short stacking energy: -50.600 Base-Backbone interact. energy: -0.013 local terms energy: -63.748779 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -9.946 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -9.175 tors. eta vs tors. theta energy: -15.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -188.005460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.005460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.005460 (E_RNA) where: Base-Base interactions energy: -116.212 where: short stacking energy: -51.713 Base-Backbone interact. energy: -0.049 local terms energy: -71.744518 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -13.816 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -18.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -166.084815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.084815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.084815 (E_RNA) where: Base-Base interactions energy: -108.054 where: short stacking energy: -44.424 Base-Backbone interact. energy: -0.102 local terms energy: -57.929562 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -12.478 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -11.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -86.840496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.840496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.840496 (E_RNA) where: Base-Base interactions energy: -30.085 where: short stacking energy: -25.916 Base-Backbone interact. energy: -0.645 local terms energy: -56.110321 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -7.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -119.718276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.718276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.718276 (E_RNA) where: Base-Base interactions energy: -70.912 where: short stacking energy: -38.319 Base-Backbone interact. energy: -0.120 local terms energy: -48.686819 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -78.651367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.651367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.651367 (E_RNA) where: Base-Base interactions energy: -28.435 where: short stacking energy: -22.055 Base-Backbone interact. energy: -0.189 local terms energy: -50.027371 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -15.831 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -3.815 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: 10 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -80.056243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.056243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.056243 (E_RNA) where: Base-Base interactions energy: -39.966 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.163 local terms energy: -39.927894 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: 2.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -220.322530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.322530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.322530 (E_RNA) where: Base-Base interactions energy: -143.770 where: short stacking energy: -68.881 Base-Backbone interact. energy: -2.472 local terms energy: -74.080329 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -11.080 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -20.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -223.208882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.208882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.208882 (E_RNA) where: Base-Base interactions energy: -153.372 where: short stacking energy: -59.356 Base-Backbone interact. energy: -0.228 local terms energy: -69.608838 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -16.409 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: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -201.960139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.960139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.960139 (E_RNA) where: Base-Base interactions energy: -133.317 where: short stacking energy: -61.547 Base-Backbone interact. energy: -0.034 local terms energy: -68.609297 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -16.726 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -193.665075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.665075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.665075 (E_RNA) where: Base-Base interactions energy: -125.317 where: short stacking energy: -57.422 Base-Backbone interact. energy: -1.137 local terms energy: -67.210587 where: bonds (distance) C4'-P energy: -10.598 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -18.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -188.088058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.088058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.088058 (E_RNA) where: Base-Base interactions energy: -125.816 where: short stacking energy: -52.139 Base-Backbone interact. energy: 0.250 local terms energy: -62.521412 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -15.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -138.401998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.401998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.401998 (E_RNA) where: Base-Base interactions energy: -78.394 where: short stacking energy: -34.982 Base-Backbone interact. energy: -1.648 local terms energy: -58.360151 where: bonds (distance) C4'-P energy: -15.039 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -10.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -98.283643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.283643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.283643 (E_RNA) where: Base-Base interactions energy: -47.419 where: short stacking energy: -35.906 Base-Backbone interact. energy: -1.421 local terms energy: -49.443559 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -79.000427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.000427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.000427 (E_RNA) where: Base-Base interactions energy: -30.087 where: short stacking energy: -28.085 Base-Backbone interact. energy: -0.003 local terms energy: -48.910356 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -8.167 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: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -83.442144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.442144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.442144 (E_RNA) where: Base-Base interactions energy: -43.779 where: short stacking energy: -28.033 Base-Backbone interact. energy: -0.030 local terms energy: -39.633219 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -14.411 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -74.696121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.696121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.696121 (E_RNA) where: Base-Base interactions energy: -35.264 where: short stacking energy: -24.712 Base-Backbone interact. energy: -0.065 local terms energy: -39.366661 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -1.455 tors. eta vs tors. theta energy: 0.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -231.114670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.114670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.114670 (E_RNA) where: Base-Base interactions energy: -164.012 where: short stacking energy: -58.043 Base-Backbone interact. energy: -0.713 local terms energy: -66.389565 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -17.566 flat angles C4'-P-C4' energy: -14.989 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -13.206 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: 1 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -215.800704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.800704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.800704 (E_RNA) where: Base-Base interactions energy: -137.275 where: short stacking energy: -66.665 Base-Backbone interact. energy: -0.352 local terms energy: -78.173873 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -11.850 tors. eta vs tors. theta energy: -22.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -211.870809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.870809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.870809 (E_RNA) where: Base-Base interactions energy: -138.609 where: short stacking energy: -72.385 Base-Backbone interact. energy: -0.004 local terms energy: -73.257868 where: bonds (distance) C4'-P energy: -9.471 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -14.125 tors. eta vs tors. theta energy: -21.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -194.289908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.289908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.289908 (E_RNA) where: Base-Base interactions energy: -127.218 where: short stacking energy: -57.438 Base-Backbone interact. energy: -0.001 local terms energy: -67.070324 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -9.685 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -10.366 tors. eta vs tors. theta energy: -18.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -157.374159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.374159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.374159 (E_RNA) where: Base-Base interactions energy: -86.080 where: short stacking energy: -39.906 Base-Backbone interact. energy: -0.578 local terms energy: -70.716203 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -11.745 flat angles P-C4'-P energy: -12.571 tors. eta vs tors. theta energy: -17.016 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: 7 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -145.883451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.883451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.883451 (E_RNA) where: Base-Base interactions energy: -87.421 where: short stacking energy: -35.681 Base-Backbone interact. energy: -0.697 local terms energy: -57.764905 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -10.992 flat angles C4'-P-C4' energy: -14.470 flat angles P-C4'-P energy: -11.578 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -88.150849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.150849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.150849 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.036 local terms energy: -60.097822 where: bonds (distance) C4'-P energy: -11.011 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -85.212538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.212538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.212538 (E_RNA) where: Base-Base interactions energy: -32.180 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.049 local terms energy: -52.982944 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -76.572066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.572066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.572066 (E_RNA) where: Base-Base interactions energy: -33.086 where: short stacking energy: -33.101 Base-Backbone interact. energy: 0.147 local terms energy: -43.633002 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -10.416 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -0.038 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: 9 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -66.361113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.361113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.361113 (E_RNA) where: Base-Base interactions energy: -28.744 where: short stacking energy: -14.721 Base-Backbone interact. energy: 1.461 local terms energy: -39.077895 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: 4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -225.667918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.667918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.667918 (E_RNA) where: Base-Base interactions energy: -151.942 where: short stacking energy: -50.419 Base-Backbone interact. energy: -0.270 local terms energy: -73.455446 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -16.925 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -14.298 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: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -215.964097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.964097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.964097 (E_RNA) where: Base-Base interactions energy: -140.925 where: short stacking energy: -59.020 Base-Backbone interact. energy: -0.591 local terms energy: -74.448381 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -11.006 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: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -205.767003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.767003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.767003 (E_RNA) where: Base-Base interactions energy: -138.563 where: short stacking energy: -60.319 Base-Backbone interact. energy: -0.065 local terms energy: -67.139122 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -7.965 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -188.367699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.367699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.367699 (E_RNA) where: Base-Base interactions energy: -123.682 where: short stacking energy: -47.474 Base-Backbone interact. energy: -0.017 local terms energy: -64.668662 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -9.033 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: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -171.284584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.284584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.284584 (E_RNA) where: Base-Base interactions energy: -103.689 where: short stacking energy: -47.288 Base-Backbone interact. energy: -0.209 local terms energy: -67.386589 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -14.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -147.386120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.386120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.386120 (E_RNA) where: Base-Base interactions energy: -89.574 where: short stacking energy: -37.974 Base-Backbone interact. energy: 0.021 local terms energy: -57.833118 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -7.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -93.180692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.180692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.180692 (E_RNA) where: Base-Base interactions energy: -39.093 where: short stacking energy: -39.093 Base-Backbone interact. energy: -0.002 local terms energy: -54.085334 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -2.522 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -13.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -74.290042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.290042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.290042 (E_RNA) where: Base-Base interactions energy: -26.032 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.091 local terms energy: -48.166570 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -10.378 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -81.665180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.665180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.665180 (E_RNA) where: Base-Base interactions energy: -38.957 where: short stacking energy: -26.806 Base-Backbone interact. energy: -0.124 local terms energy: -42.583553 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -75.423128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.423128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.423128 (E_RNA) where: Base-Base interactions energy: -21.084 where: short stacking energy: -20.685 Base-Backbone interact. energy: -0.124 local terms energy: -54.214605 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -8.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -224.389189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.389189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.389189 (E_RNA) where: Base-Base interactions energy: -147.484 where: short stacking energy: -63.694 Base-Backbone interact. energy: -0.006 local terms energy: -76.900104 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -12.720 tors. eta vs tors. theta energy: -19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -222.415628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.415628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.415628 (E_RNA) where: Base-Base interactions energy: -149.145 where: short stacking energy: -53.458 Base-Backbone interact. energy: -0.542 local terms energy: -72.729338 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -13.005 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -210.528024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.528024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.528024 (E_RNA) where: Base-Base interactions energy: -145.636 where: short stacking energy: -71.370 Base-Backbone interact. energy: -0.003 local terms energy: -64.889835 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -193.674492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.674492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.674492 (E_RNA) where: Base-Base interactions energy: -123.306 where: short stacking energy: -55.731 Base-Backbone interact. energy: -0.100 local terms energy: -70.268019 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -16.880 flat angles C4'-P-C4' energy: -12.644 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -132.174881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.174881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.174881 (E_RNA) where: Base-Base interactions energy: -69.093 where: short stacking energy: -32.157 Base-Backbone interact. energy: -0.086 local terms energy: -62.995180 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -9.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -152.917423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.917423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.917423 (E_RNA) where: Base-Base interactions energy: -85.799 where: short stacking energy: -46.123 Base-Backbone interact. energy: -0.285 local terms energy: -66.833846 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -17.066 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -9.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -94.044387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.044387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.044387 (E_RNA) where: Base-Base interactions energy: -34.241 where: short stacking energy: -30.849 Base-Backbone interact. energy: -0.063 local terms energy: -59.740318 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -7.768 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: 8 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -79.821037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.821037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.821037 (E_RNA) where: Base-Base interactions energy: -27.764 where: short stacking energy: -19.132 Base-Backbone interact. energy: -0.062 local terms energy: -51.994948 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -9.682 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -83.663241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.663241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.663241 (E_RNA) where: Base-Base interactions energy: -27.745 where: short stacking energy: -27.745 Base-Backbone interact. energy: -0.193 local terms energy: -55.724321 where: bonds (distance) C4'-P energy: -13.337 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -9.701 tors. eta vs tors. theta energy: -6.590 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: 10, replica: 10 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -72.240214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.240214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.240214 (E_RNA) where: Base-Base interactions energy: -31.279 where: short stacking energy: -30.857 Base-Backbone interact. energy: -0.872 local terms energy: -40.089144 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -7.403 flat angles C4'-P-C4' energy: -11.091 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -227.702632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.702632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.702632 (E_RNA) where: Base-Base interactions energy: -154.828 where: short stacking energy: -68.064 Base-Backbone interact. energy: -1.830 local terms energy: -71.044700 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -15.586 flat angles P-C4'-P energy: -11.550 tors. eta vs tors. theta energy: -17.411 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: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -217.168730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.168730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.168730 (E_RNA) where: Base-Base interactions energy: -142.094 where: short stacking energy: -69.570 Base-Backbone interact. energy: -1.076 local terms energy: -73.998878 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -22.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -216.418237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.418237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.418237 (E_RNA) where: Base-Base interactions energy: -149.214 where: short stacking energy: -58.981 Base-Backbone interact. energy: -0.114 local terms energy: -67.090305 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -17.642 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: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -188.246289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.246289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.246289 (E_RNA) where: Base-Base interactions energy: -119.709 where: short stacking energy: -54.754 Base-Backbone interact. energy: -0.024 local terms energy: -68.513212 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -18.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -140.829823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.829823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.829823 (E_RNA) where: Base-Base interactions energy: -80.005 where: short stacking energy: -49.743 Base-Backbone interact. energy: -0.006 local terms energy: -60.819013 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -15.347 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -129.337167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.337167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.337167 (E_RNA) where: Base-Base interactions energy: -79.521 where: short stacking energy: -45.392 Base-Backbone interact. energy: -0.006 local terms energy: -49.810699 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -88.415115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.415115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.415115 (E_RNA) where: Base-Base interactions energy: -34.417 where: short stacking energy: -33.454 Base-Backbone interact. energy: -0.070 local terms energy: -53.927420 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -5.687 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -81.309000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.309000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.309000 (E_RNA) where: Base-Base interactions energy: -38.832 where: short stacking energy: -24.013 Base-Backbone interact. energy: -0.204 local terms energy: -42.273001 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -12.147 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -93.648267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.648267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.648267 (E_RNA) where: Base-Base interactions energy: -41.789 where: short stacking energy: -36.471 Base-Backbone interact. energy: -0.220 local terms energy: -51.639444 where: bonds (distance) C4'-P energy: -15.779 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -6.058 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: 10, replica: 10 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -96.590048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.590048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.590048 (E_RNA) where: Base-Base interactions energy: -59.170 where: short stacking energy: -24.371 Base-Backbone interact. energy: 0.057 local terms energy: -37.476580 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -227.187441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.187441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.187441 (E_RNA) where: Base-Base interactions energy: -152.554 where: short stacking energy: -67.381 Base-Backbone interact. energy: -0.006 local terms energy: -74.627791 where: bonds (distance) C4'-P energy: -14.894 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -12.433 tors. eta vs tors. theta energy: -19.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -214.626092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.626092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.626092 (E_RNA) where: Base-Base interactions energy: -143.078 where: short stacking energy: -56.869 Base-Backbone interact. energy: -0.022 local terms energy: -71.525692 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -13.215 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -220.845701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.845701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.845701 (E_RNA) where: Base-Base interactions energy: -152.683 where: short stacking energy: -53.228 Base-Backbone interact. energy: 0.616 local terms energy: -68.778702 where: bonds (distance) C4'-P energy: -16.011 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -8.683 tors. eta vs tors. theta energy: -14.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -191.268938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.268938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.268938 (E_RNA) where: Base-Base interactions energy: -126.863 where: short stacking energy: -54.722 Base-Backbone interact. energy: -0.099 local terms energy: -64.307638 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -9.133 flat angles C4'-P-C4' energy: -15.492 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -16.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -145.270176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.270176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.270176 (E_RNA) where: Base-Base interactions energy: -83.639 where: short stacking energy: -37.394 Base-Backbone interact. energy: -0.078 local terms energy: -61.553010 where: bonds (distance) C4'-P energy: -13.146 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -15.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -158.089346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.089346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.089346 (E_RNA) where: Base-Base interactions energy: -95.200 where: short stacking energy: -43.098 Base-Backbone interact. energy: -0.080 local terms energy: -62.810059 where: bonds (distance) C4'-P energy: -17.034 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -12.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -93.455454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.455454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.455454 (E_RNA) where: Base-Base interactions energy: -33.570 where: short stacking energy: -32.854 Base-Backbone interact. energy: -0.415 local terms energy: -59.470147 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -7.528 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: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -88.031120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.031120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.031120 (E_RNA) where: Base-Base interactions energy: -37.212 where: short stacking energy: -35.858 Base-Backbone interact. energy: -0.088 local terms energy: -50.731821 where: bonds (distance) C4'-P energy: -11.561 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -8.478 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: 8 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -76.922475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.922475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.922475 (E_RNA) where: Base-Base interactions energy: -37.064 where: short stacking energy: -26.310 Base-Backbone interact. energy: 0.351 local terms energy: -40.209117 where: bonds (distance) C4'-P energy: -13.068 bonds (distance) P-C4' energy: -7.663 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -69.965954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.965954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.965954 (E_RNA) where: Base-Base interactions energy: -22.294 where: short stacking energy: -18.012 Base-Backbone interact. energy: -0.250 local terms energy: -47.422125 where: bonds (distance) C4'-P energy: -14.534 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -2.013 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: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -228.976550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.976550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.976550 (E_RNA) where: Base-Base interactions energy: -153.416 where: short stacking energy: -68.427 Base-Backbone interact. energy: -0.014 local terms energy: -75.546709 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -12.053 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -13.337 tors. eta vs tors. theta energy: -20.329 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: 3 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -223.807997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.807997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.807997 (E_RNA) where: Base-Base interactions energy: -158.607 where: short stacking energy: -55.395 Base-Backbone interact. energy: -0.308 local terms energy: -64.893590 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -15.086 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -12.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -201.105253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.105253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.105253 (E_RNA) where: Base-Base interactions energy: -131.299 where: short stacking energy: -66.388 Base-Backbone interact. energy: -0.012 local terms energy: -69.794247 where: bonds (distance) C4'-P energy: -15.636 bonds (distance) P-C4' energy: -12.623 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -185.247732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.247732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.247732 (E_RNA) where: Base-Base interactions energy: -117.004 where: short stacking energy: -48.230 Base-Backbone interact. energy: -0.116 local terms energy: -68.127819 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -151.162270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.162270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.162270 (E_RNA) where: Base-Base interactions energy: -97.738 where: short stacking energy: -40.377 Base-Backbone interact. energy: -0.275 local terms energy: -53.149234 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -13.415 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -7.293 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: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -136.963417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.963417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.963417 (E_RNA) where: Base-Base interactions energy: -78.717 where: short stacking energy: -33.899 Base-Backbone interact. energy: -0.155 local terms energy: -58.091693 where: bonds (distance) C4'-P energy: -12.549 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -6.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -87.003030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.003030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.003030 (E_RNA) where: Base-Base interactions energy: -36.129 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.166 local terms energy: -50.707879 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -119.588762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.588762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.588762 (E_RNA) where: Base-Base interactions energy: -65.458 where: short stacking energy: -42.936 Base-Backbone interact. energy: -0.050 local terms energy: -54.080658 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -10.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -85.036015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.036015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.036015 (E_RNA) where: Base-Base interactions energy: -38.110 where: short stacking energy: -23.902 Base-Backbone interact. energy: -0.436 local terms energy: -46.490527 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -75.902117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.902117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.902117 (E_RNA) where: Base-Base interactions energy: -25.806 where: short stacking energy: -20.413 Base-Backbone interact. energy: -0.352 local terms energy: -49.744079 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -8.318 tors. eta vs tors. theta energy: 1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -218.574438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.574438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.574438 (E_RNA) where: Base-Base interactions energy: -146.203 where: short stacking energy: -63.546 Base-Backbone interact. energy: -1.094 local terms energy: -71.276918 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -218.778529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.778529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.778529 (E_RNA) where: Base-Base interactions energy: -142.731 where: short stacking energy: -52.973 Base-Backbone interact. energy: -0.218 local terms energy: -75.829718 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -13.993 tors. eta vs tors. theta energy: -16.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -204.450442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.450442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.450442 (E_RNA) where: Base-Base interactions energy: -127.927 where: short stacking energy: -61.564 Base-Backbone interact. energy: -0.029 local terms energy: -76.495134 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -22.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -208.337126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.337126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.337126 (E_RNA) where: Base-Base interactions energy: -139.258 where: short stacking energy: -61.650 Base-Backbone interact. energy: 0.142 local terms energy: -69.221208 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -11.848 flat angles C4'-P-C4' energy: -16.582 flat angles P-C4'-P energy: -10.004 tors. eta vs tors. theta energy: -18.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -154.917142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.917142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.917142 (E_RNA) where: Base-Base interactions energy: -89.123 where: short stacking energy: -52.882 Base-Backbone interact. energy: -0.025 local terms energy: -65.769043 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -14.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -139.865915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.865915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.865915 (E_RNA) where: Base-Base interactions energy: -81.336 where: short stacking energy: -42.440 Base-Backbone interact. energy: -0.569 local terms energy: -57.960493 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -8.509 tors. eta vs tors. theta energy: -12.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -118.163685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.163685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.163685 (E_RNA) where: Base-Base interactions energy: -65.747 where: short stacking energy: -26.315 Base-Backbone interact. energy: -0.308 local terms energy: -52.109226 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -12.372 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -105.223146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.223146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.223146 (E_RNA) where: Base-Base interactions energy: -56.947 where: short stacking energy: -29.716 Base-Backbone interact. energy: -0.183 local terms energy: -48.093660 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -11.164 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -5.826 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: 10 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -71.639707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.639707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.639707 (E_RNA) where: Base-Base interactions energy: -22.081 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.190 local terms energy: -49.368064 where: bonds (distance) C4'-P energy: -16.174 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -5.702 tors. eta vs tors. theta energy: 3.915 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: 9 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -67.346326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.346326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.346326 (E_RNA) where: Base-Base interactions energy: -31.017 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.928 local terms energy: -35.401815 where: bonds (distance) C4'-P energy: -8.978 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -3.728 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: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -220.311799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.311799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.311799 (E_RNA) where: Base-Base interactions energy: -141.024 where: short stacking energy: -58.483 Base-Backbone interact. energy: -0.075 local terms energy: -79.213244 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -17.645 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: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -227.271320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.271320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.271320 (E_RNA) where: Base-Base interactions energy: -147.813 where: short stacking energy: -57.199 Base-Backbone interact. energy: -0.805 local terms energy: -78.653299 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -12.180 tors. eta vs tors. theta energy: -18.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -204.287251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.287251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.287251 (E_RNA) where: Base-Base interactions energy: -128.107 where: short stacking energy: -62.068 Base-Backbone interact. energy: -0.145 local terms energy: -76.035351 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -17.763 flat angles P-C4'-P energy: -12.917 tors. eta vs tors. theta energy: -20.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -200.487105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.487105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.487105 (E_RNA) where: Base-Base interactions energy: -141.495 where: short stacking energy: -60.714 Base-Backbone interact. energy: -0.658 local terms energy: -58.334090 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -2.353 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -18.628 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: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -156.727607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.727607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.727607 (E_RNA) where: Base-Base interactions energy: -104.722 where: short stacking energy: -46.919 Base-Backbone interact. energy: -0.068 local terms energy: -51.937074 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -7.900 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: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -173.135466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.135466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.135466 (E_RNA) where: Base-Base interactions energy: -116.576 where: short stacking energy: -41.854 Base-Backbone interact. energy: -0.149 local terms energy: -56.409874 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -15.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -134.085823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.085823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.085823 (E_RNA) where: Base-Base interactions energy: -74.208 where: short stacking energy: -38.069 Base-Backbone interact. energy: -0.119 local terms energy: -59.758951 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -12.371 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -13.456 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: 57 Temperature: 1.250000 Total energy: -81.003320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.003320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.003320 (E_RNA) where: Base-Base interactions energy: -37.111 where: short stacking energy: -22.479 Base-Backbone interact. energy: -0.384 local terms energy: -43.508222 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -6.096 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: 0.541 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: 9, replica: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -87.156373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.156373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.156373 (E_RNA) where: Base-Base interactions energy: -39.483 where: short stacking energy: -39.265 Base-Backbone interact. energy: -0.934 local terms energy: -46.739498 where: bonds (distance) C4'-P energy: -8.858 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -1.792 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -72.372018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.372018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.372018 (E_RNA) where: Base-Base interactions energy: -24.614 where: short stacking energy: -23.129 Base-Backbone interact. energy: -0.050 local terms energy: -47.707452 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -10.731 flat angles P-C4'-P energy: -2.304 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -219.910890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.910890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.910890 (E_RNA) where: Base-Base interactions energy: -147.611 where: short stacking energy: -49.894 Base-Backbone interact. energy: -0.605 local terms energy: -71.695181 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -15.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -213.438362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.438362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.438362 (E_RNA) where: Base-Base interactions energy: -138.720 where: short stacking energy: -61.009 Base-Backbone interact. energy: -0.012 local terms energy: -74.707046 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -209.558709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.558709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.558709 (E_RNA) where: Base-Base interactions energy: -135.228 where: short stacking energy: -60.330 Base-Backbone interact. energy: -0.367 local terms energy: -73.963650 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -14.804 tors. eta vs tors. theta energy: -17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -190.204997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.204997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.204997 (E_RNA) where: Base-Base interactions energy: -125.975 where: short stacking energy: -48.052 Base-Backbone interact. energy: -0.091 local terms energy: -64.139180 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -12.076 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -16.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -170.915560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.915560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.915560 (E_RNA) where: Base-Base interactions energy: -105.495 where: short stacking energy: -51.168 Base-Backbone interact. energy: -0.226 local terms energy: -65.194113 where: bonds (distance) C4'-P energy: -14.955 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -13.690 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: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -140.549626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.549626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.549626 (E_RNA) where: Base-Base interactions energy: -86.649 where: short stacking energy: -42.678 Base-Backbone interact. energy: 1.215 local terms energy: -55.115678 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -147.589615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.589615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.589615 (E_RNA) where: Base-Base interactions energy: -90.370 where: short stacking energy: -40.613 Base-Backbone interact. energy: -0.179 local terms energy: -57.040301 where: bonds (distance) C4'-P energy: -8.846 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -5.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -89.591334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.591334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.591334 (E_RNA) where: Base-Base interactions energy: -32.742 where: short stacking energy: -32.742 Base-Backbone interact. energy: -0.525 local terms energy: -56.325012 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -7.117 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: 9, replica: 9 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -78.100672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.100672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.100672 (E_RNA) where: Base-Base interactions energy: -27.552 where: short stacking energy: -27.552 Base-Backbone interact. energy: -0.118 local terms energy: -50.430972 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -9.932 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -5.056 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -77.635521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.635521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.635521 (E_RNA) where: Base-Base interactions energy: -30.047 where: short stacking energy: -21.040 Base-Backbone interact. energy: -0.041 local terms energy: -47.547625 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -232.762969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.762969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.762969 (E_RNA) where: Base-Base interactions energy: -159.513 where: short stacking energy: -59.698 Base-Backbone interact. energy: -0.123 local terms energy: -73.127815 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -13.809 tors. eta vs tors. theta energy: -15.328 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: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -219.753364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.753364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.753364 (E_RNA) where: Base-Base interactions energy: -143.842 where: short stacking energy: -64.927 Base-Backbone interact. energy: -0.788 local terms energy: -75.122797 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -16.527 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -212.722498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.722498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.722498 (E_RNA) where: Base-Base interactions energy: -134.733 where: short stacking energy: -64.438 Base-Backbone interact. energy: -0.181 local terms energy: -77.809170 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -18.036 flat angles P-C4'-P energy: -12.649 tors. eta vs tors. theta energy: -21.053 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: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -159.900991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.900991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.900991 (E_RNA) where: Base-Base interactions energy: -96.942 where: short stacking energy: -45.752 Base-Backbone interact. energy: -0.106 local terms energy: -62.853572 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -16.469 flat angles P-C4'-P energy: -9.371 tors. eta vs tors. theta energy: -11.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -184.335269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.335269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.335269 (E_RNA) where: Base-Base interactions energy: -124.276 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.443 local terms energy: -59.615901 where: bonds (distance) C4'-P energy: -4.516 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -13.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -135.456084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.456084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.456084 (E_RNA) where: Base-Base interactions energy: -79.918 where: short stacking energy: -39.422 Base-Backbone interact. energy: -0.068 local terms energy: -55.470425 where: bonds (distance) C4'-P energy: -9.736 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -141.560972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.560972 (E_RNA) where: Base-Base interactions energy: -82.092 where: short stacking energy: -41.320 Base-Backbone interact. energy: -0.168 local terms energy: -59.301330 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -10.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -80.609033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.609033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.609033 (E_RNA) where: Base-Base interactions energy: -29.245 where: short stacking energy: -28.411 Base-Backbone interact. energy: -0.022 local terms energy: -51.341485 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -12.247 flat angles C4'-P-C4' energy: -16.387 flat angles P-C4'-P energy: -6.004 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -86.053737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.053737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.053737 (E_RNA) where: Base-Base interactions energy: -38.187 where: short stacking energy: -29.110 Base-Backbone interact. energy: -0.776 local terms energy: -47.090190 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -5.989 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -68.162166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.162166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.162166 (E_RNA) where: Base-Base interactions energy: -21.749 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.073 local terms energy: -46.340454 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -12.195 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -224.243980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.243980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.243980 (E_RNA) where: Base-Base interactions energy: -150.159 where: short stacking energy: -51.793 Base-Backbone interact. energy: -0.293 local terms energy: -73.791456 where: bonds (distance) C4'-P energy: -16.315 bonds (distance) P-C4' energy: -16.447 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -11.940 tors. eta vs tors. theta energy: -14.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -208.719042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.719042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.719042 (E_RNA) where: Base-Base interactions energy: -136.287 where: short stacking energy: -62.399 Base-Backbone interact. energy: -0.005 local terms energy: -72.427308 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -11.941 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -204.513026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.513026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.513026 (E_RNA) where: Base-Base interactions energy: -137.323 where: short stacking energy: -53.257 Base-Backbone interact. energy: -0.189 local terms energy: -67.000816 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -9.397 flat angles C4'-P-C4' energy: -17.827 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -14.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -173.133420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.133420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.133420 (E_RNA) where: Base-Base interactions energy: -107.859 where: short stacking energy: -52.870 Base-Backbone interact. energy: -0.014 local terms energy: -65.259600 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -185.424448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.424448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.424448 (E_RNA) where: Base-Base interactions energy: -121.380 where: short stacking energy: -52.349 Base-Backbone interact. energy: -1.797 local terms energy: -62.247166 where: bonds (distance) C4'-P energy: -11.180 bonds (distance) P-C4' energy: -11.890 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -14.429 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: 7 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -157.471178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.471178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.471178 (E_RNA) where: Base-Base interactions energy: -94.034 where: short stacking energy: -41.659 Base-Backbone interact. energy: -0.548 local terms energy: -62.889056 where: bonds (distance) C4'-P energy: -14.268 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -83.880567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.880567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.880567 (E_RNA) where: Base-Base interactions energy: -30.327 where: short stacking energy: -30.327 Base-Backbone interact. energy: -0.053 local terms energy: -53.501239 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -10.846 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: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -148.501546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.501546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.501546 (E_RNA) where: Base-Base interactions energy: -86.226 where: short stacking energy: -48.860 Base-Backbone interact. energy: -0.103 local terms energy: -62.172492 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -16.792 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: 4 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -78.925835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.925835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.925835 (E_RNA) where: Base-Base interactions energy: -27.821 where: short stacking energy: -27.821 Base-Backbone interact. energy: -0.204 local terms energy: -50.901082 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -10.539 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -3.339 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: 10 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -65.646701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.646701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.646701 (E_RNA) where: Base-Base interactions energy: -25.625 where: short stacking energy: -25.625 Base-Backbone interact. energy: -0.232 local terms energy: -39.789758 where: bonds (distance) C4'-P energy: -9.538 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -8.690 tors. eta vs tors. theta energy: -1.682 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: 3 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -219.448363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.448363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.448363 (E_RNA) where: Base-Base interactions energy: -153.979 where: short stacking energy: -53.387 Base-Backbone interact. energy: -0.476 local terms energy: -64.993207 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -214.473560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.473560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.473560 (E_RNA) where: Base-Base interactions energy: -139.994 where: short stacking energy: -62.430 Base-Backbone interact. energy: -0.908 local terms energy: -73.571594 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -19.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -219.236507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.236507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.236507 (E_RNA) where: Base-Base interactions energy: -144.123 where: short stacking energy: -70.436 Base-Backbone interact. energy: -0.004 local terms energy: -75.109961 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -13.055 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -11.830 tors. eta vs tors. theta energy: -20.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -210.805974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.805974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.805974 (E_RNA) where: Base-Base interactions energy: -131.197 where: short stacking energy: -61.947 Base-Backbone interact. energy: -0.003 local terms energy: -79.606267 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -17.140 flat angles P-C4'-P energy: -13.248 tors. eta vs tors. theta energy: -20.663 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: 61 Temperature: 1.100000 Total energy: -166.536997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.536997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.536997 (E_RNA) where: Base-Base interactions energy: -106.198 where: short stacking energy: -52.104 Base-Backbone interact. energy: -0.496 local terms energy: -59.843041 where: bonds (distance) C4'-P energy: -8.693 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -7.109 tors. eta vs tors. theta energy: -15.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -149.747923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.747923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.747923 (E_RNA) where: Base-Base interactions energy: -93.861 where: short stacking energy: -43.216 Base-Backbone interact. energy: -0.884 local terms energy: -55.002993 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -10.816 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -81.586663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586663 (E_RNA) where: Base-Base interactions energy: -30.576 where: short stacking energy: -16.178 Base-Backbone interact. energy: -0.085 local terms energy: -50.926371 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -135.908451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.908451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.908451 (E_RNA) where: Base-Base interactions energy: -75.881 where: short stacking energy: -40.259 Base-Backbone interact. energy: -0.006 local terms energy: -60.021215 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -13.481 tors. eta vs tors. theta energy: -7.742 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: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -81.226575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.226575 (E_RNA) where: Base-Base interactions energy: -35.506 where: short stacking energy: -28.755 Base-Backbone interact. energy: -0.006 local terms energy: -45.715064 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -2.947 tors. eta vs tors. theta energy: -5.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -69.965672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.965672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.965672 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: -0.004 local terms energy: -48.923532 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -16.351 flat angles C4'-P-C4' energy: -17.312 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: 1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -220.514712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.514712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.514712 (E_RNA) where: Base-Base interactions energy: -148.805 where: short stacking energy: -64.706 Base-Backbone interact. energy: -1.061 local terms energy: -70.648928 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -10.407 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -12.279 tors. eta vs tors. theta energy: -16.734 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: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -221.766962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.766962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.766962 (E_RNA) where: Base-Base interactions energy: -147.995 where: short stacking energy: -54.123 Base-Backbone interact. energy: -0.459 local terms energy: -73.313037 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -11.730 tors. eta vs tors. theta energy: -13.703 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: 6 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -213.592549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.592549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.592549 (E_RNA) where: Base-Base interactions energy: -141.630 where: short stacking energy: -66.274 Base-Backbone interact. energy: -0.001 local terms energy: -71.962218 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -19.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -206.408093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.408093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.408093 (E_RNA) where: Base-Base interactions energy: -129.359 where: short stacking energy: -63.359 Base-Backbone interact. energy: -0.066 local terms energy: -76.983092 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -14.533 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -18.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -139.019287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.019287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.019287 (E_RNA) where: Base-Base interactions energy: -78.072 where: short stacking energy: -36.434 Base-Backbone interact. energy: -0.108 local terms energy: -60.839444 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -11.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -151.195493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.195493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.195493 (E_RNA) where: Base-Base interactions energy: -95.389 where: short stacking energy: -40.994 Base-Backbone interact. energy: -1.276 local terms energy: -54.530158 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -3.986 flat angles C4'-P-C4' energy: -14.412 flat angles P-C4'-P energy: -9.192 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: 7, replica: 8 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -138.996663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.996663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.996663 (E_RNA) where: Base-Base interactions energy: -84.844 where: short stacking energy: -35.762 Base-Backbone interact. energy: -0.141 local terms energy: -54.011639 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -10.499 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: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -89.192709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.192709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.192709 (E_RNA) where: Base-Base interactions energy: -38.119 where: short stacking energy: -30.214 Base-Backbone interact. energy: -0.260 local terms energy: -50.814170 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -12.438 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -82.443013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.443013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.443013 (E_RNA) where: Base-Base interactions energy: -38.149 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.507 local terms energy: -43.787163 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -10.173 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -7.228 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: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -61.614199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.614199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.614199 (E_RNA) where: Base-Base interactions energy: -12.610 where: short stacking energy: -11.833 Base-Backbone interact. energy: -0.222 local terms energy: -48.781693 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: 1.929 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: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -220.694114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.694114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.694114 (E_RNA) where: Base-Base interactions energy: -144.188 where: short stacking energy: -58.162 Base-Backbone interact. energy: -0.655 local terms energy: -75.850361 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -211.181874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.181874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.181874 (E_RNA) where: Base-Base interactions energy: -138.292 where: short stacking energy: -62.151 Base-Backbone interact. energy: -0.016 local terms energy: -72.873917 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -18.050 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: 3 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -206.486896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.486896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.486896 (E_RNA) where: Base-Base interactions energy: -145.325 where: short stacking energy: -56.396 Base-Backbone interact. energy: -0.341 local terms energy: -60.820785 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -12.239 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: 7 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -155.625289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.625289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.625289 (E_RNA) where: Base-Base interactions energy: -95.044 where: short stacking energy: -53.189 Base-Backbone interact. energy: -0.140 local terms energy: -60.441329 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -10.977 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -11.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -210.142674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.142674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.142674 (E_RNA) where: Base-Base interactions energy: -136.423 where: short stacking energy: -66.855 Base-Backbone interact. energy: -0.158 local terms energy: -73.562074 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -15.854 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -122.448234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.448234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.448234 (E_RNA) where: Base-Base interactions energy: -73.624 where: short stacking energy: -37.889 Base-Backbone interact. energy: -0.772 local terms energy: -48.052310 where: bonds (distance) C4'-P energy: -8.258 bonds (distance) P-C4' energy: -11.103 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -9.152 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -129.828521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.828521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.828521 (E_RNA) where: Base-Base interactions energy: -77.909 where: short stacking energy: -42.190 Base-Backbone interact. energy: -0.147 local terms energy: -51.772359 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -81.934775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.934775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.934775 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -32.108 Base-Backbone interact. energy: -1.029 local terms energy: -47.758539 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -10.173 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -78.370684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.370684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.370684 (E_RNA) where: Base-Base interactions energy: -26.692 where: short stacking energy: -26.692 Base-Backbone interact. energy: -0.077 local terms energy: -51.601663 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -11.319 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -9.427 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -71.369432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.369432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.369432 (E_RNA) where: Base-Base interactions energy: -29.127 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.162 local terms energy: -42.081018 where: bonds (distance) C4'-P energy: -9.401 bonds (distance) P-C4' energy: -10.283 flat angles C4'-P-C4' energy: -10.220 flat angles P-C4'-P energy: -10.562 tors. eta vs tors. theta energy: -1.614 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: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -219.501061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.501061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.501061 (E_RNA) where: Base-Base interactions energy: -148.187 where: short stacking energy: -61.223 Base-Backbone interact. energy: -0.059 local terms energy: -71.255145 where: bonds (distance) C4'-P energy: -17.014 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -16.027 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: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -218.045050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.045050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.045050 (E_RNA) where: Base-Base interactions energy: -144.383 where: short stacking energy: -63.053 Base-Backbone interact. energy: -0.395 local terms energy: -73.266534 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -18.645 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: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -211.102686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.102686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.102686 (E_RNA) where: Base-Base interactions energy: -148.658 where: short stacking energy: -57.216 Base-Backbone interact. energy: 1.871 local terms energy: -64.315050 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -12.029 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -13.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -165.684894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.684894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.684894 (E_RNA) where: Base-Base interactions energy: -97.199 where: short stacking energy: -49.666 Base-Backbone interact. energy: -0.117 local terms energy: -68.369581 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -14.421 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: 64 Temperature: 1.100000 Total energy: -189.469425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.469425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.469425 (E_RNA) where: Base-Base interactions energy: -123.889 where: short stacking energy: -50.897 Base-Backbone interact. energy: -0.074 local terms energy: -65.505861 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -13.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -158.712184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.712184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.712184 (E_RNA) where: Base-Base interactions energy: -102.302 where: short stacking energy: -35.163 Base-Backbone interact. energy: -0.437 local terms energy: -55.973567 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -10.662 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -90.950114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.950114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.950114 (E_RNA) where: Base-Base interactions energy: -40.763 where: short stacking energy: -40.763 Base-Backbone interact. energy: -0.159 local terms energy: -50.027758 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -9.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -152.018530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.018530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.018530 (E_RNA) where: Base-Base interactions energy: -92.976 where: short stacking energy: -37.693 Base-Backbone interact. energy: -0.106 local terms energy: -58.936347 where: bonds (distance) C4'-P energy: -10.193 bonds (distance) P-C4' energy: -11.009 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -10.076 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: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -74.557255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.557255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.557255 (E_RNA) where: Base-Base interactions energy: -29.227 where: short stacking energy: -29.227 Base-Backbone interact. energy: -0.141 local terms energy: -45.189099 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -0.134 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -76.670930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.670930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.670930 (E_RNA) where: Base-Base interactions energy: -32.550 where: short stacking energy: -32.550 Base-Backbone interact. energy: -0.449 local terms energy: -43.671814 where: bonds (distance) C4'-P energy: -15.298 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -10.573 flat angles P-C4'-P energy: 1.866 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -224.233669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.233669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.233669 (E_RNA) where: Base-Base interactions energy: -148.145 where: short stacking energy: -73.420 Base-Backbone interact. energy: -2.214 local terms energy: -73.874843 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -14.087 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -21.911 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: 2, replica: 6 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -214.618896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.618896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.618896 (E_RNA) where: Base-Base interactions energy: -145.210 where: short stacking energy: -68.343 Base-Backbone interact. energy: -0.005 local terms energy: -69.404032 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -14.206 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -18.593 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: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -205.910964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.910964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.910964 (E_RNA) where: Base-Base interactions energy: -130.153 where: short stacking energy: -65.746 Base-Backbone interact. energy: -0.066 local terms energy: -75.691499 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -15.825 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -18.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -214.717855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.717855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.717855 (E_RNA) where: Base-Base interactions energy: -137.541 where: short stacking energy: -66.807 Base-Backbone interact. energy: -0.000 local terms energy: -77.176944 where: bonds (distance) C4'-P energy: -15.788 bonds (distance) P-C4' energy: -13.990 flat angles C4'-P-C4' energy: -15.490 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -21.247 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: 7 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -157.733557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.733557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.733557 (E_RNA) where: Base-Base interactions energy: -100.421 where: short stacking energy: -43.356 Base-Backbone interact. energy: -1.047 local terms energy: -56.265779 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -5.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -172.409995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.409995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.409995 (E_RNA) where: Base-Base interactions energy: -111.936 where: short stacking energy: -48.474 Base-Backbone interact. energy: -0.383 local terms energy: -60.090976 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -10.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -104.609176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.609176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.609176 (E_RNA) where: Base-Base interactions energy: -58.388 where: short stacking energy: -34.313 Base-Backbone interact. energy: 0.599 local terms energy: -46.820166 where: bonds (distance) C4'-P energy: -15.938 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -3.285 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: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -81.387772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.387772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.387772 (E_RNA) where: Base-Base interactions energy: -36.033 where: short stacking energy: -29.361 Base-Backbone interact. energy: -0.009 local terms energy: -45.346386 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -6.152 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: 5 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -174.079977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.079977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.079977 (E_RNA) where: Base-Base interactions energy: -115.057 where: short stacking energy: -45.619 Base-Backbone interact. energy: -0.161 local terms energy: -58.861932 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -11.258 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: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -68.238623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.238623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.238623 (E_RNA) where: Base-Base interactions energy: -20.027 where: short stacking energy: -15.118 Base-Backbone interact. energy: -0.115 local terms energy: -48.097154 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -11.093 flat angles C4'-P-C4' energy: -9.053 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -0.452 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: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -223.298373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.298373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.298373 (E_RNA) where: Base-Base interactions energy: -150.143 where: short stacking energy: -63.906 Base-Backbone interact. energy: -0.160 local terms energy: -72.995400 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -11.270 tors. eta vs tors. theta energy: -16.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -216.163819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.163819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.163819 (E_RNA) where: Base-Base interactions energy: -142.122 where: short stacking energy: -69.622 Base-Backbone interact. energy: -0.742 local terms energy: -73.299338 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -11.911 tors. eta vs tors. theta energy: -21.050 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: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -212.432619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.432619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.432619 (E_RNA) where: Base-Base interactions energy: -136.587 where: short stacking energy: -63.396 Base-Backbone interact. energy: -2.697 local terms energy: -73.148489 where: bonds (distance) C4'-P energy: -9.621 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -21.201 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: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -213.302830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.302830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.302830 (E_RNA) where: Base-Base interactions energy: -143.095 where: short stacking energy: -58.980 Base-Backbone interact. energy: -0.092 local terms energy: -70.116630 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -15.565 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -16.033 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: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -169.493022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.493022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.493022 (E_RNA) where: Base-Base interactions energy: -107.468 where: short stacking energy: -48.337 Base-Backbone interact. energy: -0.078 local terms energy: -61.947569 where: bonds (distance) C4'-P energy: -16.745 bonds (distance) P-C4' energy: -13.418 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -9.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -158.556105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.556105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.556105 (E_RNA) where: Base-Base interactions energy: -98.664 where: short stacking energy: -47.361 Base-Backbone interact. energy: -0.080 local terms energy: -59.811527 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -106.276314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.276314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.276314 (E_RNA) where: Base-Base interactions energy: -59.051 where: short stacking energy: -33.042 Base-Backbone interact. energy: -0.086 local terms energy: -47.139315 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -7.460 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: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -81.463844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.463844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.463844 (E_RNA) where: Base-Base interactions energy: -30.318 where: short stacking energy: -26.070 Base-Backbone interact. energy: -0.188 local terms energy: -50.957909 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: 0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -189.318720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.318720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.318720 (E_RNA) where: Base-Base interactions energy: -132.703 where: short stacking energy: -58.215 Base-Backbone interact. energy: -0.555 local terms energy: -56.060748 where: bonds (distance) C4'-P energy: -7.876 bonds (distance) P-C4' energy: -11.952 flat angles C4'-P-C4' energy: -11.017 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -15.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -70.798377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.798377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.798377 (E_RNA) where: Base-Base interactions energy: -27.212 where: short stacking energy: -27.212 Base-Backbone interact. energy: -0.146 local terms energy: -43.440474 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -9.658 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -6.337 tors. eta vs tors. theta energy: -2.582 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: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -221.807404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.807404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.807404 (E_RNA) where: Base-Base interactions energy: -147.060 where: short stacking energy: -66.538 Base-Backbone interact. energy: -1.065 local terms energy: -73.682425 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -10.089 tors. eta vs tors. theta energy: -21.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -213.250357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.250357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.250357 (E_RNA) where: Base-Base interactions energy: -143.424 where: short stacking energy: -62.764 Base-Backbone interact. energy: -0.117 local terms energy: -69.709098 where: bonds (distance) C4'-P energy: -9.980 bonds (distance) P-C4' energy: -14.767 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -212.425111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.425111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.425111 (E_RNA) where: Base-Base interactions energy: -140.240 where: short stacking energy: -64.157 Base-Backbone interact. energy: -0.428 local terms energy: -71.756804 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -16.700 flat angles P-C4'-P energy: -12.519 tors. eta vs tors. theta energy: -14.619 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: 3 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -217.463799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.463799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.463799 (E_RNA) where: Base-Base interactions energy: -148.300 where: short stacking energy: -67.556 Base-Backbone interact. energy: -0.623 local terms energy: -68.541347 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -15.745 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -18.412 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: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -183.112040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.112040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.112040 (E_RNA) where: Base-Base interactions energy: -117.889 where: short stacking energy: -52.774 Base-Backbone interact. energy: -0.028 local terms energy: -65.194545 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -16.110 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: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -187.602974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.602974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.602974 (E_RNA) where: Base-Base interactions energy: -127.058 where: short stacking energy: -59.609 Base-Backbone interact. energy: 0.218 local terms energy: -60.762510 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -11.623 flat angles C4'-P-C4' energy: -16.124 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -13.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -107.846317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.846317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.846317 (E_RNA) where: Base-Base interactions energy: -61.418 where: short stacking energy: -32.056 Base-Backbone interact. energy: -0.360 local terms energy: -46.068852 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -10.714 flat angles C4'-P-C4' energy: -10.980 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -0.739 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: 8, replica: 5 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -178.248075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.248075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.248075 (E_RNA) where: Base-Base interactions energy: -118.543 where: short stacking energy: -53.076 Base-Backbone interact. energy: -0.162 local terms energy: -59.542425 where: bonds (distance) C4'-P energy: -9.041 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -12.278 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -12.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -65.859842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.859842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.859842 (E_RNA) where: Base-Base interactions energy: -20.692 where: short stacking energy: -17.288 Base-Backbone interact. energy: -0.182 local terms energy: -44.985501 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -10.921 flat angles C4'-P-C4' energy: -10.760 flat angles P-C4'-P energy: -9.679 tors. eta vs tors. theta energy: 0.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -78.470502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.470502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.470502 (E_RNA) where: Base-Base interactions energy: -27.544 where: short stacking energy: -27.544 Base-Backbone interact. energy: -0.064 local terms energy: -50.863407 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -17.555 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -7.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -220.499604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.499604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.499604 (E_RNA) where: Base-Base interactions energy: -150.191 where: short stacking energy: -65.426 Base-Backbone interact. energy: 1.029 local terms energy: -71.337657 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -11.151 flat angles C4'-P-C4' energy: -16.461 flat angles P-C4'-P energy: -12.285 tors. eta vs tors. theta energy: -16.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -219.721866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.721866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.721866 (E_RNA) where: Base-Base interactions energy: -142.906 where: short stacking energy: -68.931 Base-Backbone interact. energy: -0.065 local terms energy: -76.751096 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -16.576 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -20.034 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: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -213.500988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.500988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.500988 (E_RNA) where: Base-Base interactions energy: -137.533 where: short stacking energy: -71.363 Base-Backbone interact. energy: -0.414 local terms energy: -75.553942 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -12.578 tors. eta vs tors. theta energy: -20.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -205.018459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.018459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.018459 (E_RNA) where: Base-Base interactions energy: -139.390 where: short stacking energy: -62.433 Base-Backbone interact. energy: -0.004 local terms energy: -65.625186 where: bonds (distance) C4'-P energy: -15.379 bonds (distance) P-C4' energy: -14.146 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -16.795 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: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -181.169324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.169324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.169324 (E_RNA) where: Base-Base interactions energy: -115.668 where: short stacking energy: -43.637 Base-Backbone interact. energy: -0.101 local terms energy: -65.401218 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -12.850 tors. eta vs tors. theta energy: -18.173 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: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -173.942123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.942123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.942123 (E_RNA) where: Base-Base interactions energy: -115.029 where: short stacking energy: -45.715 Base-Backbone interact. energy: -0.025 local terms energy: -58.887586 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -198.926631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.926631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.926631 (E_RNA) where: Base-Base interactions energy: -126.698 where: short stacking energy: -57.203 Base-Backbone interact. energy: -0.099 local terms energy: -72.129231 where: bonds (distance) C4'-P energy: -16.135 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -4.595 tors. eta vs tors. theta energy: -18.225 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: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -80.241780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.241780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.241780 (E_RNA) where: Base-Base interactions energy: -25.626 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.112 local terms energy: -54.504336 where: bonds (distance) C4'-P energy: -9.001 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -11.872 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -83.927965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.927965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.927965 (E_RNA) where: Base-Base interactions energy: -26.974 where: short stacking energy: -27.074 Base-Backbone interact. energy: -0.508 local terms energy: -56.445742 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.879 flat angles C4'-P-C4' energy: -15.643 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -7.091 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: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -81.003373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.003373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.003373 (E_RNA) where: Base-Base interactions energy: -27.188 where: short stacking energy: -27.188 Base-Backbone interact. energy: 0.908 local terms energy: -54.723694 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -9.353 flat angles P-C4'-P energy: -9.265 tors. eta vs tors. theta energy: -11.468 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: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -224.474869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.474869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.474869 (E_RNA) where: Base-Base interactions energy: -150.505 where: short stacking energy: -63.865 Base-Backbone interact. energy: -0.019 local terms energy: -73.951615 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -12.177 tors. eta vs tors. theta energy: -18.635 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: 3 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -217.098455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.098455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.098455 (E_RNA) where: Base-Base interactions energy: -140.826 where: short stacking energy: -64.150 Base-Backbone interact. energy: -0.618 local terms energy: -75.654114 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -10.217 flat angles C4'-P-C4' energy: -17.495 flat angles P-C4'-P energy: -10.524 tors. eta vs tors. theta energy: -21.194 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: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -212.244053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.244053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.244053 (E_RNA) where: Base-Base interactions energy: -141.517 where: short stacking energy: -67.428 Base-Backbone interact. energy: -2.312 local terms energy: -68.414625 where: bonds (distance) C4'-P energy: -10.474 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -20.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -216.622691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.622691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.622691 (E_RNA) where: Base-Base interactions energy: -145.852 where: short stacking energy: -59.225 Base-Backbone interact. energy: -0.062 local terms energy: -70.708185 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -14.332 flat angles C4'-P-C4' energy: -12.107 flat angles P-C4'-P energy: -12.440 tors. eta vs tors. theta energy: -18.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -188.511949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.511949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.511949 (E_RNA) where: Base-Base interactions energy: -118.948 where: short stacking energy: -50.339 Base-Backbone interact. energy: -1.103 local terms energy: -68.460685 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -15.173 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: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -201.124682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.124682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.124682 (E_RNA) where: Base-Base interactions energy: -127.424 where: short stacking energy: -50.946 Base-Backbone interact. energy: -0.486 local terms energy: -73.215370 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -13.501 tors. eta vs tors. theta energy: -17.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -154.440824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.440824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.440824 (E_RNA) where: Base-Base interactions energy: -95.362 where: short stacking energy: -43.813 Base-Backbone interact. energy: -1.002 local terms energy: -58.077290 where: bonds (distance) C4'-P energy: -10.502 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -11.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -83.224162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.224162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.224162 (E_RNA) where: Base-Base interactions energy: -26.294 where: short stacking energy: -25.788 Base-Backbone interact. energy: 1.509 local terms energy: -58.439488 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -14.539 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -2.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -79.272124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.272124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.272124 (E_RNA) where: Base-Base interactions energy: -28.158 where: short stacking energy: -28.158 Base-Backbone interact. energy: -0.021 local terms energy: -51.093469 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -5.953 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: 4 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -73.557676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.557676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.557676 (E_RNA) where: Base-Base interactions energy: -24.812 where: short stacking energy: -24.812 Base-Backbone interact. energy: -0.561 local terms energy: -48.184101 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -11.101 flat angles C4'-P-C4' energy: -10.481 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -221.715896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.715896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.715896 (E_RNA) where: Base-Base interactions energy: -152.634 where: short stacking energy: -64.444 Base-Backbone interact. energy: -0.152 local terms energy: -68.929805 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -15.569 flat angles P-C4'-P energy: -11.985 tors. eta vs tors. theta energy: -12.053 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: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -222.287006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.287006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.287006 (E_RNA) where: Base-Base interactions energy: -147.234 where: short stacking energy: -63.684 Base-Backbone interact. energy: -0.003 local terms energy: -75.049673 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -216.392079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.392079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.392079 (E_RNA) where: Base-Base interactions energy: -150.518 where: short stacking energy: -61.703 Base-Backbone interact. energy: 0.525 local terms energy: -66.399293 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -16.800 flat angles C4'-P-C4' energy: -11.246 flat angles P-C4'-P energy: -9.319 tors. eta vs tors. theta energy: -17.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -212.745473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.745473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.745473 (E_RNA) where: Base-Base interactions energy: -134.899 where: short stacking energy: -63.161 Base-Backbone interact. energy: -0.044 local terms energy: -77.803144 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -12.061 tors. eta vs tors. theta energy: -21.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -193.279705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.279705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.279705 (E_RNA) where: Base-Base interactions energy: -124.664 where: short stacking energy: -51.803 Base-Backbone interact. energy: -0.770 local terms energy: -67.845974 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -16.481 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -13.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -190.626420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.626420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.626420 (E_RNA) where: Base-Base interactions energy: -124.728 where: short stacking energy: -49.371 Base-Backbone interact. energy: -0.511 local terms energy: -65.387585 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -16.847 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: 8 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -130.410027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.410027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.410027 (E_RNA) where: Base-Base interactions energy: -71.994 where: short stacking energy: -38.907 Base-Backbone interact. energy: 0.637 local terms energy: -59.053242 where: bonds (distance) C4'-P energy: -9.305 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -11.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -82.670059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.670059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.670059 (E_RNA) where: Base-Base interactions energy: -34.744 where: short stacking energy: -28.126 Base-Backbone interact. energy: -0.142 local terms energy: -47.783616 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -3.963 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: 4 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -90.291917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.291917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.291917 (E_RNA) where: Base-Base interactions energy: -50.972 where: short stacking energy: -26.934 Base-Backbone interact. energy: -0.221 local terms energy: -39.098955 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: 1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -76.769453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.769453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.769453 (E_RNA) where: Base-Base interactions energy: -29.730 where: short stacking energy: -23.058 Base-Backbone interact. energy: -0.288 local terms energy: -46.750809 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -1.502 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: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -220.657138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.657138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.657138 (E_RNA) where: Base-Base interactions energy: -141.750 where: short stacking energy: -64.320 Base-Backbone interact. energy: -2.047 local terms energy: -76.860010 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -16.151 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -12.941 tors. eta vs tors. theta energy: -20.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -227.771164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.771164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.771164 (E_RNA) where: Base-Base interactions energy: -146.813 where: short stacking energy: -66.033 Base-Backbone interact. energy: -1.301 local terms energy: -79.657558 where: bonds (distance) C4'-P energy: -14.853 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -17.875 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -18.822 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: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -209.711572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.711572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.711572 (E_RNA) where: Base-Base interactions energy: -136.905 where: short stacking energy: -66.670 Base-Backbone interact. energy: -0.038 local terms energy: -72.767812 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -20.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -227.918901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.918901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.918901 (E_RNA) where: Base-Base interactions energy: -151.083 where: short stacking energy: -67.706 Base-Backbone interact. energy: -0.166 local terms energy: -76.669597 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -12.610 tors. eta vs tors. theta energy: -18.322 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: 71 Temperature: 1.100000 Total energy: -203.699041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.699041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.699041 (E_RNA) where: Base-Base interactions energy: -131.753 where: short stacking energy: -56.387 Base-Backbone interact. energy: 0.350 local terms energy: -72.295639 where: bonds (distance) C4'-P energy: -13.985 bonds (distance) P-C4' energy: -17.753 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -16.701 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: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -193.534408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.534408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.534408 (E_RNA) where: Base-Base interactions energy: -125.268 where: short stacking energy: -58.841 Base-Backbone interact. energy: -0.087 local terms energy: -68.180119 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -17.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -98.981018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.981018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.981018 (E_RNA) where: Base-Base interactions energy: -43.756 where: short stacking energy: -28.217 Base-Backbone interact. energy: 0.100 local terms energy: -55.325487 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -12.576 tors. eta vs tors. theta energy: -8.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -82.166518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.166518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.166518 (E_RNA) where: Base-Base interactions energy: -37.076 where: short stacking energy: -34.867 Base-Backbone interact. energy: -0.164 local terms energy: -44.926355 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -88.873484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.873484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.873484 (E_RNA) where: Base-Base interactions energy: -34.542 where: short stacking energy: -23.563 Base-Backbone interact. energy: -0.009 local terms energy: -54.322458 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -8.655 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -71.548328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.548328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.548328 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -23.095 Base-Backbone interact. energy: -0.102 local terms energy: -43.423236 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -220.201311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.201311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.201311 (E_RNA) where: Base-Base interactions energy: -144.058 where: short stacking energy: -67.994 Base-Backbone interact. energy: -0.002 local terms energy: -76.142102 where: bonds (distance) C4'-P energy: -13.311 bonds (distance) P-C4' energy: -16.069 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -13.909 tors. eta vs tors. theta energy: -18.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -228.218638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.218638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.218638 (E_RNA) where: Base-Base interactions energy: -155.162 where: short stacking energy: -65.696 Base-Backbone interact. energy: -0.043 local terms energy: -73.013549 where: bonds (distance) C4'-P energy: -13.632 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -16.729 flat angles P-C4'-P energy: -12.396 tors. eta vs tors. theta energy: -18.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -208.630971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.630971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.630971 (E_RNA) where: Base-Base interactions energy: -136.458 where: short stacking energy: -65.495 Base-Backbone interact. energy: -0.035 local terms energy: -72.138666 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -20.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -200.908041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.908041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.908041 (E_RNA) where: Base-Base interactions energy: -133.118 where: short stacking energy: -56.051 Base-Backbone interact. energy: -0.328 local terms energy: -67.462218 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -17.359 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: 5, replica: 5 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -193.711600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.711600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.711600 (E_RNA) where: Base-Base interactions energy: -131.020 where: short stacking energy: -59.573 Base-Backbone interact. energy: -0.106 local terms energy: -62.585349 where: bonds (distance) C4'-P energy: -8.897 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -9.586 tors. eta vs tors. theta energy: -17.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -204.367155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.367155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.367155 (E_RNA) where: Base-Base interactions energy: -135.543 where: short stacking energy: -57.367 Base-Backbone interact. energy: 0.834 local terms energy: -69.658389 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -17.979 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -90.813359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.813359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.813359 (E_RNA) where: Base-Base interactions energy: -38.460 where: short stacking energy: -28.601 Base-Backbone interact. energy: -0.118 local terms energy: -52.234905 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -9.612 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -76.567963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.567963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.567963 (E_RNA) where: Base-Base interactions energy: -35.526 where: short stacking energy: -31.619 Base-Backbone interact. energy: -0.143 local terms energy: -40.898738 where: bonds (distance) C4'-P energy: -9.330 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -1.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -70.246794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.246794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.246794 (E_RNA) where: Base-Base interactions energy: -34.264 where: short stacking energy: -27.464 Base-Backbone interact. energy: -0.343 local terms energy: -35.639627 where: bonds (distance) C4'-P energy: -7.618 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -3.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -69.843523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.843523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.843523 (E_RNA) where: Base-Base interactions energy: -23.954 where: short stacking energy: -14.429 Base-Backbone interact. energy: -0.918 local terms energy: -44.971425 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -0.270 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: 2 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -219.192508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.192508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.192508 (E_RNA) where: Base-Base interactions energy: -143.481 where: short stacking energy: -71.874 Base-Backbone interact. energy: -0.091 local terms energy: -75.620661 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -11.518 tors. eta vs tors. theta energy: -19.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -211.772817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.772817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.772817 (E_RNA) where: Base-Base interactions energy: -136.363 where: short stacking energy: -59.422 Base-Backbone interact. energy: -0.090 local terms energy: -75.319202 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -11.153 tors. eta vs tors. theta energy: -16.275 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: 3 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -214.815076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.815076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.815076 (E_RNA) where: Base-Base interactions energy: -141.739 where: short stacking energy: -62.175 Base-Backbone interact. energy: -0.759 local terms energy: -72.316681 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -16.977 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -17.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -209.343663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.343663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.343663 (E_RNA) where: Base-Base interactions energy: -134.218 where: short stacking energy: -55.880 Base-Backbone interact. energy: -0.132 local terms energy: -74.994034 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -15.895 flat angles P-C4'-P energy: -14.500 tors. eta vs tors. theta energy: -15.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -202.317046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.317046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.317046 (E_RNA) where: Base-Base interactions energy: -131.128 where: short stacking energy: -64.031 Base-Backbone interact. energy: -1.043 local terms energy: -70.145654 where: bonds (distance) C4'-P energy: -11.242 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -16.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -194.981597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.981597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.981597 (E_RNA) where: Base-Base interactions energy: -124.863 where: short stacking energy: -55.500 Base-Backbone interact. energy: -0.117 local terms energy: -70.001578 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -16.128 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: 7, replica: 4 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -128.652590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.652590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.652590 (E_RNA) where: Base-Base interactions energy: -76.284 where: short stacking energy: -49.093 Base-Backbone interact. energy: -0.101 local terms energy: -52.267090 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -12.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -94.630254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.630254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.630254 (E_RNA) where: Base-Base interactions energy: -38.255 where: short stacking energy: -35.211 Base-Backbone interact. energy: -0.013 local terms energy: -56.361592 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -11.307 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -8.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -70.606007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.606007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.606007 (E_RNA) where: Base-Base interactions energy: -23.809 where: short stacking energy: -23.698 Base-Backbone interact. energy: -0.062 local terms energy: -46.735730 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -69.168924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.168924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.168924 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -30.642 Base-Backbone interact. energy: 0.344 local terms energy: -38.870697 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -5.974 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -209.468624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.468624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.468624 (E_RNA) where: Base-Base interactions energy: -145.008 where: short stacking energy: -53.878 Base-Backbone interact. energy: -0.214 local terms energy: -64.247228 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -17.817 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -12.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -220.128032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.128032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.128032 (E_RNA) where: Base-Base interactions energy: -146.659 where: short stacking energy: -62.629 Base-Backbone interact. energy: -0.010 local terms energy: -73.458612 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -14.454 flat angles C4'-P-C4' energy: -15.752 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -17.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -215.096742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.096742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.096742 (E_RNA) where: Base-Base interactions energy: -140.834 where: short stacking energy: -68.345 Base-Backbone interact. energy: -0.010 local terms energy: -74.253059 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -12.207 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: 4, replica: 3 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -204.563077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.563077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.563077 (E_RNA) where: Base-Base interactions energy: -142.135 where: short stacking energy: -60.514 Base-Backbone interact. energy: -0.452 local terms energy: -61.975375 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -202.790842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.790842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.790842 (E_RNA) where: Base-Base interactions energy: -139.615 where: short stacking energy: -53.026 Base-Backbone interact. energy: 0.080 local terms energy: -63.255584 where: bonds (distance) C4'-P energy: -12.122 bonds (distance) P-C4' energy: -14.870 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -205.999858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.999858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.999858 (E_RNA) where: Base-Base interactions energy: -133.645 where: short stacking energy: -64.732 Base-Backbone interact. energy: -2.333 local terms energy: -70.022371 where: bonds (distance) C4'-P energy: -11.955 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -10.264 tors. eta vs tors. theta energy: -19.319 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: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -83.875034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.875034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.875034 (E_RNA) where: Base-Base interactions energy: -36.543 where: short stacking energy: -36.543 Base-Backbone interact. energy: -0.061 local terms energy: -47.270801 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -10.211 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -10.291 tors. eta vs tors. theta energy: -6.980 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: 8, replica: 4 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -82.813236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.813236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.813236 (E_RNA) where: Base-Base interactions energy: -32.668 where: short stacking energy: -28.099 Base-Backbone interact. energy: -0.194 local terms energy: -49.950961 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -14.644 flat angles P-C4'-P energy: -7.804 tors. eta vs tors. theta energy: 0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -72.586568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.586568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.586568 (E_RNA) where: Base-Base interactions energy: -30.258 where: short stacking energy: -30.219 Base-Backbone interact. energy: -0.033 local terms energy: -42.295101 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -12.474 flat angles C4'-P-C4' energy: -9.186 flat angles P-C4'-P energy: -11.417 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -90.470590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.470590 (E_RNA) where: Base-Base interactions energy: -32.439 where: short stacking energy: -32.439 Base-Backbone interact. energy: -0.010 local terms energy: -58.021917 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -16.095 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -216.901021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.901021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.901021 (E_RNA) where: Base-Base interactions energy: -149.874 where: short stacking energy: -56.941 Base-Backbone interact. energy: -0.100 local terms energy: -66.926751 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -14.911 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: 2, replica: 2 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -212.206961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.206961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.206961 (E_RNA) where: Base-Base interactions energy: -144.696 where: short stacking energy: -68.179 Base-Backbone interact. energy: -0.003 local terms energy: -67.507643 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -14.415 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -19.235 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: 3, replica: 6 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -217.366986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.366986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.366986 (E_RNA) where: Base-Base interactions energy: -139.874 where: short stacking energy: -70.148 Base-Backbone interact. energy: -0.007 local terms energy: -77.486083 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -22.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -208.504222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.504222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.504222 (E_RNA) where: Base-Base interactions energy: -139.578 where: short stacking energy: -53.226 Base-Backbone interact. energy: -0.028 local terms energy: -68.898773 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -9.933 tors. eta vs tors. theta energy: -13.287 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: 3 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -208.171071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.171071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.171071 (E_RNA) where: Base-Base interactions energy: -140.650 where: short stacking energy: -64.939 Base-Backbone interact. energy: -0.002 local terms energy: -67.518530 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -18.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -200.896006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.896006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.896006 (E_RNA) where: Base-Base interactions energy: -128.186 where: short stacking energy: -63.137 Base-Backbone interact. energy: -0.000 local terms energy: -72.709496 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -16.404 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -21.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -91.036146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.036146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.036146 (E_RNA) where: Base-Base interactions energy: -37.224 where: short stacking energy: -36.660 Base-Backbone interact. energy: -0.112 local terms energy: -53.699856 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -15.529 flat angles P-C4'-P energy: -6.416 tors. eta vs tors. theta energy: -5.599 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: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -80.725545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.725545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.725545 (E_RNA) where: Base-Base interactions energy: -30.254 where: short stacking energy: -23.462 Base-Backbone interact. energy: 0.121 local terms energy: -50.592435 where: bonds (distance) C4'-P energy: -16.075 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: 0.028 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: 4 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -70.144719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.144719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.144719 (E_RNA) where: Base-Base interactions energy: -21.902 where: short stacking energy: -21.448 Base-Backbone interact. energy: -0.047 local terms energy: -48.195570 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -13.418 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -2.526 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: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -73.824779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.824779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.824779 (E_RNA) where: Base-Base interactions energy: -31.313 where: short stacking energy: -31.413 Base-Backbone interact. energy: -0.202 local terms energy: -42.310584 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -7.126 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -6.415 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: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -221.226325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.226325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.226325 (E_RNA) where: Base-Base interactions energy: -144.504 where: short stacking energy: -55.453 Base-Backbone interact. energy: -0.058 local terms energy: -76.664001 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -11.066 tors. eta vs tors. theta energy: -16.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -218.230951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.230951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.230951 (E_RNA) where: Base-Base interactions energy: -148.860 where: short stacking energy: -62.344 Base-Backbone interact. energy: -1.025 local terms energy: -68.345988 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -14.378 flat angles P-C4'-P energy: -10.524 tors. eta vs tors. theta energy: -16.412 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: 6 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -215.696965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.696965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.696965 (E_RNA) where: Base-Base interactions energy: -140.523 where: short stacking energy: -64.434 Base-Backbone interact. energy: -0.055 local terms energy: -75.119528 where: bonds (distance) C4'-P energy: -14.401 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -17.455 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -215.299638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.299638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.299638 (E_RNA) where: Base-Base interactions energy: -145.059 where: short stacking energy: -63.101 Base-Backbone interact. energy: -0.002 local terms energy: -70.238960 where: bonds (distance) C4'-P energy: -13.131 bonds (distance) P-C4' energy: -17.520 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -19.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -210.962872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.962872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.962872 (E_RNA) where: Base-Base interactions energy: -144.253 where: short stacking energy: -66.890 Base-Backbone interact. energy: -0.005 local terms energy: -66.704848 where: bonds (distance) C4'-P energy: -14.345 bonds (distance) P-C4' energy: -9.913 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -21.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -203.774441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.774441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.774441 (E_RNA) where: Base-Base interactions energy: -141.047 where: short stacking energy: -52.306 Base-Backbone interact. energy: -0.097 local terms energy: -62.630456 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -10.883 tors. eta vs tors. theta energy: -13.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -93.000497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.000497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.000497 (E_RNA) where: Base-Base interactions energy: -39.530 where: short stacking energy: -39.530 Base-Backbone interact. energy: -0.006 local terms energy: -53.464458 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -13.111 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -9.613 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: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -79.463817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.463817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.463817 (E_RNA) where: Base-Base interactions energy: -34.695 where: short stacking energy: -28.986 Base-Backbone interact. energy: -0.142 local terms energy: -44.626982 where: bonds (distance) C4'-P energy: -15.015 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -4.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -87.606791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.606791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.606791 (E_RNA) where: Base-Base interactions energy: -38.705 where: short stacking energy: -25.285 Base-Backbone interact. energy: -0.019 local terms energy: -48.883141 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -72.378131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.378131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.378131 (E_RNA) where: Base-Base interactions energy: -29.488 where: short stacking energy: -29.488 Base-Backbone interact. energy: -0.237 local terms energy: -42.653251 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -9.436 flat angles C4'-P-C4' energy: -11.458 flat angles P-C4'-P energy: -6.241 tors. eta vs tors. theta energy: -0.763 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: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -216.495500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.495500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.495500 (E_RNA) where: Base-Base interactions energy: -143.756 where: short stacking energy: -57.741 Base-Backbone interact. energy: -0.077 local terms energy: -72.662751 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -17.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -217.573472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.573472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.573472 (E_RNA) where: Base-Base interactions energy: -139.016 where: short stacking energy: -69.165 Base-Backbone interact. energy: -0.091 local terms energy: -78.466285 where: bonds (distance) C4'-P energy: -17.114 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -15.396 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -20.094 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -211.238442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.238442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.238442 (E_RNA) where: Base-Base interactions energy: -132.763 where: short stacking energy: -60.366 Base-Backbone interact. energy: -0.430 local terms energy: -78.045623 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -16.980 flat angles P-C4'-P energy: -11.049 tors. eta vs tors. theta energy: -18.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -210.458812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.458812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.458812 (E_RNA) where: Base-Base interactions energy: -136.405 where: short stacking energy: -68.619 Base-Backbone interact. energy: -0.004 local terms energy: -74.049185 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -9.481 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: 5, replica: 5 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -198.475758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.475758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.475758 (E_RNA) where: Base-Base interactions energy: -132.205 where: short stacking energy: -52.884 Base-Backbone interact. energy: 1.177 local terms energy: -67.448310 where: bonds (distance) C4'-P energy: -12.820 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -10.412 flat angles P-C4'-P energy: -12.444 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -196.951441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.951441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.951441 (E_RNA) where: Base-Base interactions energy: -137.961 where: short stacking energy: -47.158 Base-Backbone interact. energy: -0.154 local terms energy: -58.836023 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -86.489345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.489345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.489345 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.157 local terms energy: -57.716389 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -10.579 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: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -90.710772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.710772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.710772 (E_RNA) where: Base-Base interactions energy: -49.826 where: short stacking energy: -25.929 Base-Backbone interact. energy: 0.582 local terms energy: -41.466814 where: bonds (distance) C4'-P energy: -8.476 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -76.939248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.939248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.939248 (E_RNA) where: Base-Base interactions energy: -27.684 where: short stacking energy: -23.301 Base-Backbone interact. energy: 0.326 local terms energy: -49.581491 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -64.931402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.931402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.931402 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: 1.493 local terms energy: -47.996888 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -222.454133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.454133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.454133 (E_RNA) where: Base-Base interactions energy: -151.121 where: short stacking energy: -59.653 Base-Backbone interact. energy: -0.109 local terms energy: -71.224507 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -14.468 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -19.865 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: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -205.196938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.196938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.196938 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -58.505 Base-Backbone interact. energy: -0.115 local terms energy: -68.412832 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -12.635 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -216.756014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.756014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.756014 (E_RNA) where: Base-Base interactions energy: -141.340 where: short stacking energy: -69.316 Base-Backbone interact. energy: -0.021 local terms energy: -75.395283 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -17.207 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -22.029 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: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -218.777726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.777726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.777726 (E_RNA) where: Base-Base interactions energy: -142.041 where: short stacking energy: -65.600 Base-Backbone interact. energy: -0.002 local terms energy: -76.734710 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -13.100 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -13.027 tors. eta vs tors. theta energy: -20.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -208.316359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.316359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.316359 (E_RNA) where: Base-Base interactions energy: -137.611 where: short stacking energy: -65.767 Base-Backbone interact. energy: -3.062 local terms energy: -67.643445 where: bonds (distance) C4'-P energy: -10.398 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -20.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -202.289607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.289607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.289607 (E_RNA) where: Base-Base interactions energy: -132.370 where: short stacking energy: -60.780 Base-Backbone interact. energy: -0.715 local terms energy: -69.204166 where: bonds (distance) C4'-P energy: -9.598 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -23.214 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: 78 Temperature: 1.200000 Total energy: -93.245132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.245132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.245132 (E_RNA) where: Base-Base interactions energy: -45.391 where: short stacking energy: -32.123 Base-Backbone interact. energy: -0.068 local terms energy: -47.786110 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -2.135 tors. eta vs tors. theta energy: -8.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -80.135527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.135527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.135527 (E_RNA) where: Base-Base interactions energy: -26.128 where: short stacking energy: -26.128 Base-Backbone interact. energy: -0.126 local terms energy: -53.881743 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -72.543715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.543715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.543715 (E_RNA) where: Base-Base interactions energy: -18.643 where: short stacking energy: -18.643 Base-Backbone interact. energy: -1.928 local terms energy: -51.973031 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -78.875834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.875834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.875834 (E_RNA) where: Base-Base interactions energy: -33.909 where: short stacking energy: -22.419 Base-Backbone interact. energy: 1.218 local terms energy: -46.185033 where: bonds (distance) C4'-P energy: -10.213 bonds (distance) P-C4' energy: -12.735 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -6.318 tors. eta vs tors. theta energy: -4.388 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: 1, replica: 6 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -223.516935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.516935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.516935 (E_RNA) where: Base-Base interactions energy: -145.682 where: short stacking energy: -61.628 Base-Backbone interact. energy: -0.682 local terms energy: -77.153438 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -16.940 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -19.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -214.320894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.320894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.320894 (E_RNA) where: Base-Base interactions energy: -141.972 where: short stacking energy: -64.409 Base-Backbone interact. energy: -1.958 local terms energy: -70.390153 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -16.039 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -20.918 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: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -209.827026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.827026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.827026 (E_RNA) where: Base-Base interactions energy: -138.642 where: short stacking energy: -61.786 Base-Backbone interact. energy: -0.244 local terms energy: -70.940643 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -10.751 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -198.149424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.149424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.149424 (E_RNA) where: Base-Base interactions energy: -137.360 where: short stacking energy: -51.517 Base-Backbone interact. energy: -0.103 local terms energy: -60.686399 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -11.160 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -12.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -199.435902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.435902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.435902 (E_RNA) where: Base-Base interactions energy: -130.381 where: short stacking energy: -52.678 Base-Backbone interact. energy: 0.301 local terms energy: -69.356127 where: bonds (distance) C4'-P energy: -12.719 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -11.483 tors. eta vs tors. theta energy: -13.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -188.215204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.215204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.215204 (E_RNA) where: Base-Base interactions energy: -130.198 where: short stacking energy: -49.472 Base-Backbone interact. energy: -0.149 local terms energy: -57.867331 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -16.950 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -95.880312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.880312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.880312 (E_RNA) where: Base-Base interactions energy: -37.102 where: short stacking energy: -33.992 Base-Backbone interact. energy: -1.081 local terms energy: -57.696773 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -7.551 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -85.909835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.909835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.909835 (E_RNA) where: Base-Base interactions energy: -42.046 where: short stacking energy: -29.170 Base-Backbone interact. energy: -0.221 local terms energy: -43.642092 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -11.649 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: 0.018 tors. eta vs tors. theta energy: -5.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -81.463028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.463028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.463028 (E_RNA) where: Base-Base interactions energy: -32.858 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.128 local terms energy: -48.476856 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -0.578 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: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -76.868844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.868844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.868844 (E_RNA) where: Base-Base interactions energy: -28.314 where: short stacking energy: -25.723 Base-Backbone interact. energy: -0.105 local terms energy: -48.450135 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -218.236448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.236448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.236448 (E_RNA) where: Base-Base interactions energy: -140.221 where: short stacking energy: -67.173 Base-Backbone interact. energy: -0.065 local terms energy: -77.950708 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -16.716 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -20.977 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: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -216.681536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.681536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.681536 (E_RNA) where: Base-Base interactions energy: -150.942 where: short stacking energy: -62.858 Base-Backbone interact. energy: -0.019 local terms energy: -65.720744 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -203.536263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.536263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.536263 (E_RNA) where: Base-Base interactions energy: -133.817 where: short stacking energy: -59.734 Base-Backbone interact. energy: -0.351 local terms energy: -69.368641 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -16.222 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -13.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -206.511705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.511705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.511705 (E_RNA) where: Base-Base interactions energy: -134.937 where: short stacking energy: -62.798 Base-Backbone interact. energy: -0.003 local terms energy: -71.571766 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -9.270 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -200.561586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.561586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.561586 (E_RNA) where: Base-Base interactions energy: -129.288 where: short stacking energy: -63.714 Base-Backbone interact. energy: -1.097 local terms energy: -70.176904 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -10.348 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -19.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -196.875735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.875735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.875735 (E_RNA) where: Base-Base interactions energy: -124.070 where: short stacking energy: -56.494 Base-Backbone interact. energy: -0.171 local terms energy: -72.634605 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -14.595 flat angles C4'-P-C4' energy: -16.256 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -17.132 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: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -78.919324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.919324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.919324 (E_RNA) where: Base-Base interactions energy: -29.874 where: short stacking energy: -29.763 Base-Backbone interact. energy: -0.497 local terms energy: -48.548797 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -12.121 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -6.258 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: 8, replica: 8 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -93.054275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.054275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.054275 (E_RNA) where: Base-Base interactions energy: -55.288 where: short stacking energy: -33.219 Base-Backbone interact. energy: -0.052 local terms energy: -37.714073 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -1.717 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -76.540221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.540221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.540221 (E_RNA) where: Base-Base interactions energy: -25.577 where: short stacking energy: -22.920 Base-Backbone interact. energy: -0.120 local terms energy: -50.843080 where: bonds (distance) C4'-P energy: -16.253 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -10.804 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -1.943 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: 10, replica: 9 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -75.199746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.199746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.199746 (E_RNA) where: Base-Base interactions energy: -17.844 where: short stacking energy: -14.149 Base-Backbone interact. energy: -1.041 local terms energy: -56.315121 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -11.665 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -219.396879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.396879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.396879 (E_RNA) where: Base-Base interactions energy: -147.703 where: short stacking energy: -69.596 Base-Backbone interact. energy: -0.001 local terms energy: -71.693375 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -10.238 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -12.435 tors. eta vs tors. theta energy: -18.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -202.224931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.224931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.224931 (E_RNA) where: Base-Base interactions energy: -129.440 where: short stacking energy: -60.712 Base-Backbone interact. energy: -0.297 local terms energy: -72.487972 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -15.009 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -11.509 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: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -214.366510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.366510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.366510 (E_RNA) where: Base-Base interactions energy: -141.366 where: short stacking energy: -66.381 Base-Backbone interact. energy: -0.374 local terms energy: -72.627042 where: bonds (distance) C4'-P energy: -15.374 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -15.735 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -19.671 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: 4, replica: 5 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -197.771128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.771128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.771128 (E_RNA) where: Base-Base interactions energy: -120.402 where: short stacking energy: -59.305 Base-Backbone interact. energy: -0.099 local terms energy: -77.270591 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -17.253 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -18.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -208.802132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.802132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.802132 (E_RNA) where: Base-Base interactions energy: -140.968 where: short stacking energy: -58.343 Base-Backbone interact. energy: -2.732 local terms energy: -65.102205 where: bonds (distance) C4'-P energy: -8.678 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -16.164 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -16.728 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: 81 Temperature: 1.150000 Total energy: -193.250946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.250946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.250946 (E_RNA) where: Base-Base interactions energy: -132.362 where: short stacking energy: -46.998 Base-Backbone interact. energy: -0.211 local terms energy: -60.678401 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -12.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -84.151145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.151145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.151145 (E_RNA) where: Base-Base interactions energy: -30.041 where: short stacking energy: -25.620 Base-Backbone interact. energy: -0.147 local terms energy: -53.962832 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: 1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -82.896724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.896724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.896724 (E_RNA) where: Base-Base interactions energy: -29.251 where: short stacking energy: -26.326 Base-Backbone interact. energy: -0.221 local terms energy: -53.424807 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -2.898 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: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -84.362327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.362327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.362327 (E_RNA) where: Base-Base interactions energy: -41.456 where: short stacking energy: -24.777 Base-Backbone interact. energy: 1.974 local terms energy: -44.880247 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -8.766 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -82.703346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.703346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.703346 (E_RNA) where: Base-Base interactions energy: -27.352 where: short stacking energy: -25.524 Base-Backbone interact. energy: -1.960 local terms energy: -53.391793 where: bonds (distance) C4'-P energy: -9.557 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -12.314 tors. eta vs tors. theta energy: -6.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -226.221881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.221881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.221881 (E_RNA) where: Base-Base interactions energy: -144.507 where: short stacking energy: -65.364 Base-Backbone interact. energy: -2.524 local terms energy: -79.191433 where: bonds (distance) C4'-P energy: -15.194 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -16.541 flat angles P-C4'-P energy: -12.826 tors. eta vs tors. theta energy: -20.475 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: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -221.853259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.853259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.853259 (E_RNA) where: Base-Base interactions energy: -153.241 where: short stacking energy: -66.011 Base-Backbone interact. energy: -0.082 local terms energy: -68.529929 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -11.480 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -18.094 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: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -213.142608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.142608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.142608 (E_RNA) where: Base-Base interactions energy: -139.661 where: short stacking energy: -60.817 Base-Backbone interact. energy: -0.415 local terms energy: -73.066431 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -18.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -210.437844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.437844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.437844 (E_RNA) where: Base-Base interactions energy: -147.454 where: short stacking energy: -63.582 Base-Backbone interact. energy: -0.006 local terms energy: -62.977650 where: bonds (distance) C4'-P energy: -7.956 bonds (distance) P-C4' energy: -14.540 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -198.904838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.904838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.904838 (E_RNA) where: Base-Base interactions energy: -127.499 where: short stacking energy: -58.485 Base-Backbone interact. energy: -0.028 local terms energy: -71.377390 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -19.871 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: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -202.944119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.944119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.944119 (E_RNA) where: Base-Base interactions energy: -136.803 where: short stacking energy: -58.933 Base-Backbone interact. energy: -0.101 local terms energy: -66.039963 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -11.054 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: 7, replica: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -79.413058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.413058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.413058 (E_RNA) where: Base-Base interactions energy: -29.017 where: short stacking energy: -29.017 Base-Backbone interact. energy: -0.362 local terms energy: -50.034108 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -77.759296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.759296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.759296 (E_RNA) where: Base-Base interactions energy: -29.265 where: short stacking energy: -29.265 Base-Backbone interact. energy: -0.884 local terms energy: -47.610206 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -13.142 flat angles C4'-P-C4' energy: -9.431 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -2.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -82.219553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.219553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.219553 (E_RNA) where: Base-Base interactions energy: -29.201 where: short stacking energy: -27.727 Base-Backbone interact. energy: -0.882 local terms energy: -52.136151 where: bonds (distance) C4'-P energy: -10.849 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -7.444 tors. eta vs tors. theta energy: -5.318 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: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -68.292070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.292070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.292070 (E_RNA) where: Base-Base interactions energy: -31.210 where: short stacking energy: -25.784 Base-Backbone interact. energy: 0.866 local terms energy: -37.947232 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -1.137 tors. eta vs tors. theta energy: -2.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -209.460608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.460608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.460608 (E_RNA) where: Base-Base interactions energy: -135.434 where: short stacking energy: -57.648 Base-Backbone interact. energy: -0.275 local terms energy: -73.751278 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -218.380174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.380174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.380174 (E_RNA) where: Base-Base interactions energy: -149.467 where: short stacking energy: -67.417 Base-Backbone interact. energy: -0.055 local terms energy: -68.858142 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -16.835 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: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -206.311523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.311523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.311523 (E_RNA) where: Base-Base interactions energy: -139.521 where: short stacking energy: -63.267 Base-Backbone interact. energy: -0.006 local terms energy: -66.784735 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -11.436 tors. eta vs tors. theta energy: -15.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -207.281921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.281921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.281921 (E_RNA) where: Base-Base interactions energy: -145.374 where: short stacking energy: -51.444 Base-Backbone interact. energy: -0.121 local terms energy: -61.787067 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -15.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -208.339369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.339369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.339369 (E_RNA) where: Base-Base interactions energy: -135.647 where: short stacking energy: -62.986 Base-Backbone interact. energy: -2.531 local terms energy: -70.161936 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -18.623 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: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -200.286458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.286458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.286458 (E_RNA) where: Base-Base interactions energy: -133.177 where: short stacking energy: -56.054 Base-Backbone interact. energy: -0.472 local terms energy: -66.637740 where: bonds (distance) C4'-P energy: -12.542 bonds (distance) P-C4' energy: -9.007 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -13.593 tors. eta vs tors. theta energy: -15.563 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: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -89.795105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.795105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.795105 (E_RNA) where: Base-Base interactions energy: -36.442 where: short stacking energy: -36.442 Base-Backbone interact. energy: -0.108 local terms energy: -53.244780 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -7.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -111.893230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.893230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.893230 (E_RNA) where: Base-Base interactions energy: -60.679 where: short stacking energy: -25.149 Base-Backbone interact. energy: -0.164 local terms energy: -51.050825 where: bonds (distance) C4'-P energy: -12.563 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -10.708 tors. eta vs tors. theta energy: -1.545 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: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -78.918486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.918486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.918486 (E_RNA) where: Base-Base interactions energy: -35.949 where: short stacking energy: -31.407 Base-Backbone interact. energy: -0.048 local terms energy: -42.921356 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -10.272 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -4.387 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: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -91.610321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.610321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.610321 (E_RNA) where: Base-Base interactions energy: -34.734 where: short stacking energy: -28.130 Base-Backbone interact. energy: -1.047 local terms energy: -55.828760 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -10.451 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -224.138189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.138189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.138189 (E_RNA) where: Base-Base interactions energy: -150.960 where: short stacking energy: -60.878 Base-Backbone interact. energy: -0.006 local terms energy: -73.172925 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -9.787 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -215.195483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.195483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.195483 (E_RNA) where: Base-Base interactions energy: -142.750 where: short stacking energy: -70.191 Base-Backbone interact. energy: -0.007 local terms energy: -72.439195 where: bonds (distance) C4'-P energy: -14.442 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -22.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -214.711305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.711305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.711305 (E_RNA) where: Base-Base interactions energy: -155.668 where: short stacking energy: -60.174 Base-Backbone interact. energy: -0.033 local terms energy: -59.010444 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -12.346 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -14.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -201.881164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.881164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.881164 (E_RNA) where: Base-Base interactions energy: -132.062 where: short stacking energy: -53.737 Base-Backbone interact. energy: -0.084 local terms energy: -69.734473 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -16.553 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -197.058413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.058413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.058413 (E_RNA) where: Base-Base interactions energy: -130.213 where: short stacking energy: -53.871 Base-Backbone interact. energy: -0.045 local terms energy: -66.800220 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -14.967 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -14.700 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: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -201.435958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.435958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.435958 (E_RNA) where: Base-Base interactions energy: -131.568 where: short stacking energy: -57.672 Base-Backbone interact. energy: -0.063 local terms energy: -69.804778 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -90.615894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.615894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.615894 (E_RNA) where: Base-Base interactions energy: -41.475 where: short stacking energy: -23.319 Base-Backbone interact. energy: -0.019 local terms energy: -49.121929 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -78.238585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.238585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.238585 (E_RNA) where: Base-Base interactions energy: -32.884 where: short stacking energy: -24.818 Base-Backbone interact. energy: -0.196 local terms energy: -45.158488 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -9.727 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: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -82.257507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.257507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.257507 (E_RNA) where: Base-Base interactions energy: -39.819 where: short stacking energy: -25.260 Base-Backbone interact. energy: 2.916 local terms energy: -45.354518 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -10.776 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -12.555 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -69.263917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.263917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.263917 (E_RNA) where: Base-Base interactions energy: -20.807 where: short stacking energy: -20.807 Base-Backbone interact. energy: 0.196 local terms energy: -48.653289 where: bonds (distance) C4'-P energy: -9.294 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -10.148 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -215.640572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.640572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.640572 (E_RNA) where: Base-Base interactions energy: -138.063 where: short stacking energy: -60.305 Base-Backbone interact. energy: -0.699 local terms energy: -76.878504 where: bonds (distance) C4'-P energy: -15.900 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -17.049 flat angles P-C4'-P energy: -11.058 tors. eta vs tors. theta energy: -20.016 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: 5 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -218.000606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.000606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.000606 (E_RNA) where: Base-Base interactions energy: -148.500 where: short stacking energy: -52.712 Base-Backbone interact. energy: -0.179 local terms energy: -69.321227 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -14.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -214.925954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.925954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.925954 (E_RNA) where: Base-Base interactions energy: -141.271 where: short stacking energy: -67.409 Base-Backbone interact. energy: -2.095 local terms energy: -71.560320 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -9.297 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -21.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -204.154697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.154697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.154697 (E_RNA) where: Base-Base interactions energy: -131.338 where: short stacking energy: -56.196 Base-Backbone interact. energy: -0.204 local terms energy: -72.612489 where: bonds (distance) C4'-P energy: -15.407 bonds (distance) P-C4' energy: -15.539 flat angles C4'-P-C4' energy: -17.048 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -16.033 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: 3 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -203.053334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.053334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.053334 (E_RNA) where: Base-Base interactions energy: -133.186 where: short stacking energy: -60.142 Base-Backbone interact. energy: -2.469 local terms energy: -67.397904 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -190.873782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.873782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.873782 (E_RNA) where: Base-Base interactions energy: -119.478 where: short stacking energy: -50.577 Base-Backbone interact. energy: -0.025 local terms energy: -71.370596 where: bonds (distance) C4'-P energy: -16.571 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -12.413 tors. eta vs tors. theta energy: -19.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -83.124748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.124748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.124748 (E_RNA) where: Base-Base interactions energy: -37.068 where: short stacking energy: -26.715 Base-Backbone interact. energy: -0.365 local terms energy: -45.691795 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -4.722 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: 85 Temperature: 1.250000 Total energy: -96.253622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.253622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.253622 (E_RNA) where: Base-Base interactions energy: -40.080 where: short stacking energy: -36.092 Base-Backbone interact. energy: -0.249 local terms energy: -55.925058 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -9.436 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -9.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -77.987563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.987563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.987563 (E_RNA) where: Base-Base interactions energy: -30.637 where: short stacking energy: -30.637 Base-Backbone interact. energy: -0.088 local terms energy: -47.261747 where: bonds (distance) C4'-P energy: -9.646 bonds (distance) P-C4' energy: -9.730 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -6.959 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: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -65.945647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.945647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.945647 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.193 local terms energy: -37.786707 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -11.472 flat angles P-C4'-P energy: 0.294 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -231.196061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.196061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.196061 (E_RNA) where: Base-Base interactions energy: -168.844 where: short stacking energy: -55.714 Base-Backbone interact. energy: -0.080 local terms energy: -62.272549 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -212.000233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.000233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.000233 (E_RNA) where: Base-Base interactions energy: -139.541 where: short stacking energy: -66.016 Base-Backbone interact. energy: -0.008 local terms energy: -72.451070 where: bonds (distance) C4'-P energy: -11.979 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -20.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -212.764508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.764508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.764508 (E_RNA) where: Base-Base interactions energy: -149.098 where: short stacking energy: -61.967 Base-Backbone interact. energy: -0.141 local terms energy: -63.525559 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -16.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -211.730695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.730695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.730695 (E_RNA) where: Base-Base interactions energy: -141.229 where: short stacking energy: -70.802 Base-Backbone interact. energy: -0.244 local terms energy: -70.256808 where: bonds (distance) C4'-P energy: -13.080 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -16.625 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -213.850849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.850849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.850849 (E_RNA) where: Base-Base interactions energy: -143.296 where: short stacking energy: -63.740 Base-Backbone interact. energy: -0.066 local terms energy: -70.488568 where: bonds (distance) C4'-P energy: -8.454 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -17.262 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -20.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -198.708449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.708449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.708449 (E_RNA) where: Base-Base interactions energy: -132.941 where: short stacking energy: -59.201 Base-Backbone interact. energy: -0.096 local terms energy: -65.671383 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -18.154 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: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -92.008324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.008324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.008324 (E_RNA) where: Base-Base interactions energy: -39.952 where: short stacking energy: -18.406 Base-Backbone interact. energy: 1.756 local terms energy: -53.812135 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -16.520 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -11.560 tors. eta vs tors. theta energy: -2.690 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: 9 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -88.370700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.370700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.370700 (E_RNA) where: Base-Base interactions energy: -34.677 where: short stacking energy: -34.677 Base-Backbone interact. energy: -0.022 local terms energy: -53.672039 where: bonds (distance) C4'-P energy: -15.346 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -8.448 tors. eta vs tors. theta energy: -3.646 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: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -73.671870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.671870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.671870 (E_RNA) where: Base-Base interactions energy: -33.306 where: short stacking energy: -28.052 Base-Backbone interact. energy: -0.146 local terms energy: -40.219702 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -9.236 tors. eta vs tors. theta energy: 1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -70.033246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.033246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.033246 (E_RNA) where: Base-Base interactions energy: -23.471 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.187 local terms energy: -46.375306 where: bonds (distance) C4'-P energy: -11.851 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -12.373 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: 3.306 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: 87 Temperature: 0.900000 Total energy: -218.668760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.668760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.668760 (E_RNA) where: Base-Base interactions energy: -148.020 where: short stacking energy: -53.131 Base-Backbone interact. energy: -0.098 local terms energy: -70.550479 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -17.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -215.667256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.667256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.667256 (E_RNA) where: Base-Base interactions energy: -142.419 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.041 local terms energy: -73.206669 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -11.509 tors. eta vs tors. theta energy: -20.162 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: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -213.590741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.590741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.590741 (E_RNA) where: Base-Base interactions energy: -135.654 where: short stacking energy: -62.266 Base-Backbone interact. energy: -0.301 local terms energy: -77.636448 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -20.423 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: 3 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -206.695700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.695700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.695700 (E_RNA) where: Base-Base interactions energy: -139.617 where: short stacking energy: -70.000 Base-Backbone interact. energy: -0.005 local terms energy: -67.074220 where: bonds (distance) C4'-P energy: -11.133 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -20.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -206.710434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.710434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.710434 (E_RNA) where: Base-Base interactions energy: -136.242 where: short stacking energy: -64.627 Base-Backbone interact. energy: -0.001 local terms energy: -70.467680 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -11.563 flat angles C4'-P-C4' energy: -16.661 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: -20.243 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: 7 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -198.662515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.662515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.662515 (E_RNA) where: Base-Base interactions energy: -130.909 where: short stacking energy: -59.837 Base-Backbone interact. energy: -0.006 local terms energy: -67.748186 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -12.317 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -16.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -84.598805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.598805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.598805 (E_RNA) where: Base-Base interactions energy: -42.586 where: short stacking energy: -24.700 Base-Backbone interact. energy: 0.327 local terms energy: -42.340183 where: bonds (distance) C4'-P energy: -8.421 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -11.254 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -0.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -91.419658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.419658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.419658 (E_RNA) where: Base-Base interactions energy: -36.898 where: short stacking energy: -37.298 Base-Backbone interact. energy: -0.245 local terms energy: -54.277161 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -15.771 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -8.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -93.239881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.239881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.239881 (E_RNA) where: Base-Base interactions energy: -35.760 where: short stacking energy: -33.634 Base-Backbone interact. energy: -0.054 local terms energy: -57.426130 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -85.297005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.297005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.297005 (E_RNA) where: Base-Base interactions energy: -32.921 where: short stacking energy: -32.147 Base-Backbone interact. energy: -0.002 local terms energy: -52.374419 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -13.622 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -226.630076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.630076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.630076 (E_RNA) where: Base-Base interactions energy: -149.901 where: short stacking energy: -59.134 Base-Backbone interact. energy: 0.218 local terms energy: -76.946744 where: bonds (distance) C4'-P energy: -17.362 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -17.425 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: 5 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -215.876735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.876735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.876735 (E_RNA) where: Base-Base interactions energy: -147.857 where: short stacking energy: -56.629 Base-Backbone interact. energy: -0.340 local terms energy: -67.679956 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -16.305 flat angles C4'-P-C4' energy: -16.665 flat angles P-C4'-P energy: -9.202 tors. eta vs tors. theta energy: -14.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -217.042544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.042544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.042544 (E_RNA) where: Base-Base interactions energy: -140.683 where: short stacking energy: -59.783 Base-Backbone interact. energy: -0.000 local terms energy: -76.359189 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -16.318 flat angles P-C4'-P energy: -9.791 tors. eta vs tors. theta energy: -20.205 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: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -214.557011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.557011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.557011 (E_RNA) where: Base-Base interactions energy: -138.178 where: short stacking energy: -65.557 Base-Backbone interact. energy: -0.004 local terms energy: -76.375050 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -17.365 flat angles C4'-P-C4' energy: -15.354 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -19.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -204.799037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.799037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.799037 (E_RNA) where: Base-Base interactions energy: -136.965 where: short stacking energy: -56.983 Base-Backbone interact. energy: -0.007 local terms energy: -67.826688 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -12.515 tors. eta vs tors. theta energy: -15.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -210.061520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.061520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.061520 (E_RNA) where: Base-Base interactions energy: -141.594 where: short stacking energy: -60.187 Base-Backbone interact. energy: 0.226 local terms energy: -68.693184 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -12.327 flat angles C4'-P-C4' energy: -16.608 flat angles P-C4'-P energy: -12.794 tors. eta vs tors. theta energy: -15.970 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: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -92.252595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.252595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.252595 (E_RNA) where: Base-Base interactions energy: -38.701 where: short stacking energy: -29.890 Base-Backbone interact. energy: -0.538 local terms energy: -53.013562 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -122.429840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.429840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.429840 (E_RNA) where: Base-Base interactions energy: -70.566 where: short stacking energy: -36.053 Base-Backbone interact. energy: -0.804 local terms energy: -51.060444 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -5.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -84.183887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.183887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.183887 (E_RNA) where: Base-Base interactions energy: -33.556 where: short stacking energy: -31.514 Base-Backbone interact. energy: -0.107 local terms energy: -50.520999 where: bonds (distance) C4'-P energy: -15.644 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -76.329710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.329710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.329710 (E_RNA) where: Base-Base interactions energy: -22.024 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.135 local terms energy: -54.170979 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -8.109 tors. eta vs tors. theta energy: -4.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -225.166451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.166451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.166451 (E_RNA) where: Base-Base interactions energy: -146.552 where: short stacking energy: -66.906 Base-Backbone interact. energy: -2.168 local terms energy: -76.446148 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -16.974 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -19.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -209.750233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.750233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.750233 (E_RNA) where: Base-Base interactions energy: -134.156 where: short stacking energy: -61.719 Base-Backbone interact. energy: -0.003 local terms energy: -75.591042 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -12.272 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -12.443 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: 3, replica: 5 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -217.661538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.661538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.661538 (E_RNA) where: Base-Base interactions energy: -145.361 where: short stacking energy: -70.409 Base-Backbone interact. energy: -0.001 local terms energy: -72.299888 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -9.245 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -203.862992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.862992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.862992 (E_RNA) where: Base-Base interactions energy: -125.230 where: short stacking energy: -55.328 Base-Backbone interact. energy: -0.305 local terms energy: -78.328049 where: bonds (distance) C4'-P energy: -14.406 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -17.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -207.029387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.029387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.029387 (E_RNA) where: Base-Base interactions energy: -130.778 where: short stacking energy: -55.910 Base-Backbone interact. energy: -2.643 local terms energy: -73.608262 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -9.578 tors. eta vs tors. theta energy: -18.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -196.384937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.384937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.384937 (E_RNA) where: Base-Base interactions energy: -129.929 where: short stacking energy: -56.506 Base-Backbone interact. energy: -0.159 local terms energy: -66.296702 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -84.312408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.312408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.312408 (E_RNA) where: Base-Base interactions energy: -35.498 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.101 local terms energy: -48.713671 where: bonds (distance) C4'-P energy: -14.287 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -10.494 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -147.415636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.415636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.415636 (E_RNA) where: Base-Base interactions energy: -91.300 where: short stacking energy: -38.761 Base-Backbone interact. energy: -0.139 local terms energy: -55.976506 where: bonds (distance) C4'-P energy: -10.437 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -15.415 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: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -73.795594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.795594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.795594 (E_RNA) where: Base-Base interactions energy: -25.265 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.073 local terms energy: -48.458002 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -11.698 flat angles P-C4'-P energy: -7.438 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -78.877681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.877681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.877681 (E_RNA) where: Base-Base interactions energy: -22.614 where: short stacking energy: -20.063 Base-Backbone interact. energy: -0.040 local terms energy: -56.223281 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -7.195 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: 1, replica: 6 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -217.608133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.608133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.608133 (E_RNA) where: Base-Base interactions energy: -147.255 where: short stacking energy: -64.886 Base-Backbone interact. energy: -0.001 local terms energy: -70.352126 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -15.418 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -19.092 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: 90 Temperature: 0.950000 Total energy: -220.903767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.903767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.903767 (E_RNA) where: Base-Base interactions energy: -147.555 where: short stacking energy: -53.207 Base-Backbone interact. energy: -0.428 local terms energy: -72.921554 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -9.644 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: 3, replica: 7 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -213.134335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.134335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.134335 (E_RNA) where: Base-Base interactions energy: -148.993 where: short stacking energy: -61.094 Base-Backbone interact. energy: -0.112 local terms energy: -64.029425 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -17.108 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -208.947149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.947149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.947149 (E_RNA) where: Base-Base interactions energy: -132.985 where: short stacking energy: -58.058 Base-Backbone interact. energy: -0.015 local terms energy: -75.947931 where: bonds (distance) C4'-P energy: -15.974 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -9.824 tors. eta vs tors. theta energy: -19.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -199.285783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.285783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.285783 (E_RNA) where: Base-Base interactions energy: -139.258 where: short stacking energy: -63.345 Base-Backbone interact. energy: 2.215 local terms energy: -62.242693 where: bonds (distance) C4'-P energy: -8.838 bonds (distance) P-C4' energy: -11.862 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -12.132 tors. eta vs tors. theta energy: -14.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -193.221260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.221260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.221260 (E_RNA) where: Base-Base interactions energy: -120.356 where: short stacking energy: -52.802 Base-Backbone interact. energy: -0.580 local terms energy: -72.285103 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -10.950 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -189.078585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.078585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.078585 (E_RNA) where: Base-Base interactions energy: -126.220 where: short stacking energy: -52.512 Base-Backbone interact. energy: -0.057 local terms energy: -62.800849 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -12.995 flat angles C4'-P-C4' energy: -10.473 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -16.301 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: 9 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -95.581835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.581835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.581835 (E_RNA) where: Base-Base interactions energy: -46.713 where: short stacking energy: -32.144 Base-Backbone interact. energy: 0.104 local terms energy: -48.973001 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -11.296 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -4.179 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: 4 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -80.681182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.681182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.681182 (E_RNA) where: Base-Base interactions energy: -36.082 where: short stacking energy: -26.148 Base-Backbone interact. energy: -0.075 local terms energy: -44.523420 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -16.449 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -3.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -77.047028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.047028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.047028 (E_RNA) where: Base-Base interactions energy: -34.121 where: short stacking energy: -21.490 Base-Backbone interact. energy: -0.204 local terms energy: -42.722172 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -11.036 flat angles P-C4'-P energy: -1.092 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -221.596410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.596410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.596410 (E_RNA) where: Base-Base interactions energy: -150.160 where: short stacking energy: -65.670 Base-Backbone interact. energy: -0.032 local terms energy: -71.404608 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -17.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -215.699366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.699366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.699366 (E_RNA) where: Base-Base interactions energy: -143.392 where: short stacking energy: -64.809 Base-Backbone interact. energy: -0.003 local terms energy: -72.304313 where: bonds (distance) C4'-P energy: -16.314 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -9.524 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: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -209.677352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.677352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.677352 (E_RNA) where: Base-Base interactions energy: -142.816 where: short stacking energy: -54.350 Base-Backbone interact. energy: -0.199 local terms energy: -66.662603 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -16.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -217.872895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.872895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.872895 (E_RNA) where: Base-Base interactions energy: -139.221 where: short stacking energy: -67.583 Base-Backbone interact. energy: -2.656 local terms energy: -75.996103 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -12.840 tors. eta vs tors. theta energy: -21.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -205.827457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.827457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.827457 (E_RNA) where: Base-Base interactions energy: -132.384 where: short stacking energy: -63.021 Base-Backbone interact. energy: 1.397 local terms energy: -74.840725 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -17.010 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -17.992 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: 91 Temperature: 1.150000 Total energy: -193.686532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.686532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.686532 (E_RNA) where: Base-Base interactions energy: -133.909 where: short stacking energy: -49.534 Base-Backbone interact. energy: -0.073 local terms energy: -59.704978 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -14.733 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -188.953258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.953258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.953258 (E_RNA) where: Base-Base interactions energy: -130.240 where: short stacking energy: -51.357 Base-Backbone interact. energy: 0.285 local terms energy: -58.997895 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -8.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -78.962026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.962026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.962026 (E_RNA) where: Base-Base interactions energy: -24.519 where: short stacking energy: -24.519 Base-Backbone interact. energy: -0.066 local terms energy: -54.377175 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -3.943 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: 9 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -81.890108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.890108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.890108 (E_RNA) where: Base-Base interactions energy: -35.570 where: short stacking energy: -30.451 Base-Backbone interact. energy: -0.022 local terms energy: -46.298161 where: bonds (distance) C4'-P energy: -11.376 bonds (distance) P-C4' energy: -10.984 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -8.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -73.199797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.199797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.199797 (E_RNA) where: Base-Base interactions energy: -27.342 where: short stacking energy: -25.314 Base-Backbone interact. energy: -0.127 local terms energy: -45.730944 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -219.716632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.716632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.716632 (E_RNA) where: Base-Base interactions energy: -145.274 where: short stacking energy: -66.864 Base-Backbone interact. energy: -1.557 local terms energy: -72.885618 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.183 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -18.899 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: 6 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -214.789153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.789153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.789153 (E_RNA) where: Base-Base interactions energy: -136.338 where: short stacking energy: -64.218 Base-Backbone interact. energy: -1.534 local terms energy: -76.916772 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -16.815 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -19.242 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: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -211.544402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.544402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.544402 (E_RNA) where: Base-Base interactions energy: -135.661 where: short stacking energy: -63.735 Base-Backbone interact. energy: 1.864 local terms energy: -77.747855 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -17.733 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -213.770037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.770037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.770037 (E_RNA) where: Base-Base interactions energy: -140.480 where: short stacking energy: -67.202 Base-Backbone interact. energy: -0.612 local terms energy: -72.678574 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -10.197 flat angles C4'-P-C4' energy: -14.656 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -21.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -207.288083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.288083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.288083 (E_RNA) where: Base-Base interactions energy: -141.082 where: short stacking energy: -55.102 Base-Backbone interact. energy: -0.214 local terms energy: -65.991977 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -14.478 flat angles P-C4'-P energy: -10.882 tors. eta vs tors. theta energy: -15.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -198.588244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.588244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.588244 (E_RNA) where: Base-Base interactions energy: -129.642 where: short stacking energy: -58.035 Base-Backbone interact. energy: -0.017 local terms energy: -68.928647 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -15.260 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -12.516 tors. eta vs tors. theta energy: -15.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -202.406928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.406928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.406928 (E_RNA) where: Base-Base interactions energy: -142.269 where: short stacking energy: -53.173 Base-Backbone interact. energy: 1.591 local terms energy: -61.728645 where: bonds (distance) C4'-P energy: -16.634 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -8.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -76.315916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.315916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.315916 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -14.563 Base-Backbone interact. energy: 0.082 local terms energy: -54.794245 where: bonds (distance) C4'-P energy: -15.201 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -77.509496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.509496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.509496 (E_RNA) where: Base-Base interactions energy: -36.280 where: short stacking energy: -28.671 Base-Backbone interact. energy: -1.683 local terms energy: -39.547217 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -7.133 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -80.775388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.775388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.775388 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -27.422 Base-Backbone interact. energy: -0.768 local terms energy: -48.442234 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -12.110 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -223.016722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.016722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.016722 (E_RNA) where: Base-Base interactions energy: -150.129 where: short stacking energy: -63.626 Base-Backbone interact. energy: -1.539 local terms energy: -71.348801 where: bonds (distance) C4'-P energy: -14.926 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -12.201 tors. eta vs tors. theta energy: -15.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -224.070172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.070172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.070172 (E_RNA) where: Base-Base interactions energy: -152.672 where: short stacking energy: -69.737 Base-Backbone interact. energy: -0.297 local terms energy: -71.100671 where: bonds (distance) C4'-P energy: -12.076 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -13.962 tors. eta vs tors. theta energy: -18.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -206.328737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.328737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.328737 (E_RNA) where: Base-Base interactions energy: -130.403 where: short stacking energy: -56.417 Base-Backbone interact. energy: 1.492 local terms energy: -77.417781 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -12.006 tors. eta vs tors. theta energy: -19.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -208.542681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.542681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.542681 (E_RNA) where: Base-Base interactions energy: -137.780 where: short stacking energy: -59.361 Base-Backbone interact. energy: -0.005 local terms energy: -70.758072 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -16.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -215.802561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.802561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.802561 (E_RNA) where: Base-Base interactions energy: -145.003 where: short stacking energy: -61.953 Base-Backbone interact. energy: -0.016 local terms energy: -70.783993 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -16.471 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -201.395353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.395353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.395353 (E_RNA) where: Base-Base interactions energy: -129.436 where: short stacking energy: -57.111 Base-Backbone interact. energy: -0.342 local terms energy: -71.617379 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -11.715 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -20.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -187.980309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.980309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.980309 (E_RNA) where: Base-Base interactions energy: -126.690 where: short stacking energy: -58.575 Base-Backbone interact. energy: -0.030 local terms energy: -61.260629 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -14.578 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: 9 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -108.631631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.631631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.631631 (E_RNA) where: Base-Base interactions energy: -58.792 where: short stacking energy: -28.860 Base-Backbone interact. energy: -0.357 local terms energy: -49.482756 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -9.246 tors. eta vs tors. theta energy: -2.105 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: 4 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -86.596017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.596017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.596017 (E_RNA) where: Base-Base interactions energy: -45.052 where: short stacking energy: -21.824 Base-Backbone interact. energy: -0.227 local terms energy: -41.317908 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -11.155 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: 1.927 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: 10, replica: 8 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -71.188988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.188988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.188988 (E_RNA) where: Base-Base interactions energy: -23.083 where: short stacking energy: -18.021 Base-Backbone interact. energy: -0.299 local terms energy: -47.807959 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: 6.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -220.922650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.922650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.922650 (E_RNA) where: Base-Base interactions energy: -152.438 where: short stacking energy: -59.949 Base-Backbone interact. energy: -0.108 local terms energy: -68.376257 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -11.638 flat angles C4'-P-C4' energy: -16.573 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -220.379362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.379362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.379362 (E_RNA) where: Base-Base interactions energy: -148.856 where: short stacking energy: -64.236 Base-Backbone interact. energy: 0.111 local terms energy: -71.634284 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -14.043 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -10.039 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: 3, replica: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -217.631167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.631167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.631167 (E_RNA) where: Base-Base interactions energy: -147.466 where: short stacking energy: -66.801 Base-Backbone interact. energy: -0.026 local terms energy: -70.138899 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -19.088 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: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -200.824818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.824818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.824818 (E_RNA) where: Base-Base interactions energy: -137.765 where: short stacking energy: -62.173 Base-Backbone interact. energy: -0.490 local terms energy: -62.569001 where: bonds (distance) C4'-P energy: -8.536 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -10.737 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -18.104 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: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -204.358876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.358876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.358876 (E_RNA) where: Base-Base interactions energy: -131.761 where: short stacking energy: -60.789 Base-Backbone interact. energy: -0.008 local terms energy: -72.589735 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -12.049 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -18.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -204.035274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.035274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.035274 (E_RNA) where: Base-Base interactions energy: -149.597 where: short stacking energy: -56.391 Base-Backbone interact. energy: -0.150 local terms energy: -54.289081 where: bonds (distance) C4'-P energy: -8.088 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: -13.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -185.455893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.455893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.455893 (E_RNA) where: Base-Base interactions energy: -124.502 where: short stacking energy: -57.171 Base-Backbone interact. energy: -0.179 local terms energy: -60.775707 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -10.102 flat angles P-C4'-P energy: -11.734 tors. eta vs tors. theta energy: -12.613 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: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -84.139997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.139997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.139997 (E_RNA) where: Base-Base interactions energy: -41.838 where: short stacking energy: -34.667 Base-Backbone interact. energy: -0.018 local terms energy: -42.283910 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -9.984 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -2.644 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: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -72.601031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.601031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.601031 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -20.312 Base-Backbone interact. energy: -0.427 local terms energy: -44.619709 where: bonds (distance) C4'-P energy: -8.800 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -72.811662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.811662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.811662 (E_RNA) where: Base-Base interactions energy: -25.629 where: short stacking energy: -23.551 Base-Backbone interact. energy: -0.723 local terms energy: -46.459100 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -0.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -220.200462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.200462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.200462 (E_RNA) where: Base-Base interactions energy: -145.814 where: short stacking energy: -64.283 Base-Backbone interact. energy: -2.386 local terms energy: -72.000063 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -16.441 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -19.530 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: 7 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -219.869416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.869416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.869416 (E_RNA) where: Base-Base interactions energy: -141.879 where: short stacking energy: -67.634 Base-Backbone interact. energy: -0.027 local terms energy: -77.963268 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -14.785 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -12.105 tors. eta vs tors. theta energy: -22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -216.454326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.454326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.454326 (E_RNA) where: Base-Base interactions energy: -141.503 where: short stacking energy: -62.311 Base-Backbone interact. energy: -0.006 local terms energy: -74.945452 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -14.651 flat angles P-C4'-P energy: -8.621 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -206.694186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.694186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.694186 (E_RNA) where: Base-Base interactions energy: -133.668 where: short stacking energy: -61.446 Base-Backbone interact. energy: -0.073 local terms energy: -72.952998 where: bonds (distance) C4'-P energy: -16.657 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -202.699196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.699196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.699196 (E_RNA) where: Base-Base interactions energy: -134.397 where: short stacking energy: -60.791 Base-Backbone interact. energy: -0.016 local terms energy: -68.285881 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -17.527 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -16.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -195.047794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.047794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.047794 (E_RNA) where: Base-Base interactions energy: -122.633 where: short stacking energy: -55.859 Base-Backbone interact. energy: -0.321 local terms energy: -72.094530 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -16.228 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -18.113 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: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -187.275495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.275495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.275495 (E_RNA) where: Base-Base interactions energy: -116.735 where: short stacking energy: -53.471 Base-Backbone interact. energy: -0.014 local terms energy: -70.526270 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -17.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -77.063887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.063887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.063887 (E_RNA) where: Base-Base interactions energy: -28.396 where: short stacking energy: -20.525 Base-Backbone interact. energy: 0.013 local terms energy: -48.681045 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -8.427 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -74.509473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.509473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.509473 (E_RNA) where: Base-Base interactions energy: -31.039 where: short stacking energy: -26.544 Base-Backbone interact. energy: -0.712 local terms energy: -42.758329 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -11.298 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -82.568728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.568728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.568728 (E_RNA) where: Base-Base interactions energy: -36.548 where: short stacking energy: -34.263 Base-Backbone interact. energy: -0.168 local terms energy: -45.851861 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -11.413 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: 0.614 tors. eta vs tors. theta energy: -9.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -216.144881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.144881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.144881 (E_RNA) where: Base-Base interactions energy: -146.556 where: short stacking energy: -58.821 Base-Backbone interact. energy: 2.872 local terms energy: -72.460914 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -16.579 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -17.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -215.690578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.690578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.690578 (E_RNA) where: Base-Base interactions energy: -142.142 where: short stacking energy: -63.128 Base-Backbone interact. energy: -0.387 local terms energy: -73.161023 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -20.607 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: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -217.384777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.384777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.384777 (E_RNA) where: Base-Base interactions energy: -149.726 where: short stacking energy: -55.720 Base-Backbone interact. energy: -0.557 local terms energy: -67.101193 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -12.133 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -18.529 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: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -209.579434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.579434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.579434 (E_RNA) where: Base-Base interactions energy: -136.726 where: short stacking energy: -62.289 Base-Backbone interact. energy: -1.906 local terms energy: -70.947073 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -13.200 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -17.638 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: 5 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -205.759256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.759256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.759256 (E_RNA) where: Base-Base interactions energy: -135.586 where: short stacking energy: -61.247 Base-Backbone interact. energy: -0.804 local terms energy: -69.369610 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -20.341 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: 96 Temperature: 1.150000 Total energy: -196.864951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.864951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.864951 (E_RNA) where: Base-Base interactions energy: -129.714 where: short stacking energy: -65.809 Base-Backbone interact. energy: -0.008 local terms energy: -67.142785 where: bonds (distance) C4'-P energy: -10.390 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -17.385 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: 96 Temperature: 1.200000 Total energy: -197.733893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.733893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.733893 (E_RNA) where: Base-Base interactions energy: -127.461 where: short stacking energy: -59.445 Base-Backbone interact. energy: -0.110 local terms energy: -70.163128 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -10.870 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -73.424206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.424206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.424206 (E_RNA) where: Base-Base interactions energy: -24.134 where: short stacking energy: -21.105 Base-Backbone interact. energy: -0.084 local terms energy: -49.206932 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -0.053 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: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -75.197645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.197645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.197645 (E_RNA) where: Base-Base interactions energy: -30.307 where: short stacking energy: -19.457 Base-Backbone interact. energy: -0.169 local terms energy: -44.720689 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: 1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -66.716435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.716435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.716435 (E_RNA) where: Base-Base interactions energy: -22.473 where: short stacking energy: -20.582 Base-Backbone interact. energy: -0.164 local terms energy: -44.079933 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -17.256 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: 0.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -224.896025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.896025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.896025 (E_RNA) where: Base-Base interactions energy: -151.235 where: short stacking energy: -59.591 Base-Backbone interact. energy: -1.061 local terms energy: -72.600302 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -214.699573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.699573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.699573 (E_RNA) where: Base-Base interactions energy: -136.560 where: short stacking energy: -61.035 Base-Backbone interact. energy: -0.008 local terms energy: -78.131413 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -20.915 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: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -212.680429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.680429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.680429 (E_RNA) where: Base-Base interactions energy: -148.587 where: short stacking energy: -56.165 Base-Backbone interact. energy: -0.885 local terms energy: -63.208349 where: bonds (distance) C4'-P energy: -11.301 bonds (distance) P-C4' energy: -16.743 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -203.656140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.656140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.656140 (E_RNA) where: Base-Base interactions energy: -129.855 where: short stacking energy: -58.218 Base-Backbone interact. energy: 0.168 local terms energy: -73.968430 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -18.682 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: 97 Temperature: 1.100000 Total energy: -204.068449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.068449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.068449 (E_RNA) where: Base-Base interactions energy: -130.069 where: short stacking energy: -60.576 Base-Backbone interact. energy: -0.550 local terms energy: -73.449233 where: bonds (distance) C4'-P energy: -11.225 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -12.157 tors. eta vs tors. theta energy: -20.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -195.260640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.260640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.260640 (E_RNA) where: Base-Base interactions energy: -133.267 where: short stacking energy: -55.391 Base-Backbone interact. energy: -0.006 local terms energy: -61.987714 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -184.569649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.569649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.569649 (E_RNA) where: Base-Base interactions energy: -117.984 where: short stacking energy: -49.442 Base-Backbone interact. energy: -0.961 local terms energy: -65.625194 where: bonds (distance) C4'-P energy: -17.432 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -15.556 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: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -75.346731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.346731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.346731 (E_RNA) where: Base-Base interactions energy: -29.897 where: short stacking energy: -29.087 Base-Backbone interact. energy: 0.848 local terms energy: -46.297342 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -11.726 flat angles C4'-P-C4' energy: -10.036 flat angles P-C4'-P energy: -11.196 tors. eta vs tors. theta energy: 0.392 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: 9 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -70.672699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.672699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.672699 (E_RNA) where: Base-Base interactions energy: -19.556 where: short stacking energy: -13.758 Base-Backbone interact. energy: -1.128 local terms energy: -49.989254 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -15.066 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: 1.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -89.599536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.599536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.599536 (E_RNA) where: Base-Base interactions energy: -51.256 where: short stacking energy: -18.729 Base-Backbone interact. energy: -0.575 local terms energy: -37.768334 where: bonds (distance) C4'-P energy: -10.088 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -3.252 tors. eta vs tors. theta energy: 0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -224.303436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.303436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.303436 (E_RNA) where: Base-Base interactions energy: -151.274 where: short stacking energy: -65.675 Base-Backbone interact. energy: -2.050 local terms energy: -70.979522 where: bonds (distance) C4'-P energy: -12.170 bonds (distance) P-C4' energy: -13.090 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -12.120 tors. eta vs tors. theta energy: -18.800 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: 7 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -210.281279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.281279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.281279 (E_RNA) where: Base-Base interactions energy: -148.000 where: short stacking energy: -55.862 Base-Backbone interact. energy: -0.218 local terms energy: -62.062927 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -17.115 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -10.143 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -215.999532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.999532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.999532 (E_RNA) where: Base-Base interactions energy: -146.731 where: short stacking energy: -55.317 Base-Backbone interact. energy: -0.098 local terms energy: -69.170637 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -16.280 flat angles C4'-P-C4' energy: -12.788 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -16.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -209.645614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.645614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.645614 (E_RNA) where: Base-Base interactions energy: -138.845 where: short stacking energy: -69.085 Base-Backbone interact. energy: -1.368 local terms energy: -69.432718 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -7.835 tors. eta vs tors. theta energy: -21.122 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: 3 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -197.154671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.154671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.154671 (E_RNA) where: Base-Base interactions energy: -128.244 where: short stacking energy: -58.189 Base-Backbone interact. energy: -0.030 local terms energy: -68.880565 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -10.347 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -20.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -202.748995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.748995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.748995 (E_RNA) where: Base-Base interactions energy: -130.129 where: short stacking energy: -59.220 Base-Backbone interact. energy: -0.041 local terms energy: -72.579123 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -183.827910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.827910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.827910 (E_RNA) where: Base-Base interactions energy: -119.567 where: short stacking energy: -56.368 Base-Backbone interact. energy: -0.380 local terms energy: -63.881183 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -16.174 flat angles C4'-P-C4' energy: -9.922 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -12.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -76.565170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.565170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.565170 (E_RNA) where: Base-Base interactions energy: -33.591 where: short stacking energy: -23.714 Base-Backbone interact. energy: -0.463 local terms energy: -42.510966 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -11.651 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: 0.645 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: 4 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -101.591570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.591570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.591570 (E_RNA) where: Base-Base interactions energy: -54.479 where: short stacking energy: -28.977 Base-Backbone interact. energy: -0.309 local terms energy: -46.803471 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -3.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -84.066721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.066721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.066721 (E_RNA) where: Base-Base interactions energy: -38.783 where: short stacking energy: -20.443 Base-Backbone interact. energy: -0.243 local terms energy: -45.040578 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -10.194 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -1.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -219.090583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.090583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.090583 (E_RNA) where: Base-Base interactions energy: -135.158 where: short stacking energy: -65.414 Base-Backbone interact. energy: -2.735 local terms energy: -81.196853 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -13.544 tors. eta vs tors. theta energy: -20.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -218.263268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.263268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.263268 (E_RNA) where: Base-Base interactions energy: -155.372 where: short stacking energy: -56.324 Base-Backbone interact. energy: -0.127 local terms energy: -62.764529 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -12.199 tors. eta vs tors. theta energy: -14.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -208.464116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.464116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.464116 (E_RNA) where: Base-Base interactions energy: -139.042 where: short stacking energy: -52.355 Base-Backbone interact. energy: -0.099 local terms energy: -69.322859 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -16.308 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -13.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -221.797194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.797194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.797194 (E_RNA) where: Base-Base interactions energy: -145.351 where: short stacking energy: -68.645 Base-Backbone interact. energy: -1.850 local terms energy: -74.596513 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -21.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -203.127663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.127663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.127663 (E_RNA) where: Base-Base interactions energy: -135.846 where: short stacking energy: -55.684 Base-Backbone interact. energy: -1.438 local terms energy: -65.843778 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -18.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -190.235798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.235798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.235798 (E_RNA) where: Base-Base interactions energy: -124.012 where: short stacking energy: -55.072 Base-Backbone interact. energy: -0.119 local terms energy: -66.104568 where: bonds (distance) C4'-P energy: -13.242 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -14.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -190.501205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.501205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.501205 (E_RNA) where: Base-Base interactions energy: -129.964 where: short stacking energy: -52.164 Base-Backbone interact. energy: -0.274 local terms energy: -60.264081 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -9.861 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -18.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -82.069790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.069790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.069790 (E_RNA) where: Base-Base interactions energy: -33.274 where: short stacking energy: -33.274 Base-Backbone interact. energy: -0.214 local terms energy: -48.581762 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -5.306 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: 8 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -75.575001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.575001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.575001 (E_RNA) where: Base-Base interactions energy: -30.424 where: short stacking energy: -23.498 Base-Backbone interact. energy: -0.026 local terms energy: -45.124969 where: bonds (distance) C4'-P energy: -10.664 bonds (distance) P-C4' energy: -10.947 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -7.894 tors. eta vs tors. theta energy: -4.592 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: 10, replica: 9 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -71.549604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.549604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.549604 (E_RNA) where: Base-Base interactions energy: -28.411 where: short stacking energy: -27.327 Base-Backbone interact. energy: -0.123 local terms energy: -43.015159 where: bonds (distance) C4'-P energy: -13.161 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -1.903 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: 1, replica: 2 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -218.814198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.814198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.814198 (E_RNA) where: Base-Base interactions energy: -157.062 where: short stacking energy: -57.170 Base-Backbone interact. energy: -0.469 local terms energy: -61.282753 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -9.631 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -12.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -218.562275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.562275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.562275 (E_RNA) where: Base-Base interactions energy: -142.279 where: short stacking energy: -60.259 Base-Backbone interact. energy: -0.064 local terms energy: -76.219709 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -11.065 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -215.104369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.104369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.104369 (E_RNA) where: Base-Base interactions energy: -135.747 where: short stacking energy: -66.442 Base-Backbone interact. energy: -3.703 local terms energy: -75.655054 where: bonds (distance) C4'-P energy: -16.142 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -22.014 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: 4, replica: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -209.360541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.360541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.360541 (E_RNA) where: Base-Base interactions energy: -137.770 where: short stacking energy: -53.862 Base-Backbone interact. energy: -0.092 local terms energy: -71.499101 where: bonds (distance) C4'-P energy: -13.222 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -11.774 tors. eta vs tors. theta energy: -17.416 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: 1 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -205.322870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.322870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.322870 (E_RNA) where: Base-Base interactions energy: -131.255 where: short stacking energy: -63.161 Base-Backbone interact. energy: -1.020 local terms energy: -73.048083 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -13.265 tors. eta vs tors. theta energy: -19.155 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: 3 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -200.501614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.501614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.501614 (E_RNA) where: Base-Base interactions energy: -131.060 where: short stacking energy: -56.121 Base-Backbone interact. energy: -0.000 local terms energy: -69.441761 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -13.116 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -189.927883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.927883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.927883 (E_RNA) where: Base-Base interactions energy: -130.771 where: short stacking energy: -54.636 Base-Backbone interact. energy: -0.792 local terms energy: -58.364599 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -10.507 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -12.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -94.860386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.860386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.860386 (E_RNA) where: Base-Base interactions energy: -46.636 where: short stacking energy: -21.317 Base-Backbone interact. energy: -1.099 local terms energy: -47.126196 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -97.267529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.267529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.267529 (E_RNA) where: Base-Base interactions energy: -59.467 where: short stacking energy: -25.734 Base-Backbone interact. energy: -0.583 local terms energy: -37.216784 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: 2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -73.832114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832114 (E_RNA) where: Base-Base interactions energy: -25.645 where: short stacking energy: -25.645 Base-Backbone interact. energy: -0.120 local terms energy: -48.067789 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -11.490 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -2.368 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: 2 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -222.148132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.148132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.148132 (E_RNA) where: Base-Base interactions energy: -148.186 where: short stacking energy: -57.219 Base-Backbone interact. energy: -0.163 local terms energy: -73.799235 where: bonds (distance) C4'-P energy: -16.074 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -14.540 tors. eta vs tors. theta energy: -15.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -217.380177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.380177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.380177 (E_RNA) where: Base-Base interactions energy: -147.368 where: short stacking energy: -65.376 Base-Backbone interact. energy: -1.867 local terms energy: -68.145462 where: bonds (distance) C4'-P energy: -9.276 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -11.723 tors. eta vs tors. theta energy: -20.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -214.324938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.324938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.324938 (E_RNA) where: Base-Base interactions energy: -137.947 where: short stacking energy: -63.678 Base-Backbone interact. energy: -0.303 local terms energy: -76.075699 where: bonds (distance) C4'-P energy: -17.068 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -12.246 tors. eta vs tors. theta energy: -19.827 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: 1 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -208.924527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.924527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.924527 (E_RNA) where: Base-Base interactions energy: -128.637 where: short stacking energy: -57.457 Base-Backbone interact. energy: -0.042 local terms energy: -80.245317 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -17.194 flat angles C4'-P-C4' energy: -18.023 flat angles P-C4'-P energy: -11.265 tors. eta vs tors. theta energy: -20.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -206.026502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.026502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.026502 (E_RNA) where: Base-Base interactions energy: -137.128 where: short stacking energy: -60.311 Base-Backbone interact. energy: -1.108 local terms energy: -67.790715 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -17.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -198.945581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.945581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.945581 (E_RNA) where: Base-Base interactions energy: -139.590 where: short stacking energy: -51.017 Base-Backbone interact. energy: -0.050 local terms energy: -59.304910 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -10.830 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -7.332 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: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -201.008881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.008881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.008881 (E_RNA) where: Base-Base interactions energy: -129.553 where: short stacking energy: -60.355 Base-Backbone interact. energy: -0.920 local terms energy: -70.536371 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -9.200 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -21.645 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: 9 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -120.059813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.059813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.059813 (E_RNA) where: Base-Base interactions energy: -68.205 where: short stacking energy: -34.289 Base-Backbone interact. energy: -0.113 local terms energy: -51.741545 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -4.856 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -9.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -75.755242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.755242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.755242 (E_RNA) where: Base-Base interactions energy: -17.932 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.495 local terms energy: -57.327608 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -75.215375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.215375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.215375 (E_RNA) where: Base-Base interactions energy: -24.844 where: short stacking energy: -24.498 Base-Backbone interact. energy: -0.520 local terms energy: -49.851596 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -2.124 tors. eta vs tors. theta energy: -4.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -218.950220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.950220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.950220 (E_RNA) where: Base-Base interactions energy: -143.642 where: short stacking energy: -62.208 Base-Backbone interact. energy: -0.038 local terms energy: -75.270778 where: bonds (distance) C4'-P energy: -15.745 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -21.008 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: 2 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -231.867377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.867377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.867377 (E_RNA) where: Base-Base interactions energy: -164.991 where: short stacking energy: -55.715 Base-Backbone interact. energy: -0.293 local terms energy: -66.583462 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -210.038022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.038022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.038022 (E_RNA) where: Base-Base interactions energy: -142.621 where: short stacking energy: -57.329 Base-Backbone interact. energy: -0.446 local terms energy: -66.971428 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -12.283 tors. eta vs tors. theta energy: -16.750 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: 1 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -209.403132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.403132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.403132 (E_RNA) where: Base-Base interactions energy: -138.289 where: short stacking energy: -71.160 Base-Backbone interact. energy: -0.317 local terms energy: -70.797025 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -15.737 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -18.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -207.243015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.243015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.243015 (E_RNA) where: Base-Base interactions energy: -136.473 where: short stacking energy: -70.735 Base-Backbone interact. energy: -0.012 local terms energy: -70.758342 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -16.532 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: -21.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -206.491461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.491461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.491461 (E_RNA) where: Base-Base interactions energy: -138.002 where: short stacking energy: -58.075 Base-Backbone interact. energy: -0.004 local terms energy: -68.485261 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -7.798 tors. eta vs tors. theta energy: -18.283 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: 7, replica: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -189.291315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.291315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.291315 (E_RNA) where: Base-Base interactions energy: -126.143 where: short stacking energy: -52.054 Base-Backbone interact. energy: -0.027 local terms energy: -63.121226 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -9.046 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: 8, replica: 9 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -138.058348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.058348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.058348 (E_RNA) where: Base-Base interactions energy: -89.816 where: short stacking energy: -33.576 Base-Backbone interact. energy: -0.237 local terms energy: -48.005600 where: bonds (distance) C4'-P energy: -7.388 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -17.252 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -5.188 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: 8 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -77.305300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.305300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.305300 (E_RNA) where: Base-Base interactions energy: -35.238 where: short stacking energy: -28.382 Base-Backbone interact. energy: -0.302 local terms energy: -41.764975 where: bonds (distance) C4'-P energy: -6.587 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -10.239 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -67.889173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.889173 (E_RNA) where: Base-Base interactions energy: -19.421 where: short stacking energy: -19.240 Base-Backbone interact. energy: -0.119 local terms energy: -48.348987 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -5.198 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: 10 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -223.705628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.705628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.705628 (E_RNA) where: Base-Base interactions energy: -147.773 where: short stacking energy: -66.223 Base-Backbone interact. energy: -0.100 local terms energy: -75.832860 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -18.215 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -19.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -229.075436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.075436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.075436 (E_RNA) where: Base-Base interactions energy: -164.258 where: short stacking energy: -55.831 Base-Backbone interact. energy: -0.782 local terms energy: -64.035769 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -11.244 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -12.257 tors. eta vs tors. theta energy: -14.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -205.455185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.455185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.455185 (E_RNA) where: Base-Base interactions energy: -131.447 where: short stacking energy: -62.615 Base-Backbone interact. energy: -0.356 local terms energy: -73.652521 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -16.633 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -206.198352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.198352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.198352 (E_RNA) where: Base-Base interactions energy: -134.194 where: short stacking energy: -58.146 Base-Backbone interact. energy: -0.830 local terms energy: -71.175081 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -10.571 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -199.088955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.088955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.088955 (E_RNA) where: Base-Base interactions energy: -130.242 where: short stacking energy: -52.948 Base-Backbone interact. energy: -0.025 local terms energy: -68.822054 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -13.972 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -16.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -193.889279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.889279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.889279 (E_RNA) where: Base-Base interactions energy: -128.075 where: short stacking energy: -57.235 Base-Backbone interact. energy: -0.004 local terms energy: -65.810304 where: bonds (distance) C4'-P energy: -10.592 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -191.838480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.838480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.838480 (E_RNA) where: Base-Base interactions energy: -133.692 where: short stacking energy: -56.441 Base-Backbone interact. energy: -1.194 local terms energy: -56.953232 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -11.873 flat angles P-C4'-P energy: -1.702 tors. eta vs tors. theta energy: -13.484 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: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -148.912702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.912702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.912702 (E_RNA) where: Base-Base interactions energy: -92.122 where: short stacking energy: -37.752 Base-Backbone interact. energy: -0.166 local terms energy: -56.625110 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -14.999 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -75.609088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.609088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.609088 (E_RNA) where: Base-Base interactions energy: -29.654 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.306 local terms energy: -45.649358 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -12.222 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: 5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -80.634925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.634925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.634925 (E_RNA) where: Base-Base interactions energy: -26.491 where: short stacking energy: -25.976 Base-Backbone interact. energy: -0.423 local terms energy: -53.721156 where: bonds (distance) C4'-P energy: -12.730 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -5.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -225.054832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.054832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.054832 (E_RNA) where: Base-Base interactions energy: -154.497 where: short stacking energy: -58.752 Base-Backbone interact. energy: -0.755 local terms energy: -69.803496 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -16.262 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -16.093 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: 10 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -209.214957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.214957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.214957 (E_RNA) where: Base-Base interactions energy: -141.437 where: short stacking energy: -59.024 Base-Backbone interact. energy: -0.053 local terms energy: -67.725862 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -15.500 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -212.216843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.216843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.216843 (E_RNA) where: Base-Base interactions energy: -139.480 where: short stacking energy: -64.676 Base-Backbone interact. energy: -0.173 local terms energy: -72.563707 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -18.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -208.462793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.462793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.462793 (E_RNA) where: Base-Base interactions energy: -142.268 where: short stacking energy: -52.838 Base-Backbone interact. energy: -0.973 local terms energy: -65.221090 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -10.188 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -11.353 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -194.465539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.465539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.465539 (E_RNA) where: Base-Base interactions energy: -134.457 where: short stacking energy: -56.679 Base-Backbone interact. energy: -0.126 local terms energy: -59.881948 where: bonds (distance) C4'-P energy: -11.142 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -14.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -198.909810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.909810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.909810 (E_RNA) where: Base-Base interactions energy: -128.694 where: short stacking energy: -59.148 Base-Backbone interact. energy: -0.308 local terms energy: -69.907888 where: bonds (distance) C4'-P energy: -9.657 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -19.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -192.512238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.512238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.512238 (E_RNA) where: Base-Base interactions energy: -129.205 where: short stacking energy: -57.270 Base-Backbone interact. energy: -0.476 local terms energy: -62.831170 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -10.525 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -13.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -99.464953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.464953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.464953 (E_RNA) where: Base-Base interactions energy: -52.152 where: short stacking energy: -31.044 Base-Backbone interact. energy: 2.225 local terms energy: -49.538152 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -15.078 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -4.187 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: 4 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -79.641701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.641701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.641701 (E_RNA) where: Base-Base interactions energy: -40.749 where: short stacking energy: -25.282 Base-Backbone interact. energy: -0.226 local terms energy: -38.666331 where: bonds (distance) C4'-P energy: -9.615 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -1.456 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -74.801660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.801660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.801660 (E_RNA) where: Base-Base interactions energy: -26.397 where: short stacking energy: -26.161 Base-Backbone interact. energy: -0.197 local terms energy: -48.207966 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -2.370 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: 2 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -226.900473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.900473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.900473 (E_RNA) where: Base-Base interactions energy: -151.882 where: short stacking energy: -58.260 Base-Backbone interact. energy: -0.192 local terms energy: -74.826682 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -16.501 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -15.507 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: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -214.693051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.693051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.693051 (E_RNA) where: Base-Base interactions energy: -140.979 where: short stacking energy: -65.305 Base-Backbone interact. energy: -0.402 local terms energy: -73.311936 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -20.055 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: 3, replica: 10 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -216.677497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.677497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.677497 (E_RNA) where: Base-Base interactions energy: -147.103 where: short stacking energy: -61.889 Base-Backbone interact. energy: -0.426 local terms energy: -69.149225 where: bonds (distance) C4'-P energy: -11.123 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -19.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -208.189877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.189877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.189877 (E_RNA) where: Base-Base interactions energy: -139.936 where: short stacking energy: -65.622 Base-Backbone interact. energy: -0.023 local terms energy: -68.231642 where: bonds (distance) C4'-P energy: -12.836 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -18.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -210.563625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.563625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.563625 (E_RNA) where: Base-Base interactions energy: -149.044 where: short stacking energy: -54.056 Base-Backbone interact. energy: -1.071 local terms energy: -60.448982 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -13.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -200.395710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.395710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.395710 (E_RNA) where: Base-Base interactions energy: -125.190 where: short stacking energy: -54.162 Base-Backbone interact. energy: 2.729 local terms energy: -77.935170 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -17.547 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -187.934414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.934414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.934414 (E_RNA) where: Base-Base interactions energy: -126.119 where: short stacking energy: -55.684 Base-Backbone interact. energy: -0.037 local terms energy: -61.778025 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -9.932 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -13.122 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: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -88.495814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.495814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.495814 (E_RNA) where: Base-Base interactions energy: -38.141 where: short stacking energy: -25.464 Base-Backbone interact. energy: -0.113 local terms energy: -50.242204 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -72.401130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.401130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.401130 (E_RNA) where: Base-Base interactions energy: -27.567 where: short stacking energy: -19.100 Base-Backbone interact. energy: -0.748 local terms energy: -44.085857 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -13.481 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -71.496794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.496794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.496794 (E_RNA) where: Base-Base interactions energy: -22.903 where: short stacking energy: -21.881 Base-Backbone interact. energy: 0.932 local terms energy: -49.525581 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -7.818 tors. eta vs tors. theta energy: -3.089 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: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -225.513844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.513844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.513844 (E_RNA) where: Base-Base interactions energy: -151.145 where: short stacking energy: -62.444 Base-Backbone interact. energy: -0.014 local terms energy: -74.354922 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -17.243 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -225.315484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.315484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.315484 (E_RNA) where: Base-Base interactions energy: -156.324 where: short stacking energy: -62.555 Base-Backbone interact. energy: -0.061 local terms energy: -68.930315 where: bonds (distance) C4'-P energy: -13.295 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -15.421 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: 10 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -209.196966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.196966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.196966 (E_RNA) where: Base-Base interactions energy: -138.253 where: short stacking energy: -63.283 Base-Backbone interact. energy: -0.096 local terms energy: -70.847467 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -22.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -209.188370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.188370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.188370 (E_RNA) where: Base-Base interactions energy: -137.446 where: short stacking energy: -64.033 Base-Backbone interact. energy: -0.077 local terms energy: -71.665541 where: bonds (distance) C4'-P energy: -13.769 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -8.389 tors. eta vs tors. theta energy: -18.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -209.195863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.195863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.195863 (E_RNA) where: Base-Base interactions energy: -137.252 where: short stacking energy: -66.488 Base-Backbone interact. energy: -0.531 local terms energy: -71.413040 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -11.875 tors. eta vs tors. theta energy: -20.585 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: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -191.577031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.577031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.577031 (E_RNA) where: Base-Base interactions energy: -123.637 where: short stacking energy: -57.068 Base-Backbone interact. energy: -0.008 local terms energy: -67.931556 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -15.863 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -196.219148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.219148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.219148 (E_RNA) where: Base-Base interactions energy: -126.763 where: short stacking energy: -56.838 Base-Backbone interact. energy: -0.003 local terms energy: -69.452584 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -17.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -84.125120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.125120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.125120 (E_RNA) where: Base-Base interactions energy: -31.690 where: short stacking energy: -22.313 Base-Backbone interact. energy: -0.078 local terms energy: -52.357490 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -73.525134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.525134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.525134 (E_RNA) where: Base-Base interactions energy: -28.265 where: short stacking energy: -27.314 Base-Backbone interact. energy: -0.004 local terms energy: -45.255480 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -70.025853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.025853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.025853 (E_RNA) where: Base-Base interactions energy: -29.764 where: short stacking energy: -28.085 Base-Backbone interact. energy: -0.024 local terms energy: -40.238280 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -11.742 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: 5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -220.749713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.749713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.749713 (E_RNA) where: Base-Base interactions energy: -142.540 where: short stacking energy: -68.261 Base-Backbone interact. energy: -1.844 local terms energy: -76.366602 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -14.028 flat angles C4'-P-C4' energy: -16.736 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -21.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -220.891050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.891050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.891050 (E_RNA) where: Base-Base interactions energy: -155.157 where: short stacking energy: -54.262 Base-Backbone interact. energy: -0.614 local terms energy: -65.119684 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -14.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -215.020128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.020128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.020128 (E_RNA) where: Base-Base interactions energy: -134.311 where: short stacking energy: -61.102 Base-Backbone interact. energy: -1.819 local terms energy: -78.889431 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -14.381 flat angles C4'-P-C4' energy: -17.592 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -19.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -201.623124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.623124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.623124 (E_RNA) where: Base-Base interactions energy: -126.010 where: short stacking energy: -59.640 Base-Backbone interact. energy: -0.039 local terms energy: -75.575045 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -15.687 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -16.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -201.016339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.016339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.016339 (E_RNA) where: Base-Base interactions energy: -138.076 where: short stacking energy: -55.333 Base-Backbone interact. energy: -0.110 local terms energy: -62.830834 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -167.938824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.938824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.938824 (E_RNA) where: Base-Base interactions energy: -108.093 where: short stacking energy: -47.362 Base-Backbone interact. energy: -0.098 local terms energy: -59.747595 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -10.669 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -11.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -184.157876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.157876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.157876 (E_RNA) where: Base-Base interactions energy: -114.887 where: short stacking energy: -50.367 Base-Backbone interact. energy: -0.373 local terms energy: -68.898304 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -13.192 tors. eta vs tors. theta energy: -14.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -82.008365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.008365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.008365 (E_RNA) where: Base-Base interactions energy: -35.374 where: short stacking energy: -25.899 Base-Backbone interact. energy: -0.342 local terms energy: -46.293191 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -16.129 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -6.925 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -94.679563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.679563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.679563 (E_RNA) where: Base-Base interactions energy: -35.667 where: short stacking energy: -31.359 Base-Backbone interact. energy: -0.068 local terms energy: -58.944578 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.611 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -9.216 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: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -71.955192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.955192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.955192 (E_RNA) where: Base-Base interactions energy: -23.050 where: short stacking energy: -23.050 Base-Backbone interact. energy: -0.847 local terms energy: -48.058230 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -12.875 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -1.315 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: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -224.586885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.586885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.586885 (E_RNA) where: Base-Base interactions energy: -153.817 where: short stacking energy: -51.936 Base-Backbone interact. energy: -0.244 local terms energy: -70.526122 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -13.039 tors. eta vs tors. theta energy: -15.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -220.860528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.860528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.860528 (E_RNA) where: Base-Base interactions energy: -144.369 where: short stacking energy: -59.749 Base-Backbone interact. energy: -0.002 local terms energy: -76.489107 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -17.485 flat angles C4'-P-C4' energy: -16.651 flat angles P-C4'-P energy: -11.633 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -216.769264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.769264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.769264 (E_RNA) where: Base-Base interactions energy: -141.793 where: short stacking energy: -64.986 Base-Backbone interact. energy: -1.644 local terms energy: -73.331695 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -11.086 tors. eta vs tors. theta energy: -19.683 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: 4, replica: 10 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -214.734940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.734940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.734940 (E_RNA) where: Base-Base interactions energy: -145.802 where: short stacking energy: -62.052 Base-Backbone interact. energy: -0.017 local terms energy: -68.915665 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -16.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -195.843464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.843464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.843464 (E_RNA) where: Base-Base interactions energy: -124.513 where: short stacking energy: -46.294 Base-Backbone interact. energy: 0.004 local terms energy: -71.334036 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -16.768 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -17.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -200.322359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.322359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.322359 (E_RNA) where: Base-Base interactions energy: -134.976 where: short stacking energy: -52.396 Base-Backbone interact. energy: 2.355 local terms energy: -67.700801 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -14.852 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: 108 Temperature: 1.200000 Total energy: -195.881827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.881827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.881827 (E_RNA) where: Base-Base interactions energy: -139.003 where: short stacking energy: -55.939 Base-Backbone interact. energy: -0.006 local terms energy: -56.872774 where: bonds (distance) C4'-P energy: -10.040 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -10.727 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -74.899961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.899961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.899961 (E_RNA) where: Base-Base interactions energy: -31.448 where: short stacking energy: -23.636 Base-Backbone interact. energy: -0.133 local terms energy: -43.318951 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -11.816 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -82.008635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.008635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.008635 (E_RNA) where: Base-Base interactions energy: -27.389 where: short stacking energy: -27.389 Base-Backbone interact. energy: -0.075 local terms energy: -54.544678 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -6.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -73.779333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.779333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.779333 (E_RNA) where: Base-Base interactions energy: -32.778 where: short stacking energy: -29.590 Base-Backbone interact. energy: -0.166 local terms energy: -40.835358 where: bonds (distance) C4'-P energy: -11.923 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -0.943 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: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -217.712454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.712454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.712454 (E_RNA) where: Base-Base interactions energy: -152.692 where: short stacking energy: -55.279 Base-Backbone interact. energy: -0.103 local terms energy: -64.918067 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -13.402 tors. eta vs tors. theta energy: -10.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -216.430528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.430528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.430528 (E_RNA) where: Base-Base interactions energy: -139.199 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.118 local terms energy: -77.114166 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -16.806 flat angles C4'-P-C4' energy: -16.477 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -18.593 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: 109 Temperature: 1.000000 Total energy: -208.848242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.848242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.848242 (E_RNA) where: Base-Base interactions energy: -135.252 where: short stacking energy: -61.375 Base-Backbone interact. energy: -0.002 local terms energy: -73.594285 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -16.167 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -19.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -211.405645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.405645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.405645 (E_RNA) where: Base-Base interactions energy: -143.549 where: short stacking energy: -62.568 Base-Backbone interact. energy: -0.094 local terms energy: -67.763207 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -18.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -202.014704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.014704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.014704 (E_RNA) where: Base-Base interactions energy: -143.648 where: short stacking energy: -53.702 Base-Backbone interact. energy: -0.483 local terms energy: -57.883270 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -13.261 tors. eta vs tors. theta energy: -10.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -198.280044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.280044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.280044 (E_RNA) where: Base-Base interactions energy: -128.712 where: short stacking energy: -64.564 Base-Backbone interact. energy: -0.003 local terms energy: -69.564922 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -12.781 tors. eta vs tors. theta energy: -16.948 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: 1 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -190.890385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.890385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.890385 (E_RNA) where: Base-Base interactions energy: -125.723 where: short stacking energy: -53.095 Base-Backbone interact. energy: -0.465 local terms energy: -64.702633 where: bonds (distance) C4'-P energy: -15.807 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -116.267753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.267753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.267753 (E_RNA) where: Base-Base interactions energy: -68.428 where: short stacking energy: -32.835 Base-Backbone interact. energy: -0.377 local terms energy: -47.462843 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -84.155775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.155775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.155775 (E_RNA) where: Base-Base interactions energy: -42.085 where: short stacking energy: -22.427 Base-Backbone interact. energy: 0.041 local terms energy: -42.111377 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -70.720122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.720122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.720122 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -28.799 Base-Backbone interact. energy: -0.108 local terms energy: -39.417013 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -11.606 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -220.589145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.589145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.589145 (E_RNA) where: Base-Base interactions energy: -145.695 where: short stacking energy: -64.100 Base-Backbone interact. energy: 0.117 local terms energy: -75.011536 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -16.930 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -17.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -219.832182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.832182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.832182 (E_RNA) where: Base-Base interactions energy: -152.380 where: short stacking energy: -59.091 Base-Backbone interact. energy: -0.606 local terms energy: -66.846065 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -14.908 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -18.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -219.876897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.876897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.876897 (E_RNA) where: Base-Base interactions energy: -145.269 where: short stacking energy: -66.614 Base-Backbone interact. energy: 0.122 local terms energy: -74.729825 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -16.150 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -209.619299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.619299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.619299 (E_RNA) where: Base-Base interactions energy: -136.448 where: short stacking energy: -61.762 Base-Backbone interact. energy: -0.428 local terms energy: -72.743227 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -16.300 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -21.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -194.563176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.563176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.563176 (E_RNA) where: Base-Base interactions energy: -130.598 where: short stacking energy: -47.607 Base-Backbone interact. energy: -0.773 local terms energy: -63.192378 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -195.371124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.371124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.371124 (E_RNA) where: Base-Base interactions energy: -128.977 where: short stacking energy: -55.280 Base-Backbone interact. energy: -0.046 local terms energy: -66.347951 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -14.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -143.406753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.406753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.406753 (E_RNA) where: Base-Base interactions energy: -83.447 where: short stacking energy: -51.717 Base-Backbone interact. energy: -0.048 local terms energy: -59.911627 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -10.794 flat angles C4'-P-C4' energy: -16.338 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -12.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -126.980099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.980099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.980099 (E_RNA) where: Base-Base interactions energy: -76.454 where: short stacking energy: -31.420 Base-Backbone interact. energy: -0.155 local terms energy: -50.371107 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -4.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -76.729654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.729654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.729654 (E_RNA) where: Base-Base interactions energy: -27.945 where: short stacking energy: -27.945 Base-Backbone interact. energy: 0.894 local terms energy: -49.678199 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -7.569 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -4.150 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: 8 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -75.055037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.055037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.055037 (E_RNA) where: Base-Base interactions energy: -24.238 where: short stacking energy: -20.760 Base-Backbone interact. energy: 0.468 local terms energy: -51.285358 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -0.808 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: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -226.075541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.075541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.075541 (E_RNA) where: Base-Base interactions energy: -145.533 where: short stacking energy: -71.692 Base-Backbone interact. energy: -2.416 local terms energy: -78.126524 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -17.526 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -22.254 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: 10 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -218.559289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.559289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.559289 (E_RNA) where: Base-Base interactions energy: -145.364 where: short stacking energy: -66.803 Base-Backbone interact. energy: -0.006 local terms energy: -73.189122 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -13.330 tors. eta vs tors. theta energy: -17.388 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: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -222.233902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.233902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.233902 (E_RNA) where: Base-Base interactions energy: -153.299 where: short stacking energy: -50.655 Base-Backbone interact. energy: -0.631 local terms energy: -68.304722 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -13.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -207.712411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.712411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.712411 (E_RNA) where: Base-Base interactions energy: -134.071 where: short stacking energy: -63.869 Base-Backbone interact. energy: -0.487 local terms energy: -73.154239 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -13.264 flat angles P-C4'-P energy: -11.571 tors. eta vs tors. theta energy: -20.608 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: 5, replica: 7 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -194.409575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.409575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.409575 (E_RNA) where: Base-Base interactions energy: -128.465 where: short stacking energy: -45.153 Base-Backbone interact. energy: -0.417 local terms energy: -65.527696 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -16.780 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -13.751 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: 111 Temperature: 1.150000 Total energy: -200.784092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.784092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.784092 (E_RNA) where: Base-Base interactions energy: -130.585 where: short stacking energy: -58.919 Base-Backbone interact. energy: -1.332 local terms energy: -68.867381 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -18.085 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: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -170.545995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.545995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.545995 (E_RNA) where: Base-Base interactions energy: -104.903 where: short stacking energy: -55.821 Base-Backbone interact. energy: -0.006 local terms energy: -65.636733 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -12.781 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -16.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -183.575343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.575343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.575343 (E_RNA) where: Base-Base interactions energy: -117.934 where: short stacking energy: -53.684 Base-Backbone interact. energy: -0.652 local terms energy: -64.988817 where: bonds (distance) C4'-P energy: -13.415 bonds (distance) P-C4' energy: -17.100 flat angles C4'-P-C4' energy: -10.786 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -13.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -81.938443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.938443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.938443 (E_RNA) where: Base-Base interactions energy: -30.421 where: short stacking energy: -23.013 Base-Backbone interact. energy: -0.185 local terms energy: -51.331796 where: bonds (distance) C4'-P energy: -10.842 bonds (distance) P-C4' energy: -16.244 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -81.723202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.723202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.723202 (E_RNA) where: Base-Base interactions energy: -29.317 where: short stacking energy: -29.317 Base-Backbone interact. energy: -0.171 local terms energy: -52.235728 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -12.182 tors. eta vs tors. theta energy: -2.578 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: 1, replica: 10 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -225.832463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.832463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.832463 (E_RNA) where: Base-Base interactions energy: -154.188 where: short stacking energy: -71.085 Base-Backbone interact. energy: -0.283 local terms energy: -71.361024 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -16.434 flat angles P-C4'-P energy: -12.046 tors. eta vs tors. theta energy: -20.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -213.938486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.938486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.938486 (E_RNA) where: Base-Base interactions energy: -132.580 where: short stacking energy: -63.930 Base-Backbone interact. energy: -2.263 local terms energy: -79.095730 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -16.547 flat angles P-C4'-P energy: -12.967 tors. eta vs tors. theta energy: -21.003 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: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -217.182037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.182037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.182037 (E_RNA) where: Base-Base interactions energy: -144.313 where: short stacking energy: -55.819 Base-Backbone interact. energy: -0.250 local terms energy: -72.618983 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -12.050 flat angles C4'-P-C4' energy: -17.282 flat angles P-C4'-P energy: -12.969 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -211.372993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.372993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.372993 (E_RNA) where: Base-Base interactions energy: -137.830 where: short stacking energy: -63.680 Base-Backbone interact. energy: -1.781 local terms energy: -71.761698 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -18.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -193.635034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.635034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.635034 (E_RNA) where: Base-Base interactions energy: -128.281 where: short stacking energy: -60.829 Base-Backbone interact. energy: -0.095 local terms energy: -65.258905 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -7.725 tors. eta vs tors. theta energy: -16.573 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: 6, replica: 7 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -190.462179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.462179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.462179 (E_RNA) where: Base-Base interactions energy: -126.448 where: short stacking energy: -48.722 Base-Backbone interact. energy: -0.110 local terms energy: -63.904165 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -12.519 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: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -201.026835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.026835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.026835 (E_RNA) where: Base-Base interactions energy: -139.335 where: short stacking energy: -67.435 Base-Backbone interact. energy: -1.830 local terms energy: -59.861538 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -21.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -151.143305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.143305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.143305 (E_RNA) where: Base-Base interactions energy: -98.215 where: short stacking energy: -47.837 Base-Backbone interact. energy: 1.506 local terms energy: -54.434125 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -12.239 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -68.196608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.196608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.196608 (E_RNA) where: Base-Base interactions energy: -20.008 where: short stacking energy: -20.008 Base-Backbone interact. energy: -0.048 local terms energy: -48.141294 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -0.458 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: 10, replica: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -75.485412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.485412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.485412 (E_RNA) where: Base-Base interactions energy: -41.465 where: short stacking energy: -14.433 Base-Backbone interact. energy: 0.567 local terms energy: -34.586475 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -7.023 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: 10 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -215.151927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.151927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.151927 (E_RNA) where: Base-Base interactions energy: -135.528 where: short stacking energy: -65.959 Base-Backbone interact. energy: -2.674 local terms energy: -76.950322 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -17.938 flat angles P-C4'-P energy: -12.139 tors. eta vs tors. theta energy: -19.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -216.330039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.330039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.330039 (E_RNA) where: Base-Base interactions energy: -142.408 where: short stacking energy: -69.140 Base-Backbone interact. energy: -1.701 local terms energy: -72.221035 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -19.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -213.866492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.866492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.866492 (E_RNA) where: Base-Base interactions energy: -149.580 where: short stacking energy: -56.933 Base-Backbone interact. energy: 1.148 local terms energy: -65.434382 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -16.734 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -7.534 tors. eta vs tors. theta energy: -16.337 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: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -208.200878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.200878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.200878 (E_RNA) where: Base-Base interactions energy: -135.776 where: short stacking energy: -65.062 Base-Backbone interact. energy: -0.986 local terms energy: -71.438436 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -21.234 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: 113 Temperature: 1.100000 Total energy: -204.921988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.921988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.921988 (E_RNA) where: Base-Base interactions energy: -132.181 where: short stacking energy: -58.981 Base-Backbone interact. energy: -0.005 local terms energy: -72.736124 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -18.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -201.446627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.446627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.446627 (E_RNA) where: Base-Base interactions energy: -134.000 where: short stacking energy: -59.307 Base-Backbone interact. energy: -0.047 local terms energy: -67.399417 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -9.891 flat angles C4'-P-C4' energy: -17.126 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -19.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -187.531563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.531563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.531563 (E_RNA) where: Base-Base interactions energy: -123.548 where: short stacking energy: -54.545 Base-Backbone interact. energy: 0.083 local terms energy: -64.066463 where: bonds (distance) C4'-P energy: -11.220 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -15.811 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -12.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -151.413302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.413302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.413302 (E_RNA) where: Base-Base interactions energy: -94.069 where: short stacking energy: -51.153 Base-Backbone interact. energy: -0.719 local terms energy: -56.625006 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -8.732 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -82.223162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.223162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.223162 (E_RNA) where: Base-Base interactions energy: -32.700 where: short stacking energy: -32.700 Base-Backbone interact. energy: -0.112 local terms energy: -49.411014 where: bonds (distance) C4'-P energy: -14.124 bonds (distance) P-C4' energy: -8.195 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -7.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -80.463006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.463006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.463006 (E_RNA) where: Base-Base interactions energy: -21.236 where: short stacking energy: -21.236 Base-Backbone interact. energy: -0.167 local terms energy: -59.060117 where: bonds (distance) C4'-P energy: -17.076 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -6.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -218.958689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.958689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.958689 (E_RNA) where: Base-Base interactions energy: -141.269 where: short stacking energy: -64.318 Base-Backbone interact. energy: -1.423 local terms energy: -76.266665 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -17.571 flat angles P-C4'-P energy: -13.036 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -213.994187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.994187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.994187 (E_RNA) where: Base-Base interactions energy: -133.776 where: short stacking energy: -63.249 Base-Backbone interact. energy: -1.375 local terms energy: -78.843267 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -12.298 tors. eta vs tors. theta energy: -21.242 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: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -205.619372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.619372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.619372 (E_RNA) where: Base-Base interactions energy: -137.287 where: short stacking energy: -55.903 Base-Backbone interact. energy: -0.097 local terms energy: -68.235562 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -13.090 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: 2 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -199.669940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.669940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.669940 (E_RNA) where: Base-Base interactions energy: -128.096 where: short stacking energy: -53.941 Base-Backbone interact. energy: -0.015 local terms energy: -71.559543 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -15.883 flat angles P-C4'-P energy: -11.871 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -206.948526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.948526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.948526 (E_RNA) where: Base-Base interactions energy: -135.687 where: short stacking energy: -59.470 Base-Backbone interact. energy: -0.879 local terms energy: -70.382898 where: bonds (distance) C4'-P energy: -12.567 bonds (distance) P-C4' energy: -14.913 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -197.030041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.030041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.030041 (E_RNA) where: Base-Base interactions energy: -125.767 where: short stacking energy: -52.517 Base-Backbone interact. energy: -0.363 local terms energy: -70.899816 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -17.208 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: 1 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -192.028992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.028992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.028992 (E_RNA) where: Base-Base interactions energy: -131.496 where: short stacking energy: -44.496 Base-Backbone interact. energy: 0.927 local terms energy: -61.459471 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -8.472 tors. eta vs tors. theta energy: -11.698 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: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -93.657784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.657784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.657784 (E_RNA) where: Base-Base interactions energy: -42.778 where: short stacking energy: -20.057 Base-Backbone interact. energy: -0.008 local terms energy: -50.872308 where: bonds (distance) C4'-P energy: -7.034 bonds (distance) P-C4' energy: -14.454 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -6.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -99.567805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.567805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.567805 (E_RNA) where: Base-Base interactions energy: -48.520 where: short stacking energy: -30.928 Base-Backbone interact. energy: -0.450 local terms energy: -50.597338 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -11.073 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -9.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -64.875768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.875768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.875768 (E_RNA) where: Base-Base interactions energy: -20.520 where: short stacking energy: -16.882 Base-Backbone interact. energy: -0.168 local terms energy: -44.187977 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -5.946 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -228.803773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.803773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.803773 (E_RNA) where: Base-Base interactions energy: -155.732 where: short stacking energy: -68.538 Base-Backbone interact. energy: -0.059 local terms energy: -73.013609 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -16.131 flat angles P-C4'-P energy: -11.008 tors. eta vs tors. theta energy: -18.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -220.114029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.114029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.114029 (E_RNA) where: Base-Base interactions energy: -144.993 where: short stacking energy: -67.208 Base-Backbone interact. energy: -1.514 local terms energy: -73.607478 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -18.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -215.847971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.847971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.847971 (E_RNA) where: Base-Base interactions energy: -148.180 where: short stacking energy: -52.900 Base-Backbone interact. energy: -0.093 local terms energy: -67.574787 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -8.630 tors. eta vs tors. theta energy: -16.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -203.316215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.316215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.316215 (E_RNA) where: Base-Base interactions energy: -132.906 where: short stacking energy: -61.690 Base-Backbone interact. energy: -0.001 local terms energy: -70.409334 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -12.353 tors. eta vs tors. theta energy: -15.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -197.919838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.919838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.919838 (E_RNA) where: Base-Base interactions energy: -134.005 where: short stacking energy: -59.332 Base-Backbone interact. energy: -0.002 local terms energy: -63.912746 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -203.769809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.769809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.769809 (E_RNA) where: Base-Base interactions energy: -141.228 where: short stacking energy: -53.760 Base-Backbone interact. energy: -0.844 local terms energy: -61.697183 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -11.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -195.804240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.804240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.804240 (E_RNA) where: Base-Base interactions energy: -126.270 where: short stacking energy: -62.993 Base-Backbone interact. energy: -0.414 local terms energy: -69.119929 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -16.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -84.700380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.700380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.700380 (E_RNA) where: Base-Base interactions energy: -39.470 where: short stacking energy: -27.720 Base-Backbone interact. energy: 1.089 local terms energy: -46.319336 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -11.787 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -2.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -84.274391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.274391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.274391 (E_RNA) where: Base-Base interactions energy: -35.703 where: short stacking energy: -34.768 Base-Backbone interact. energy: -0.321 local terms energy: -48.250982 where: bonds (distance) C4'-P energy: -15.177 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -5.997 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -73.569531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.569531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.569531 (E_RNA) where: Base-Base interactions energy: -27.675 where: short stacking energy: -27.675 Base-Backbone interact. energy: -0.055 local terms energy: -45.840075 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -7.151 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -3.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -229.906008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.906008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.906008 (E_RNA) where: Base-Base interactions energy: -155.110 where: short stacking energy: -65.396 Base-Backbone interact. energy: 0.259 local terms energy: -75.054481 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -17.517 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -16.662 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: 10 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -225.731793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.731793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.731793 (E_RNA) where: Base-Base interactions energy: -146.504 where: short stacking energy: -63.393 Base-Backbone interact. energy: -0.597 local terms energy: -78.630611 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -16.335 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -20.737 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: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -209.914729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.914729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.914729 (E_RNA) where: Base-Base interactions energy: -146.151 where: short stacking energy: -51.799 Base-Backbone interact. energy: -0.386 local terms energy: -63.377745 where: bonds (distance) C4'-P energy: -8.527 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -16.417 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -14.350 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: 2 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -203.621179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.621179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.621179 (E_RNA) where: Base-Base interactions energy: -131.751 where: short stacking energy: -59.593 Base-Backbone interact. energy: -0.071 local terms energy: -71.799297 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -16.502 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -16.277 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: 1 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -211.899788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.899788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.899788 (E_RNA) where: Base-Base interactions energy: -144.584 where: short stacking energy: -55.573 Base-Backbone interact. energy: -0.695 local terms energy: -66.620849 where: bonds (distance) C4'-P energy: -14.717 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -14.979 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: 7 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -191.391734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.391734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.391734 (E_RNA) where: Base-Base interactions energy: -126.385 where: short stacking energy: -46.288 Base-Backbone interact. energy: -0.095 local terms energy: -64.911588 where: bonds (distance) C4'-P energy: -12.439 bonds (distance) P-C4' energy: -16.535 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -12.524 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: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -195.515452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.515452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.515452 (E_RNA) where: Base-Base interactions energy: -126.910 where: short stacking energy: -58.393 Base-Backbone interact. energy: -0.129 local terms energy: -68.475982 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -16.875 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: 8, replica: 4 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -84.083706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.083706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.083706 (E_RNA) where: Base-Base interactions energy: -31.334 where: short stacking energy: -21.320 Base-Backbone interact. energy: -0.289 local terms energy: -52.460900 where: bonds (distance) C4'-P energy: -13.342 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -9.488 tors. eta vs tors. theta energy: 0.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -104.099037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.099037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.099037 (E_RNA) where: Base-Base interactions energy: -54.768 where: short stacking energy: -26.071 Base-Backbone interact. energy: -0.162 local terms energy: -49.169583 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -17.099 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -2.034 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: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -74.819426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.819426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.819426 (E_RNA) where: Base-Base interactions energy: -29.305 where: short stacking energy: -27.050 Base-Backbone interact. energy: -1.274 local terms energy: -44.240449 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -224.957092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.957092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.957092 (E_RNA) where: Base-Base interactions energy: -145.250 where: short stacking energy: -67.435 Base-Backbone interact. energy: -0.071 local terms energy: -79.635739 where: bonds (distance) C4'-P energy: -13.792 bonds (distance) P-C4' energy: -16.305 flat angles C4'-P-C4' energy: -16.758 flat angles P-C4'-P energy: -14.229 tors. eta vs tors. theta energy: -18.552 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: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -211.964696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.964696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.964696 (E_RNA) where: Base-Base interactions energy: -134.588 where: short stacking energy: -62.195 Base-Backbone interact. energy: -0.043 local terms energy: -77.334313 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -18.017 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -215.982717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.982717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.982717 (E_RNA) where: Base-Base interactions energy: -137.042 where: short stacking energy: -55.361 Base-Backbone interact. energy: -0.351 local terms energy: -78.589892 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -17.786 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -16.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -200.213772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.213772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.213772 (E_RNA) where: Base-Base interactions energy: -131.251 where: short stacking energy: -59.499 Base-Backbone interact. energy: -0.064 local terms energy: -68.898848 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -13.811 flat angles P-C4'-P energy: -13.235 tors. eta vs tors. theta energy: -14.506 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: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -193.675724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.675724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.675724 (E_RNA) where: Base-Base interactions energy: -123.150 where: short stacking energy: -50.232 Base-Backbone interact. energy: -0.430 local terms energy: -70.095449 where: bonds (distance) C4'-P energy: -16.219 bonds (distance) P-C4' energy: -15.753 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -13.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -202.794573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.794573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.794573 (E_RNA) where: Base-Base interactions energy: -137.483 where: short stacking energy: -57.196 Base-Backbone interact. energy: -0.052 local terms energy: -65.260367 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -15.436 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: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -182.056599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.056599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.056599 (E_RNA) where: Base-Base interactions energy: -122.849 where: short stacking energy: -55.616 Base-Backbone interact. energy: 0.043 local terms energy: -59.250427 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -12.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -89.929792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.929792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.929792 (E_RNA) where: Base-Base interactions energy: -43.709 where: short stacking energy: -43.909 Base-Backbone interact. energy: -0.082 local terms energy: -46.139161 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -7.667 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -65.590608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.590608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.590608 (E_RNA) where: Base-Base interactions energy: -26.766 where: short stacking energy: -25.913 Base-Backbone interact. energy: -0.280 local terms energy: -38.544892 where: bonds (distance) C4'-P energy: -10.043 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: -0.090 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -66.002214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.002214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.002214 (E_RNA) where: Base-Base interactions energy: -20.853 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.125 local terms energy: -45.024776 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -10.546 flat angles P-C4'-P energy: -12.353 tors. eta vs tors. theta energy: 1.600 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: 3 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -219.096526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.096526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.096526 (E_RNA) where: Base-Base interactions energy: -145.660 where: short stacking energy: -50.113 Base-Backbone interact. energy: -0.048 local terms energy: -73.388441 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -12.228 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -212.438870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.438870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.438870 (E_RNA) where: Base-Base interactions energy: -134.923 where: short stacking energy: -65.083 Base-Backbone interact. energy: -0.000 local terms energy: -77.515555 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -9.851 tors. eta vs tors. theta energy: -20.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -204.854894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.854894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.854894 (E_RNA) where: Base-Base interactions energy: -139.957 where: short stacking energy: -61.789 Base-Backbone interact. energy: -0.207 local terms energy: -64.690653 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -17.565 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: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -205.727599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.727599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.727599 (E_RNA) where: Base-Base interactions energy: -143.097 where: short stacking energy: -59.802 Base-Backbone interact. energy: -0.096 local terms energy: -62.534505 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -13.176 tors. eta vs tors. theta energy: -15.423 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: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -205.593763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.593763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.593763 (E_RNA) where: Base-Base interactions energy: -134.876 where: short stacking energy: -58.984 Base-Backbone interact. energy: -0.241 local terms energy: -70.476781 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.802 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -19.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -201.729770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.729770 (E_RNA) where: Base-Base interactions energy: -130.727 where: short stacking energy: -58.137 Base-Backbone interact. energy: -0.059 local terms energy: -70.943761 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -14.246 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -16.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -151.523687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.523687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.523687 (E_RNA) where: Base-Base interactions energy: -94.351 where: short stacking energy: -44.217 Base-Backbone interact. energy: 0.555 local terms energy: -57.727497 where: bonds (distance) C4'-P energy: -15.556 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -78.737010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.737010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.737010 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -23.328 Base-Backbone interact. energy: -0.313 local terms energy: -53.172266 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -11.362 flat angles P-C4'-P energy: -11.329 tors. eta vs tors. theta energy: -4.012 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: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -91.478753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.478753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.478753 (E_RNA) where: Base-Base interactions energy: -44.791 where: short stacking energy: -29.978 Base-Backbone interact. energy: -0.379 local terms energy: -46.308294 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -11.799 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -78.823059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.823059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.823059 (E_RNA) where: Base-Base interactions energy: -29.022 where: short stacking energy: -22.188 Base-Backbone interact. energy: 0.139 local terms energy: -49.940223 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -11.967 tors. eta vs tors. theta energy: 2.048 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: 3 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -218.887797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.887797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.887797 (E_RNA) where: Base-Base interactions energy: -147.471 where: short stacking energy: -57.607 Base-Backbone interact. energy: -0.179 local terms energy: -71.237116 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -13.305 tors. eta vs tors. theta energy: -13.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -220.449435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.449435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.449435 (E_RNA) where: Base-Base interactions energy: -146.557 where: short stacking energy: -65.352 Base-Backbone interact. energy: 0.788 local terms energy: -74.680416 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -15.904 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: 5 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -212.059544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.059544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.059544 (E_RNA) where: Base-Base interactions energy: -139.138 where: short stacking energy: -63.930 Base-Backbone interact. energy: -0.013 local terms energy: -72.907919 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -11.499 tors. eta vs tors. theta energy: -19.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -215.000272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.000272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.000272 (E_RNA) where: Base-Base interactions energy: -142.867 where: short stacking energy: -63.146 Base-Backbone interact. energy: -0.141 local terms energy: -71.993105 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -18.879 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -200.168310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.168310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.168310 (E_RNA) where: Base-Base interactions energy: -130.965 where: short stacking energy: -61.809 Base-Backbone interact. energy: -0.011 local terms energy: -69.192331 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -20.446 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: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -185.209605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.209605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.209605 (E_RNA) where: Base-Base interactions energy: -128.727 where: short stacking energy: -51.299 Base-Backbone interact. energy: -0.082 local terms energy: -56.400624 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -11.769 flat angles C4'-P-C4' energy: -10.370 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -13.841 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: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -143.042071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.042071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.042071 (E_RNA) where: Base-Base interactions energy: -89.396 where: short stacking energy: -40.650 Base-Backbone interact. energy: -0.368 local terms energy: -53.277331 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -8.010 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -75.853104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.853104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.853104 (E_RNA) where: Base-Base interactions energy: -33.076 where: short stacking energy: -28.129 Base-Backbone interact. energy: -0.014 local terms energy: -42.762699 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -11.558 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -73.323966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.323966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.323966 (E_RNA) where: Base-Base interactions energy: -24.919 where: short stacking energy: -17.967 Base-Backbone interact. energy: 0.397 local terms energy: -48.802330 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -11.107 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -3.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -75.221184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.221184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.221184 (E_RNA) where: Base-Base interactions energy: -29.373 where: short stacking energy: -29.373 Base-Backbone interact. energy: -0.127 local terms energy: -45.720384 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -216.223913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.223913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.223913 (E_RNA) where: Base-Base interactions energy: -141.523 where: short stacking energy: -64.501 Base-Backbone interact. energy: -0.928 local terms energy: -73.772522 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -11.891 tors. eta vs tors. theta energy: -22.290 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: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -216.219932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.219932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.219932 (E_RNA) where: Base-Base interactions energy: -145.112 where: short stacking energy: -50.828 Base-Backbone interact. energy: -0.268 local terms energy: -70.839865 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -14.377 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: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -203.267505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.267505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.267505 (E_RNA) where: Base-Base interactions energy: -128.577 where: short stacking energy: -59.580 Base-Backbone interact. energy: -0.011 local terms energy: -74.679261 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -15.664 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -17.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -205.541934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.541934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.541934 (E_RNA) where: Base-Base interactions energy: -134.938 where: short stacking energy: -61.836 Base-Backbone interact. energy: -0.009 local terms energy: -70.595282 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -10.028 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -19.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -197.775323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.775323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.775323 (E_RNA) where: Base-Base interactions energy: -132.221 where: short stacking energy: -43.758 Base-Backbone interact. energy: -0.241 local terms energy: -65.313210 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -13.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -183.722445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.722445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.722445 (E_RNA) where: Base-Base interactions energy: -140.878 where: short stacking energy: -55.936 Base-Backbone interact. energy: 1.485 local terms energy: -44.329465 where: bonds (distance) C4'-P energy: -8.335 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -1.734 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -13.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -140.208047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.208047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.208047 (E_RNA) where: Base-Base interactions energy: -84.363 where: short stacking energy: -44.495 Base-Backbone interact. energy: 0.007 local terms energy: -55.851726 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -10.109 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -12.207 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: 9 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -87.071563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.071563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.071563 (E_RNA) where: Base-Base interactions energy: -51.229 where: short stacking energy: -35.654 Base-Backbone interact. energy: -0.417 local terms energy: -35.425026 where: bonds (distance) C4'-P energy: -4.929 bonds (distance) P-C4' energy: -13.912 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -1.547 tors. eta vs tors. theta energy: -1.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -91.406224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.406224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.406224 (E_RNA) where: Base-Base interactions energy: -37.160 where: short stacking energy: -33.451 Base-Backbone interact. energy: -0.080 local terms energy: -54.166250 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -75.286378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.286378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.286378 (E_RNA) where: Base-Base interactions energy: -29.305 where: short stacking energy: -29.305 Base-Backbone interact. energy: -0.308 local terms energy: -45.674149 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -8.795 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -5.153 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: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -226.998918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.998918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.998918 (E_RNA) where: Base-Base interactions energy: -153.775 where: short stacking energy: -64.748 Base-Backbone interact. energy: -0.052 local terms energy: -73.172052 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -17.563 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -10.979 tors. eta vs tors. theta energy: -14.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -222.610072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.610072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.610072 (E_RNA) where: Base-Base interactions energy: -149.859 where: short stacking energy: -51.628 Base-Backbone interact. energy: -0.140 local terms energy: -72.611474 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -15.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -211.391834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.391834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.391834 (E_RNA) where: Base-Base interactions energy: -139.103 where: short stacking energy: -61.478 Base-Backbone interact. energy: -0.002 local terms energy: -72.286660 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -200.166126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.166126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.166126 (E_RNA) where: Base-Base interactions energy: -127.605 where: short stacking energy: -61.893 Base-Backbone interact. energy: 0.610 local terms energy: -73.171997 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.672 flat angles P-C4'-P energy: -10.664 tors. eta vs tors. theta energy: -18.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -200.443817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.443817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.443817 (E_RNA) where: Base-Base interactions energy: -130.721 where: short stacking energy: -59.339 Base-Backbone interact. energy: -1.391 local terms energy: -68.331905 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -11.690 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -195.645252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.645252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.645252 (E_RNA) where: Base-Base interactions energy: -138.416 where: short stacking energy: -57.074 Base-Backbone interact. energy: 0.901 local terms energy: -58.130073 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -14.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -141.042511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.042511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.042511 (E_RNA) where: Base-Base interactions energy: -75.553 where: short stacking energy: -42.471 Base-Backbone interact. energy: -0.166 local terms energy: -65.323451 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -12.031 tors. eta vs tors. theta energy: -12.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -97.110135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.110135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.110135 (E_RNA) where: Base-Base interactions energy: -45.159 where: short stacking energy: -34.208 Base-Backbone interact. energy: -0.014 local terms energy: -51.937093 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -76.182371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.182371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.182371 (E_RNA) where: Base-Base interactions energy: -30.499 where: short stacking energy: -30.499 Base-Backbone interact. energy: -0.127 local terms energy: -45.556121 where: bonds (distance) C4'-P energy: -7.096 bonds (distance) P-C4' energy: -14.168 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -76.883471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.883471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.883471 (E_RNA) where: Base-Base interactions energy: -32.104 where: short stacking energy: -31.318 Base-Backbone interact. energy: -0.207 local terms energy: -44.572715 where: bonds (distance) C4'-P energy: -10.915 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -13.808 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -1.936 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: 3 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -221.796610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.796610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.796610 (E_RNA) where: Base-Base interactions energy: -151.054 where: short stacking energy: -51.968 Base-Backbone interact. energy: -0.507 local terms energy: -70.235041 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -14.498 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: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -210.051914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.051914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.051914 (E_RNA) where: Base-Base interactions energy: -144.167 where: short stacking energy: -67.171 Base-Backbone interact. energy: -0.026 local terms energy: -65.858140 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -18.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -217.860627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.860627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.860627 (E_RNA) where: Base-Base interactions energy: -144.977 where: short stacking energy: -62.338 Base-Backbone interact. energy: -0.018 local terms energy: -72.866326 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -18.864 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -14.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -207.732493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.732493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.732493 (E_RNA) where: Base-Base interactions energy: -136.557 where: short stacking energy: -64.230 Base-Backbone interact. energy: -0.589 local terms energy: -70.586340 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -18.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -192.278375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.278375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.278375 (E_RNA) where: Base-Base interactions energy: -129.668 where: short stacking energy: -56.305 Base-Backbone interact. energy: -0.018 local terms energy: -62.592526 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -11.114 flat angles P-C4'-P energy: -9.872 tors. eta vs tors. theta energy: -15.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -217.856519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.856519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.856519 (E_RNA) where: Base-Base interactions energy: -145.551 where: short stacking energy: -57.037 Base-Backbone interact. energy: -0.389 local terms energy: -71.916539 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -11.182 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -129.106430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.106430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.106430 (E_RNA) where: Base-Base interactions energy: -76.477 where: short stacking energy: -23.993 Base-Backbone interact. energy: -0.171 local terms energy: -52.457757 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -15.522 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -3.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -83.282739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.282739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.282739 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.156 local terms energy: -56.102283 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -5.550 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: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -79.040433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.040433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.040433 (E_RNA) where: Base-Base interactions energy: -32.185 where: short stacking energy: -32.185 Base-Backbone interact. energy: -0.011 local terms energy: -46.844564 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -0.239 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -79.022859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.022859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.022859 (E_RNA) where: Base-Base interactions energy: -30.406 where: short stacking energy: -30.406 Base-Backbone interact. energy: -0.018 local terms energy: -48.598707 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -13.886 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -3.451 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: 1, replica: 3 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -222.471620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.471620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.471620 (E_RNA) where: Base-Base interactions energy: -154.274 where: short stacking energy: -53.320 Base-Backbone interact. energy: -0.196 local terms energy: -68.001370 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -12.511 tors. eta vs tors. theta energy: -13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -220.544124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.544124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.544124 (E_RNA) where: Base-Base interactions energy: -147.815 where: short stacking energy: -65.601 Base-Backbone interact. energy: -0.064 local terms energy: -72.665400 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -16.501 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: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -213.826547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.826547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.826547 (E_RNA) where: Base-Base interactions energy: -138.378 where: short stacking energy: -62.211 Base-Backbone interact. energy: -0.175 local terms energy: -75.273661 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -16.523 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -19.299 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: 4, replica: 6 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -203.468064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.468064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.468064 (E_RNA) where: Base-Base interactions energy: -143.029 where: short stacking energy: -59.671 Base-Backbone interact. energy: -0.012 local terms energy: -60.427046 where: bonds (distance) C4'-P energy: -8.527 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -16.423 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: 10 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -197.694726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.694726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.694726 (E_RNA) where: Base-Base interactions energy: -128.981 where: short stacking energy: -57.457 Base-Backbone interact. energy: -0.468 local terms energy: -68.246170 where: bonds (distance) C4'-P energy: -10.591 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -16.794 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: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -202.079498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.079498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.079498 (E_RNA) where: Base-Base interactions energy: -131.985 where: short stacking energy: -58.683 Base-Backbone interact. energy: -0.100 local terms energy: -69.993564 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -18.085 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: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -120.385673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.385673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.385673 (E_RNA) where: Base-Base interactions energy: -70.010 where: short stacking energy: -34.625 Base-Backbone interact. energy: -0.272 local terms energy: -50.103590 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -9.495 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -2.613 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -86.165982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.165982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.165982 (E_RNA) where: Base-Base interactions energy: -38.358 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.383 local terms energy: -47.424283 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -2.981 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: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -68.203116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.203116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.203116 (E_RNA) where: Base-Base interactions energy: -28.063 where: short stacking energy: -28.063 Base-Backbone interact. energy: -0.361 local terms energy: -39.779452 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: 1.137 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: 10, replica: 9 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -76.789511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.789511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.789511 (E_RNA) where: Base-Base interactions energy: -30.649 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.305 local terms energy: -45.836060 where: bonds (distance) C4'-P energy: -13.531 bonds (distance) P-C4' energy: -12.105 flat angles C4'-P-C4' energy: -10.271 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -1.973 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: 1, replica: 2 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -221.316207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.316207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.316207 (E_RNA) where: Base-Base interactions energy: -139.034 where: short stacking energy: -68.454 Base-Backbone interact. energy: -2.410 local terms energy: -79.872845 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -12.664 tors. eta vs tors. theta energy: -23.111 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: 3 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -221.814675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.814675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.814675 (E_RNA) where: Base-Base interactions energy: -150.716 where: short stacking energy: -56.490 Base-Backbone interact. energy: -0.087 local terms energy: -71.010818 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -12.001 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -213.582676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.582676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.582676 (E_RNA) where: Base-Base interactions energy: -140.110 where: short stacking energy: -62.354 Base-Backbone interact. energy: -0.401 local terms energy: -73.071767 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -19.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -212.023558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.023558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.023558 (E_RNA) where: Base-Base interactions energy: -139.951 where: short stacking energy: -64.528 Base-Backbone interact. energy: -0.002 local terms energy: -72.071448 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -8.802 tors. eta vs tors. theta energy: -18.918 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: 5, replica: 5 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -202.762147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.762147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.762147 (E_RNA) where: Base-Base interactions energy: -134.458 where: short stacking energy: -61.412 Base-Backbone interact. energy: -0.007 local terms energy: -68.297577 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -12.070 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -14.905 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: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -192.663623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.663623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.663623 (E_RNA) where: Base-Base interactions energy: -127.526 where: short stacking energy: -50.407 Base-Backbone interact. energy: -0.195 local terms energy: -64.942279 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -16.505 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -12.335 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: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -153.829054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.829054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.829054 (E_RNA) where: Base-Base interactions energy: -88.907 where: short stacking energy: -50.872 Base-Backbone interact. energy: -0.007 local terms energy: -64.914876 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -9.758 flat angles C4'-P-C4' energy: -15.956 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -15.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -79.588151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.588151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.588151 (E_RNA) where: Base-Base interactions energy: -40.931 where: short stacking energy: -16.946 Base-Backbone interact. energy: -0.633 local terms energy: -38.024268 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -5.413 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -70.790416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.790416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.790416 (E_RNA) where: Base-Base interactions energy: -27.331 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.728 local terms energy: -42.731194 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: 1.270 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: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -78.502535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.502535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.502535 (E_RNA) where: Base-Base interactions energy: -29.375 where: short stacking energy: -29.375 Base-Backbone interact. energy: 0.011 local terms energy: -49.138330 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -14.210 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -5.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -219.561810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.561810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.561810 (E_RNA) where: Base-Base interactions energy: -145.520 where: short stacking energy: -66.696 Base-Backbone interact. energy: -0.008 local terms energy: -74.033485 where: bonds (distance) C4'-P energy: -13.596 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -19.736 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: 3 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -218.602002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.602002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.602002 (E_RNA) where: Base-Base interactions energy: -153.733 where: short stacking energy: -54.957 Base-Backbone interact. energy: -0.122 local terms energy: -64.747257 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -11.673 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: 1 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -210.681590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.681590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.681590 (E_RNA) where: Base-Base interactions energy: -138.833 where: short stacking energy: -65.132 Base-Backbone interact. energy: -1.495 local terms energy: -70.353992 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -16.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -199.350811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.350811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.350811 (E_RNA) where: Base-Base interactions energy: -131.742 where: short stacking energy: -58.176 Base-Backbone interact. energy: 0.003 local terms energy: -67.612339 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -15.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -205.821298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.821298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.821298 (E_RNA) where: Base-Base interactions energy: -128.505 where: short stacking energy: -60.828 Base-Backbone interact. energy: -1.469 local terms energy: -75.847594 where: bonds (distance) C4'-P energy: -16.551 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -9.753 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -192.849864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.849864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.849864 (E_RNA) where: Base-Base interactions energy: -129.519 where: short stacking energy: -59.171 Base-Backbone interact. energy: -0.063 local terms energy: -63.267921 where: bonds (distance) C4'-P energy: -9.629 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -14.514 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -19.499 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: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -146.828249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.828249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.828249 (E_RNA) where: Base-Base interactions energy: -82.127 where: short stacking energy: -44.461 Base-Backbone interact. energy: -0.071 local terms energy: -64.630512 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -10.152 tors. eta vs tors. theta energy: -10.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -125.609417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.609417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.609417 (E_RNA) where: Base-Base interactions energy: -78.228 where: short stacking energy: -35.580 Base-Backbone interact. energy: -0.805 local terms energy: -46.576671 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -3.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -89.487650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.487650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.487650 (E_RNA) where: Base-Base interactions energy: -56.515 where: short stacking energy: -20.976 Base-Backbone interact. energy: -0.028 local terms energy: -32.943985 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -0.457 tors. eta vs tors. theta energy: 3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -71.431600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.431600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.431600 (E_RNA) where: Base-Base interactions energy: -25.303 where: short stacking energy: -25.303 Base-Backbone interact. energy: 0.751 local terms energy: -46.879762 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -9.715 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -216.909133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.909133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.909133 (E_RNA) where: Base-Base interactions energy: -143.901 where: short stacking energy: -63.459 Base-Backbone interact. energy: -0.146 local terms energy: -72.862069 where: bonds (distance) C4'-P energy: -13.161 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -19.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -218.920990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.920990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.920990 (E_RNA) where: Base-Base interactions energy: -148.293 where: short stacking energy: -60.151 Base-Backbone interact. energy: -0.115 local terms energy: -70.513262 where: bonds (distance) C4'-P energy: -17.113 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -11.455 tors. eta vs tors. theta energy: -15.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -213.823241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.823241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.823241 (E_RNA) where: Base-Base interactions energy: -133.169 where: short stacking energy: -62.749 Base-Backbone interact. energy: -1.583 local terms energy: -79.071799 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -21.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -209.666461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.666461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.666461 (E_RNA) where: Base-Base interactions energy: -135.028 where: short stacking energy: -58.879 Base-Backbone interact. energy: -2.521 local terms energy: -72.117635 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -10.041 tors. eta vs tors. theta energy: -19.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -212.147795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.147795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.147795 (E_RNA) where: Base-Base interactions energy: -140.017 where: short stacking energy: -66.805 Base-Backbone interact. energy: -1.397 local terms energy: -70.734425 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -9.384 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -20.905 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: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -192.226096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.226096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.226096 (E_RNA) where: Base-Base interactions energy: -129.686 where: short stacking energy: -53.819 Base-Backbone interact. energy: -0.093 local terms energy: -62.447137 where: bonds (distance) C4'-P energy: -10.424 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -9.428 tors. eta vs tors. theta energy: -17.415 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: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -153.674815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.674815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.674815 (E_RNA) where: Base-Base interactions energy: -97.617 where: short stacking energy: -45.813 Base-Backbone interact. energy: -0.106 local terms energy: -55.951631 where: bonds (distance) C4'-P energy: -8.888 bonds (distance) P-C4' energy: -13.449 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -11.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -144.333462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.333462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.333462 (E_RNA) where: Base-Base interactions energy: -82.833 where: short stacking energy: -42.540 Base-Backbone interact. energy: -0.183 local terms energy: -61.317211 where: bonds (distance) C4'-P energy: -14.480 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -10.203 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -9.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -79.240448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.240448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.240448 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -28.759 Base-Backbone interact. energy: -0.074 local terms energy: -49.564978 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: -6.085 tors. eta vs tors. theta energy: -3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -87.325466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.325466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.325466 (E_RNA) where: Base-Base interactions energy: -34.991 where: short stacking energy: -32.251 Base-Backbone interact. energy: 0.381 local terms energy: -52.715374 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -10.452 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -11.995 tors. eta vs tors. theta energy: -4.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -223.792156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.792156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.792156 (E_RNA) where: Base-Base interactions energy: -147.030 where: short stacking energy: -75.208 Base-Backbone interact. energy: -0.300 local terms energy: -76.462524 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -16.186 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -13.077 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -218.485467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.485467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.485467 (E_RNA) where: Base-Base interactions energy: -139.290 where: short stacking energy: -62.122 Base-Backbone interact. energy: -0.641 local terms energy: -78.554840 where: bonds (distance) C4'-P energy: -15.985 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -10.878 tors. eta vs tors. theta energy: -19.856 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: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -211.210870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.210870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.210870 (E_RNA) where: Base-Base interactions energy: -141.780 where: short stacking energy: -52.640 Base-Backbone interact. energy: -0.121 local terms energy: -69.309570 where: bonds (distance) C4'-P energy: -14.646 bonds (distance) P-C4' energy: -15.813 flat angles C4'-P-C4' energy: -13.013 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -15.127 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: 6 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -203.552319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.552319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.552319 (E_RNA) where: Base-Base interactions energy: -131.631 where: short stacking energy: -63.865 Base-Backbone interact. energy: -0.000 local terms energy: -71.921251 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -20.645 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: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -199.362180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.362180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.362180 (E_RNA) where: Base-Base interactions energy: -124.732 where: short stacking energy: -55.778 Base-Backbone interact. energy: 0.284 local terms energy: -74.914598 where: bonds (distance) C4'-P energy: -15.106 bonds (distance) P-C4' energy: -16.646 flat angles C4'-P-C4' energy: -16.286 flat angles P-C4'-P energy: -7.551 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -192.314752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.314752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.314752 (E_RNA) where: Base-Base interactions energy: -125.930 where: short stacking energy: -53.309 Base-Backbone interact. energy: -0.042 local terms energy: -66.342201 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -16.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -174.840374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.840374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.840374 (E_RNA) where: Base-Base interactions energy: -101.321 where: short stacking energy: -56.226 Base-Backbone interact. energy: -0.723 local terms energy: -72.796098 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -14.203 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -17.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -132.826330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.826330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.826330 (E_RNA) where: Base-Base interactions energy: -77.712 where: short stacking energy: -40.427 Base-Backbone interact. energy: -0.071 local terms energy: -55.043243 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -10.819 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: 8 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -77.437845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.437845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.437845 (E_RNA) where: Base-Base interactions energy: -28.347 where: short stacking energy: -28.347 Base-Backbone interact. energy: -0.049 local terms energy: -49.041415 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -2.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -80.198194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.198194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.198194 (E_RNA) where: Base-Base interactions energy: -24.820 where: short stacking energy: -24.820 Base-Backbone interact. energy: -0.053 local terms energy: -55.325806 where: bonds (distance) C4'-P energy: -11.045 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -6.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -222.026769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.026769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.026769 (E_RNA) where: Base-Base interactions energy: -153.953 where: short stacking energy: -59.892 Base-Backbone interact. energy: -0.106 local terms energy: -67.967474 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -16.713 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -218.667981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.667981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.667981 (E_RNA) where: Base-Base interactions energy: -145.318 where: short stacking energy: -66.377 Base-Backbone interact. energy: 0.870 local terms energy: -74.219434 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -12.786 tors. eta vs tors. theta energy: -18.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -212.862209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.862209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.862209 (E_RNA) where: Base-Base interactions energy: -135.779 where: short stacking energy: -58.791 Base-Backbone interact. energy: -0.575 local terms energy: -76.508459 where: bonds (distance) C4'-P energy: -15.177 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -12.422 tors. eta vs tors. theta energy: -19.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -210.347714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.347714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.347714 (E_RNA) where: Base-Base interactions energy: -138.115 where: short stacking energy: -61.367 Base-Backbone interact. energy: -1.187 local terms energy: -71.046039 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -16.427 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -19.352 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: 128 Temperature: 1.100000 Total energy: -208.096423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.096423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.096423 (E_RNA) where: Base-Base interactions energy: -136.723 where: short stacking energy: -56.309 Base-Backbone interact. energy: 0.012 local terms energy: -71.385781 where: bonds (distance) C4'-P energy: -13.941 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -14.822 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -208.394909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.394909 (E_RNA) where: Base-Base interactions energy: -143.087 where: short stacking energy: -49.818 Base-Backbone interact. energy: -0.090 local terms energy: -65.218197 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -15.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -133.272681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.272681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.272681 (E_RNA) where: Base-Base interactions energy: -79.960 where: short stacking energy: -31.452 Base-Backbone interact. energy: -0.188 local terms energy: -53.125084 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -5.448 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -153.833112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.833112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.833112 (E_RNA) where: Base-Base interactions energy: -91.752 where: short stacking energy: -42.865 Base-Backbone interact. energy: 0.682 local terms energy: -62.763568 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -13.275 flat angles P-C4'-P energy: -9.161 tors. eta vs tors. theta energy: -11.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -84.436305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.436305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.436305 (E_RNA) where: Base-Base interactions energy: -28.739 where: short stacking energy: -28.739 Base-Backbone interact. energy: -0.049 local terms energy: -55.647934 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: -7.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -75.948771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.948771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.948771 (E_RNA) where: Base-Base interactions energy: -36.601 where: short stacking energy: -27.651 Base-Backbone interact. energy: -0.453 local terms energy: -38.895274 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -12.235 flat angles C4'-P-C4' energy: -9.721 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -221.935474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.935474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.935474 (E_RNA) where: Base-Base interactions energy: -147.179 where: short stacking energy: -54.173 Base-Backbone interact. energy: -0.074 local terms energy: -74.683206 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -17.125 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -15.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -218.328215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.328215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.328215 (E_RNA) where: Base-Base interactions energy: -143.149 where: short stacking energy: -62.546 Base-Backbone interact. energy: -0.008 local terms energy: -75.171593 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -12.427 flat angles C4'-P-C4' energy: -16.113 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -19.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -211.921432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.921432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.921432 (E_RNA) where: Base-Base interactions energy: -139.843 where: short stacking energy: -62.890 Base-Backbone interact. energy: -0.001 local terms energy: -72.078130 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -20.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -212.461609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.461609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.461609 (E_RNA) where: Base-Base interactions energy: -142.194 where: short stacking energy: -62.016 Base-Backbone interact. energy: -0.761 local terms energy: -69.506013 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -17.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -203.924396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.924396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.924396 (E_RNA) where: Base-Base interactions energy: -130.807 where: short stacking energy: -59.568 Base-Backbone interact. energy: -0.419 local terms energy: -72.698446 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -11.292 tors. eta vs tors. theta energy: -20.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -193.908193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.908193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.908193 (E_RNA) where: Base-Base interactions energy: -125.903 where: short stacking energy: -53.824 Base-Backbone interact. energy: -0.052 local terms energy: -67.953040 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -14.390 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -12.920 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: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -134.827442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.827442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.827442 (E_RNA) where: Base-Base interactions energy: -83.878 where: short stacking energy: -43.169 Base-Backbone interact. energy: 0.250 local terms energy: -51.199973 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -11.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -81.017749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.017749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.017749 (E_RNA) where: Base-Base interactions energy: -29.761 where: short stacking energy: -29.761 Base-Backbone interact. energy: -0.087 local terms energy: -51.170136 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -7.469 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -136.221076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.221076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.221076 (E_RNA) where: Base-Base interactions energy: -79.683 where: short stacking energy: -39.215 Base-Backbone interact. energy: -0.110 local terms energy: -56.428067 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -10.446 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -12.009 tors. eta vs tors. theta energy: -4.966 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: 8 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -73.123094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.123094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.123094 (E_RNA) where: Base-Base interactions energy: -28.568 where: short stacking energy: -18.964 Base-Backbone interact. energy: -0.063 local terms energy: -44.492516 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -11.483 tors. eta vs tors. theta energy: 2.797 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: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -214.543954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.543954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.543954 (E_RNA) where: Base-Base interactions energy: -140.578 where: short stacking energy: -68.059 Base-Backbone interact. energy: -0.289 local terms energy: -73.677073 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -9.835 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -21.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -217.961504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.961504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.961504 (E_RNA) where: Base-Base interactions energy: -143.964 where: short stacking energy: -65.547 Base-Backbone interact. energy: -1.486 local terms energy: -72.512188 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -217.337428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.337428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.337428 (E_RNA) where: Base-Base interactions energy: -141.002 where: short stacking energy: -63.508 Base-Backbone interact. energy: -0.101 local terms energy: -76.234519 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -16.557 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -21.169 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: 4, replica: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -205.784799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.784799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.784799 (E_RNA) where: Base-Base interactions energy: -138.316 where: short stacking energy: -54.727 Base-Backbone interact. energy: -0.098 local terms energy: -67.369929 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -14.185 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -13.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -192.024613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.024613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.024613 (E_RNA) where: Base-Base interactions energy: -128.761 where: short stacking energy: -60.976 Base-Backbone interact. energy: -0.340 local terms energy: -62.922999 where: bonds (distance) C4'-P energy: -11.342 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -14.762 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -192.604327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.604327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.604327 (E_RNA) where: Base-Base interactions energy: -124.302 where: short stacking energy: -50.408 Base-Backbone interact. energy: -0.797 local terms energy: -67.505160 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -86.310557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.310557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.310557 (E_RNA) where: Base-Base interactions energy: -38.364 where: short stacking energy: -25.870 Base-Backbone interact. energy: 1.835 local terms energy: -49.781806 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -11.540 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -3.843 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: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -103.646028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.646028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.646028 (E_RNA) where: Base-Base interactions energy: -59.021 where: short stacking energy: -19.729 Base-Backbone interact. energy: -0.232 local terms energy: -44.393488 where: bonds (distance) C4'-P energy: -10.054 bonds (distance) P-C4' energy: -8.720 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -3.449 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: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -162.387713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.387713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.387713 (E_RNA) where: Base-Base interactions energy: -107.871 where: short stacking energy: -41.959 Base-Backbone interact. energy: -0.359 local terms energy: -54.158387 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: -7.237 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: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -96.174737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.174737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.174737 (E_RNA) where: Base-Base interactions energy: -51.019 where: short stacking energy: -30.567 Base-Backbone interact. energy: 0.072 local terms energy: -45.227799 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -9.165 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -7.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -222.984559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.984559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.984559 (E_RNA) where: Base-Base interactions energy: -149.219 where: short stacking energy: -70.289 Base-Backbone interact. energy: 2.609 local terms energy: -76.375124 where: bonds (distance) C4'-P energy: -14.821 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -17.186 flat angles P-C4'-P energy: -12.494 tors. eta vs tors. theta energy: -18.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -216.959716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.959716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.959716 (E_RNA) where: Base-Base interactions energy: -146.002 where: short stacking energy: -61.814 Base-Backbone interact. energy: -2.969 local terms energy: -67.988889 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -19.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -200.921928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.921928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.921928 (E_RNA) where: Base-Base interactions energy: -137.074 where: short stacking energy: -53.823 Base-Backbone interact. energy: 0.140 local terms energy: -63.988322 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -17.334 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -14.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -193.347288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.347288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.347288 (E_RNA) where: Base-Base interactions energy: -134.342 where: short stacking energy: -54.424 Base-Backbone interact. energy: -0.134 local terms energy: -58.871504 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -11.203 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -211.616178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.616178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.616178 (E_RNA) where: Base-Base interactions energy: -147.568 where: short stacking energy: -61.721 Base-Backbone interact. energy: 0.430 local terms energy: -64.477730 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -9.304 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -199.798800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.798800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.798800 (E_RNA) where: Base-Base interactions energy: -140.222 where: short stacking energy: -45.654 Base-Backbone interact. energy: -0.094 local terms energy: -59.482137 where: bonds (distance) C4'-P energy: -9.185 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -13.008 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -99.390750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.390750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.390750 (E_RNA) where: Base-Base interactions energy: -43.897 where: short stacking energy: -27.339 Base-Backbone interact. energy: 0.486 local terms energy: -55.979526 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -9.592 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: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -111.906597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.906597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.906597 (E_RNA) where: Base-Base interactions energy: -74.744 where: short stacking energy: -27.296 Base-Backbone interact. energy: -0.132 local terms energy: -37.030061 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -3.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -92.557343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.557343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.557343 (E_RNA) where: Base-Base interactions energy: -47.048 where: short stacking energy: -35.682 Base-Backbone interact. energy: -0.061 local terms energy: -45.448227 where: bonds (distance) C4'-P energy: -8.801 bonds (distance) P-C4' energy: -10.971 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -4.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -73.669216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.669216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.669216 (E_RNA) where: Base-Base interactions energy: -35.631 where: short stacking energy: -17.673 Base-Backbone interact. energy: 0.057 local terms energy: -38.095974 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -10.851 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: 1.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -218.237567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.237567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.237567 (E_RNA) where: Base-Base interactions energy: -145.772 where: short stacking energy: -65.109 Base-Backbone interact. energy: -1.135 local terms energy: -71.329911 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -17.566 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: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -217.236198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.236198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.236198 (E_RNA) where: Base-Base interactions energy: -139.681 where: short stacking energy: -65.810 Base-Backbone interact. energy: -2.636 local terms energy: -74.919586 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -14.309 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -21.445 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: 3, replica: 10 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -205.957671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.957671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.957671 (E_RNA) where: Base-Base interactions energy: -137.955 where: short stacking energy: -59.619 Base-Backbone interact. energy: -0.042 local terms energy: -67.960987 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -20.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -206.578030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.578030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.578030 (E_RNA) where: Base-Base interactions energy: -142.212 where: short stacking energy: -53.584 Base-Backbone interact. energy: -0.158 local terms energy: -64.208858 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -6.036 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -15.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -216.320849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.320849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.320849 (E_RNA) where: Base-Base interactions energy: -139.588 where: short stacking energy: -67.430 Base-Backbone interact. energy: -0.003 local terms energy: -76.729897 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -17.957 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -22.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -205.180128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.180128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.180128 (E_RNA) where: Base-Base interactions energy: -130.139 where: short stacking energy: -58.468 Base-Backbone interact. energy: -0.042 local terms energy: -74.998403 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -14.468 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -13.661 tors. eta vs tors. theta energy: -17.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -91.144970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.144970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.144970 (E_RNA) where: Base-Base interactions energy: -34.266 where: short stacking energy: -34.266 Base-Backbone interact. energy: -0.112 local terms energy: -56.767392 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -9.960 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -10.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -90.253317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.253317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.253317 (E_RNA) where: Base-Base interactions energy: -43.630 where: short stacking energy: -28.395 Base-Backbone interact. energy: -0.518 local terms energy: -46.104718 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -12.998 flat angles C4'-P-C4' energy: -10.151 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -6.147 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: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -74.331647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.331647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.331647 (E_RNA) where: Base-Base interactions energy: -26.630 where: short stacking energy: -17.785 Base-Backbone interact. energy: -0.107 local terms energy: -47.594643 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -9.339 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -5.489 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: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -69.598123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598123 (E_RNA) where: Base-Base interactions energy: -18.602 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.137 local terms energy: -50.859375 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -10.982 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -218.377195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.377195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.377195 (E_RNA) where: Base-Base interactions energy: -145.270 where: short stacking energy: -68.708 Base-Backbone interact. energy: -0.000 local terms energy: -73.106946 where: bonds (distance) C4'-P energy: -15.016 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -21.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -216.684497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.684497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.684497 (E_RNA) where: Base-Base interactions energy: -144.063 where: short stacking energy: -72.131 Base-Backbone interact. energy: -0.001 local terms energy: -72.621113 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -20.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -206.921376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.921376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.921376 (E_RNA) where: Base-Base interactions energy: -143.264 where: short stacking energy: -65.764 Base-Backbone interact. energy: -0.099 local terms energy: -63.557904 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -7.578 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -20.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -216.806942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.806942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.806942 (E_RNA) where: Base-Base interactions energy: -142.639 where: short stacking energy: -71.154 Base-Backbone interact. energy: -0.499 local terms energy: -73.669088 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -13.505 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -22.197 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: 5, replica: 1 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -203.440583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.440583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.440583 (E_RNA) where: Base-Base interactions energy: -131.314 where: short stacking energy: -57.035 Base-Backbone interact. energy: -1.286 local terms energy: -70.841490 where: bonds (distance) C4'-P energy: -14.414 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -9.664 tors. eta vs tors. theta energy: -17.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -204.432783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.432783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.432783 (E_RNA) where: Base-Base interactions energy: -131.997 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.183 local terms energy: -72.252981 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -17.278 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -18.033 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: 4 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -85.652060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.652060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.652060 (E_RNA) where: Base-Base interactions energy: -36.873 where: short stacking energy: -36.873 Base-Backbone interact. energy: -0.111 local terms energy: -48.667328 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -9.895 flat angles P-C4'-P energy: -7.031 tors. eta vs tors. theta energy: -8.239 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: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -87.239674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.239674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.239674 (E_RNA) where: Base-Base interactions energy: -29.472 where: short stacking energy: -29.472 Base-Backbone interact. energy: -0.082 local terms energy: -57.685005 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -9.749 tors. eta vs tors. theta energy: -7.950 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: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -73.059261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.059261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.059261 (E_RNA) where: Base-Base interactions energy: -29.006 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.198 local terms energy: -43.854940 where: bonds (distance) C4'-P energy: -10.498 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -12.929 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -1.061 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: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -71.601192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.601192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.601192 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.093 local terms energy: -51.358163 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -5.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -226.431301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.431301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.431301 (E_RNA) where: Base-Base interactions energy: -154.249 where: short stacking energy: -68.077 Base-Backbone interact. energy: -0.065 local terms energy: -72.117474 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -20.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -215.574503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.574503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.574503 (E_RNA) where: Base-Base interactions energy: -149.111 where: short stacking energy: -61.801 Base-Backbone interact. energy: -0.281 local terms energy: -66.182357 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -11.012 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -20.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -212.895625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.895625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.895625 (E_RNA) where: Base-Base interactions energy: -142.853 where: short stacking energy: -64.656 Base-Backbone interact. energy: -0.005 local terms energy: -70.038146 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -19.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -212.632649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.632649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.632649 (E_RNA) where: Base-Base interactions energy: -140.480 where: short stacking energy: -63.080 Base-Backbone interact. energy: -0.003 local terms energy: -72.149160 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -198.005868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.005868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.005868 (E_RNA) where: Base-Base interactions energy: -130.076 where: short stacking energy: -54.354 Base-Backbone interact. energy: -0.051 local terms energy: -67.878562 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -12.824 tors. eta vs tors. theta energy: -17.838 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: 6, replica: 1 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -201.941380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.941380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.941380 (E_RNA) where: Base-Base interactions energy: -130.943 where: short stacking energy: -55.412 Base-Backbone interact. energy: 0.080 local terms energy: -71.079151 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -15.828 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -15.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -78.595373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.595373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.595373 (E_RNA) where: Base-Base interactions energy: -26.279 where: short stacking energy: -26.279 Base-Backbone interact. energy: -0.158 local terms energy: -52.158217 where: bonds (distance) C4'-P energy: -13.925 bonds (distance) P-C4' energy: -12.668 flat angles C4'-P-C4' energy: -10.834 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -75.060000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.060000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.060000 (E_RNA) where: Base-Base interactions energy: -25.875 where: short stacking energy: -25.502 Base-Backbone interact. energy: -0.138 local terms energy: -49.047419 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -10.226 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -81.708541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.708541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.708541 (E_RNA) where: Base-Base interactions energy: -36.361 where: short stacking energy: -35.573 Base-Backbone interact. energy: -0.163 local terms energy: -45.184295 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -12.136 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -68.588517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.588517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.588517 (E_RNA) where: Base-Base interactions energy: -28.863 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.129 local terms energy: -39.596964 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -0.552 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -227.358049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.358049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.358049 (E_RNA) where: Base-Base interactions energy: -151.162 where: short stacking energy: -64.447 Base-Backbone interact. energy: -0.183 local terms energy: -76.012815 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -17.520 flat angles C4'-P-C4' energy: -16.070 flat angles P-C4'-P energy: -11.528 tors. eta vs tors. theta energy: -20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -217.564840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.564840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.564840 (E_RNA) where: Base-Base interactions energy: -142.574 where: short stacking energy: -55.626 Base-Backbone interact. energy: -0.806 local terms energy: -74.185370 where: bonds (distance) C4'-P energy: -16.480 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -13.098 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -19.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -215.791502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.791502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.791502 (E_RNA) where: Base-Base interactions energy: -137.081 where: short stacking energy: -59.550 Base-Backbone interact. energy: -0.985 local terms energy: -77.726180 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -14.702 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -21.916 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: 3 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -201.649904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.649904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.649904 (E_RNA) where: Base-Base interactions energy: -131.662 where: short stacking energy: -60.008 Base-Backbone interact. energy: -0.922 local terms energy: -69.065472 where: bonds (distance) C4'-P energy: -14.587 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -15.423 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -18.711 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: 10 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -210.231301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.231301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.231301 (E_RNA) where: Base-Base interactions energy: -132.362 where: short stacking energy: -65.658 Base-Backbone interact. energy: -0.873 local terms energy: -76.996628 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -22.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -201.195785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.195785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.195785 (E_RNA) where: Base-Base interactions energy: -137.641 where: short stacking energy: -64.393 Base-Backbone interact. energy: -0.327 local terms energy: -63.227942 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -8.468 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -18.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -99.941959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.941959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.941959 (E_RNA) where: Base-Base interactions energy: -46.317 where: short stacking energy: -42.014 Base-Backbone interact. energy: -0.278 local terms energy: -53.346879 where: bonds (distance) C4'-P energy: -9.902 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -11.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -79.653940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.653940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.653940 (E_RNA) where: Base-Base interactions energy: -38.829 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.095 local terms energy: -40.729531 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -13.154 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: 3.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -77.758160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.758160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.758160 (E_RNA) where: Base-Base interactions energy: -34.498 where: short stacking energy: -25.496 Base-Backbone interact. energy: -0.366 local terms energy: -42.894544 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -8.445 tors. eta vs tors. theta energy: -1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -73.032456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.032456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.032456 (E_RNA) where: Base-Base interactions energy: -24.557 where: short stacking energy: -24.557 Base-Backbone interact. energy: -0.151 local terms energy: -48.323795 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -11.381 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -2.802 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: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -218.748974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.748974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.748974 (E_RNA) where: Base-Base interactions energy: -146.320 where: short stacking energy: -62.635 Base-Backbone interact. energy: -0.672 local terms energy: -71.756321 where: bonds (distance) C4'-P energy: -16.774 bonds (distance) P-C4' energy: -16.321 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -18.940 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: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -220.395211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.395211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.395211 (E_RNA) where: Base-Base interactions energy: -154.798 where: short stacking energy: -66.369 Base-Backbone interact. energy: 0.745 local terms energy: -66.341997 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -15.465 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: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -217.772400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.772400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.772400 (E_RNA) where: Base-Base interactions energy: -149.125 where: short stacking energy: -66.525 Base-Backbone interact. energy: -0.075 local terms energy: -68.572429 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -19.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -207.197043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.197043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.197043 (E_RNA) where: Base-Base interactions energy: -139.473 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.719 local terms energy: -67.004581 where: bonds (distance) C4'-P energy: -10.588 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -15.036 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: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -210.626002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.626002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.626002 (E_RNA) where: Base-Base interactions energy: -134.655 where: short stacking energy: -62.824 Base-Backbone interact. energy: -0.129 local terms energy: -75.842404 where: bonds (distance) C4'-P energy: -14.383 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -11.384 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -196.102535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.102535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.102535 (E_RNA) where: Base-Base interactions energy: -133.074 where: short stacking energy: -54.540 Base-Backbone interact. energy: -0.246 local terms energy: -62.782958 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -9.249 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -88.535988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.535988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.535988 (E_RNA) where: Base-Base interactions energy: -33.970 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.007 local terms energy: -54.559595 where: bonds (distance) C4'-P energy: -12.077 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -7.339 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: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -75.277645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.277645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.277645 (E_RNA) where: Base-Base interactions energy: -30.470 where: short stacking energy: -23.334 Base-Backbone interact. energy: -0.115 local terms energy: -44.692357 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -4.355 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: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -83.245889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.245889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.245889 (E_RNA) where: Base-Base interactions energy: -30.406 where: short stacking energy: -30.406 Base-Backbone interact. energy: -0.014 local terms energy: -52.825883 where: bonds (distance) C4'-P energy: -14.430 bonds (distance) P-C4' energy: -8.849 flat angles C4'-P-C4' energy: -15.066 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -7.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -80.224029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.224029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.224029 (E_RNA) where: Base-Base interactions energy: -30.939 where: short stacking energy: -30.939 Base-Backbone interact. energy: -0.106 local terms energy: -49.178902 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -10.880 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -225.620730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.620730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.620730 (E_RNA) where: Base-Base interactions energy: -157.111 where: short stacking energy: -68.722 Base-Backbone interact. energy: -1.038 local terms energy: -67.471465 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -12.849 tors. eta vs tors. theta energy: -19.550 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: 6 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -214.818915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.818915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.818915 (E_RNA) where: Base-Base interactions energy: -141.031 where: short stacking energy: -64.813 Base-Backbone interact. energy: -0.641 local terms energy: -73.147564 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -17.569 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -17.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -213.449892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.449892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.449892 (E_RNA) where: Base-Base interactions energy: -137.912 where: short stacking energy: -63.865 Base-Backbone interact. energy: -0.019 local terms energy: -75.519140 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -16.961 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -20.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -209.932246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.932246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.932246 (E_RNA) where: Base-Base interactions energy: -139.763 where: short stacking energy: -64.417 Base-Backbone interact. energy: 0.075 local terms energy: -70.244053 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -16.745 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -194.720346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.720346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.720346 (E_RNA) where: Base-Base interactions energy: -125.826 where: short stacking energy: -61.570 Base-Backbone interact. energy: -0.119 local terms energy: -68.776053 where: bonds (distance) C4'-P energy: -13.847 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -11.376 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -192.483446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.483446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.483446 (E_RNA) where: Base-Base interactions energy: -134.192 where: short stacking energy: -56.355 Base-Backbone interact. energy: -0.312 local terms energy: -57.979981 where: bonds (distance) C4'-P energy: -9.687 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -14.872 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: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -92.301286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.301286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.301286 (E_RNA) where: Base-Base interactions energy: -47.308 where: short stacking energy: -34.928 Base-Backbone interact. energy: -0.146 local terms energy: -44.847174 where: bonds (distance) C4'-P energy: -9.840 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -88.763008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.763008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.763008 (E_RNA) where: Base-Base interactions energy: -32.141 where: short stacking energy: -32.141 Base-Backbone interact. energy: -0.092 local terms energy: -56.529693 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -10.241 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -10.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -104.728780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.728780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.728780 (E_RNA) where: Base-Base interactions energy: -59.429 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.116 local terms energy: -45.183775 where: bonds (distance) C4'-P energy: -9.177 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -3.580 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: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -75.749448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.749448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.749448 (E_RNA) where: Base-Base interactions energy: -25.016 where: short stacking energy: -24.706 Base-Backbone interact. energy: -0.154 local terms energy: -50.579145 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -212.228108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.228108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.228108 (E_RNA) where: Base-Base interactions energy: -144.373 where: short stacking energy: -60.843 Base-Backbone interact. energy: -0.866 local terms energy: -66.989062 where: bonds (distance) C4'-P energy: -10.536 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -11.250 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -209.279833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.279833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.279833 (E_RNA) where: Base-Base interactions energy: -141.174 where: short stacking energy: -57.049 Base-Backbone interact. energy: -0.060 local terms energy: -68.046013 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -16.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -212.957756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.957756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.957756 (E_RNA) where: Base-Base interactions energy: -137.122 where: short stacking energy: -62.606 Base-Backbone interact. energy: -0.612 local terms energy: -75.222970 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -13.998 tors. eta vs tors. theta energy: -19.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -211.672895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.672895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.672895 (E_RNA) where: Base-Base interactions energy: -135.478 where: short stacking energy: -62.153 Base-Backbone interact. energy: -0.703 local terms energy: -75.492185 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -20.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -200.198681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.198681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.198681 (E_RNA) where: Base-Base interactions energy: -133.720 where: short stacking energy: -57.940 Base-Backbone interact. energy: -0.293 local terms energy: -66.185839 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -12.508 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: -16.242 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: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -195.888590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.888590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.888590 (E_RNA) where: Base-Base interactions energy: -133.371 where: short stacking energy: -54.967 Base-Backbone interact. energy: -0.483 local terms energy: -62.034491 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -12.067 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -12.002 tors. eta vs tors. theta energy: -13.954 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: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -86.029800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.029800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.029800 (E_RNA) where: Base-Base interactions energy: -37.125 where: short stacking energy: -37.125 Base-Backbone interact. energy: -0.207 local terms energy: -48.697664 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -10.038 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -8.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -77.749144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.749144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.749144 (E_RNA) where: Base-Base interactions energy: -23.621 where: short stacking energy: -21.333 Base-Backbone interact. energy: -0.247 local terms energy: -53.880475 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -6.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -71.340435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.340435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.340435 (E_RNA) where: Base-Base interactions energy: -23.292 where: short stacking energy: -23.292 Base-Backbone interact. energy: -0.167 local terms energy: -47.881819 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -8.779 tors. eta vs tors. theta energy: -0.166 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: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -66.310572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.310572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.310572 (E_RNA) where: Base-Base interactions energy: -18.149 where: short stacking energy: -18.149 Base-Backbone interact. energy: -0.374 local terms energy: -47.787628 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -10.359 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: 6 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -211.954986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.954986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.954986 (E_RNA) where: Base-Base interactions energy: -139.544 where: short stacking energy: -60.018 Base-Backbone interact. energy: -0.136 local terms energy: -72.275511 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -13.110 tors. eta vs tors. theta energy: -18.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -224.461881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.461881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.461881 (E_RNA) where: Base-Base interactions energy: -150.625 where: short stacking energy: -70.662 Base-Backbone interact. energy: -0.114 local terms energy: -73.722617 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -12.982 tors. eta vs tors. theta energy: -21.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -215.901251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.901251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.901251 (E_RNA) where: Base-Base interactions energy: -144.212 where: short stacking energy: -60.155 Base-Backbone interact. energy: -0.001 local terms energy: -71.687693 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -16.404 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -208.112502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.112502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.112502 (E_RNA) where: Base-Base interactions energy: -135.966 where: short stacking energy: -55.179 Base-Backbone interact. energy: -0.087 local terms energy: -72.059582 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -17.498 flat angles C4'-P-C4' energy: -17.146 flat angles P-C4'-P energy: -7.200 tors. eta vs tors. theta energy: -17.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -203.864029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.864029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.864029 (E_RNA) where: Base-Base interactions energy: -144.626 where: short stacking energy: -64.226 Base-Backbone interact. energy: 1.860 local terms energy: -61.097578 where: bonds (distance) C4'-P energy: -4.443 bonds (distance) P-C4' energy: -12.737 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -12.871 tors. eta vs tors. theta energy: -17.102 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: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -194.213093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.213093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.213093 (E_RNA) where: Base-Base interactions energy: -125.514 where: short stacking energy: -59.717 Base-Backbone interact. energy: -0.428 local terms energy: -68.270984 where: bonds (distance) C4'-P energy: -9.720 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -14.230 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -21.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -79.288261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.288261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.288261 (E_RNA) where: Base-Base interactions energy: -36.765 where: short stacking energy: -23.961 Base-Backbone interact. energy: 0.291 local terms energy: -42.814878 where: bonds (distance) C4'-P energy: -11.511 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -78.485082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.485082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.485082 (E_RNA) where: Base-Base interactions energy: -31.348 where: short stacking energy: -28.698 Base-Backbone interact. energy: 0.527 local terms energy: -47.663698 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -5.097 tors. eta vs tors. theta energy: -5.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -82.623963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.623963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.623963 (E_RNA) where: Base-Base interactions energy: -35.505 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.008 local terms energy: -47.111505 where: bonds (distance) C4'-P energy: -9.228 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -8.071 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -75.665186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.665186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.665186 (E_RNA) where: Base-Base interactions energy: -21.731 where: short stacking energy: -21.731 Base-Backbone interact. energy: -0.132 local terms energy: -53.802624 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -11.704 flat angles P-C4'-P energy: -10.522 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -220.169763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.169763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.169763 (E_RNA) where: Base-Base interactions energy: -142.533 where: short stacking energy: -65.442 Base-Backbone interact. energy: -0.028 local terms energy: -77.609173 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -12.485 tors. eta vs tors. theta energy: -19.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -210.221535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.221535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.221535 (E_RNA) where: Base-Base interactions energy: -141.065 where: short stacking energy: -57.732 Base-Backbone interact. energy: -0.002 local terms energy: -69.154682 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -11.974 tors. eta vs tors. theta energy: -14.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -206.180639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.180639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.180639 (E_RNA) where: Base-Base interactions energy: -137.047 where: short stacking energy: -56.927 Base-Backbone interact. energy: -0.103 local terms energy: -69.030092 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -17.127 flat angles C4'-P-C4' energy: -13.897 flat angles P-C4'-P energy: -11.187 tors. eta vs tors. theta energy: -13.035 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: 5 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -213.042329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.042329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.042329 (E_RNA) where: Base-Base interactions energy: -139.720 where: short stacking energy: -64.215 Base-Backbone interact. energy: -0.000 local terms energy: -73.322590 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -17.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -214.707877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.707877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.707877 (E_RNA) where: Base-Base interactions energy: -139.381 where: short stacking energy: -68.872 Base-Backbone interact. energy: -0.322 local terms energy: -75.005238 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -13.118 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -19.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -195.385229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.385229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.385229 (E_RNA) where: Base-Base interactions energy: -126.860 where: short stacking energy: -55.556 Base-Backbone interact. energy: -0.314 local terms energy: -68.210314 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -8.460 tors. eta vs tors. theta energy: -16.806 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: 9 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -83.238035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.238035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.238035 (E_RNA) where: Base-Base interactions energy: -34.765 where: short stacking energy: -23.930 Base-Backbone interact. energy: -0.009 local terms energy: -48.463892 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -12.867 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -7.874 tors. eta vs tors. theta energy: -2.457 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: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -79.335239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.335239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.335239 (E_RNA) where: Base-Base interactions energy: -32.570 where: short stacking energy: -32.844 Base-Backbone interact. energy: -0.094 local terms energy: -46.671411 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -89.900851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.900851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.900851 (E_RNA) where: Base-Base interactions energy: -36.391 where: short stacking energy: -36.391 Base-Backbone interact. energy: -0.161 local terms energy: -53.348150 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -5.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -75.786718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.786718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.786718 (E_RNA) where: Base-Base interactions energy: -28.902 where: short stacking energy: -28.902 Base-Backbone interact. energy: -0.047 local terms energy: -46.838120 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -4.231 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: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -229.899877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.899877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.899877 (E_RNA) where: Base-Base interactions energy: -151.366 where: short stacking energy: -65.550 Base-Backbone interact. energy: -0.254 local terms energy: -78.278947 where: bonds (distance) C4'-P energy: -16.235 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -19.056 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: 2, replica: 3 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -215.127881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.127881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.127881 (E_RNA) where: Base-Base interactions energy: -140.272 where: short stacking energy: -54.152 Base-Backbone interact. energy: -0.114 local terms energy: -74.742270 where: bonds (distance) C4'-P energy: -14.915 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -13.222 tors. eta vs tors. theta energy: -15.768 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: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -212.095007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.095007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.095007 (E_RNA) where: Base-Base interactions energy: -137.602 where: short stacking energy: -63.531 Base-Backbone interact. energy: -0.429 local terms energy: -74.064202 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -15.963 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -19.671 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: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -201.141203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.141203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.141203 (E_RNA) where: Base-Base interactions energy: -127.378 where: short stacking energy: -58.846 Base-Backbone interact. energy: -0.166 local terms energy: -73.596768 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -15.521 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -20.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -201.634790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.634790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.634790 (E_RNA) where: Base-Base interactions energy: -132.424 where: short stacking energy: -53.158 Base-Backbone interact. energy: -0.218 local terms energy: -68.992997 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -18.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -200.021810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.021810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.021810 (E_RNA) where: Base-Base interactions energy: -130.167 where: short stacking energy: -61.709 Base-Backbone interact. energy: -0.162 local terms energy: -69.692846 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -16.792 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -20.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -82.407304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.407304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.407304 (E_RNA) where: Base-Base interactions energy: -38.270 where: short stacking energy: -38.094 Base-Backbone interact. energy: -0.302 local terms energy: -43.834728 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -11.624 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -3.077 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: 8, replica: 4 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -80.523554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.523554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.523554 (E_RNA) where: Base-Base interactions energy: -33.001 where: short stacking energy: -33.001 Base-Backbone interact. energy: 0.266 local terms energy: -47.787786 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: 2.961 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: 8 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -74.765677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.765677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.765677 (E_RNA) where: Base-Base interactions energy: -29.951 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.147 local terms energy: -44.667547 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -10.397 flat angles P-C4'-P energy: -8.326 tors. eta vs tors. theta energy: -1.032 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: 7 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -75.773977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.773977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.773977 (E_RNA) where: Base-Base interactions energy: -21.348 where: short stacking energy: -21.348 Base-Backbone interact. energy: 0.243 local terms energy: -54.669479 where: bonds (distance) C4'-P energy: -11.590 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -212.610599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.610599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.610599 (E_RNA) where: Base-Base interactions energy: -142.992 where: short stacking energy: -60.443 Base-Backbone interact. energy: -0.206 local terms energy: -69.412408 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.182 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -16.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -210.895304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.895304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.895304 (E_RNA) where: Base-Base interactions energy: -140.895 where: short stacking energy: -60.668 Base-Backbone interact. energy: -0.227 local terms energy: -69.772992 where: bonds (distance) C4'-P energy: -13.091 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -11.992 tors. eta vs tors. theta energy: -16.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -215.732327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.732327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.732327 (E_RNA) where: Base-Base interactions energy: -146.115 where: short stacking energy: -61.459 Base-Backbone interact. energy: -0.020 local terms energy: -69.597337 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -13.819 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -11.002 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -208.329114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.329114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.329114 (E_RNA) where: Base-Base interactions energy: -140.056 where: short stacking energy: -62.453 Base-Backbone interact. energy: -2.734 local terms energy: -65.539269 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -9.186 flat angles C4'-P-C4' energy: -16.581 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -16.454 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: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -223.529870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.529870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.529870 (E_RNA) where: Base-Base interactions energy: -151.133 where: short stacking energy: -53.997 Base-Backbone interact. energy: -0.160 local terms energy: -72.236950 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -14.694 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -200.469196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.469196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.469196 (E_RNA) where: Base-Base interactions energy: -133.113 where: short stacking energy: -55.355 Base-Backbone interact. energy: 0.564 local terms energy: -67.920356 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -16.443 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -15.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -86.093106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.093106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.093106 (E_RNA) where: Base-Base interactions energy: -32.230 where: short stacking energy: -32.230 Base-Backbone interact. energy: -0.086 local terms energy: -53.777221 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -14.848 flat angles C4'-P-C4' energy: -9.997 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -7.964 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: 8, replica: 4 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -80.408317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.408317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.408317 (E_RNA) where: Base-Base interactions energy: -31.092 where: short stacking energy: -30.403 Base-Backbone interact. energy: -0.343 local terms energy: -48.973528 where: bonds (distance) C4'-P energy: -11.313 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: 0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -74.511824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.511824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.511824 (E_RNA) where: Base-Base interactions energy: -30.036 where: short stacking energy: -9.325 Base-Backbone interact. energy: -0.163 local terms energy: -44.312425 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: 2.363 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: 8 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -70.469462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.469462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.469462 (E_RNA) where: Base-Base interactions energy: -24.665 where: short stacking energy: -18.719 Base-Backbone interact. energy: -0.487 local terms energy: -45.317254 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -11.170 flat angles C4'-P-C4' energy: -11.008 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -220.297021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.297021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.297021 (E_RNA) where: Base-Base interactions energy: -150.590 where: short stacking energy: -62.509 Base-Backbone interact. energy: -0.065 local terms energy: -69.642068 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -19.022 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: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -215.487336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.487336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.487336 (E_RNA) where: Base-Base interactions energy: -136.498 where: short stacking energy: -61.671 Base-Backbone interact. energy: 0.327 local terms energy: -79.316116 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -16.697 flat angles P-C4'-P energy: -14.625 tors. eta vs tors. theta energy: -18.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -214.414271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.414271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.414271 (E_RNA) where: Base-Base interactions energy: -138.740 where: short stacking energy: -56.596 Base-Backbone interact. energy: -0.454 local terms energy: -75.221247 where: bonds (distance) C4'-P energy: -16.460 bonds (distance) P-C4' energy: -13.656 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -216.841648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.841648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.841648 (E_RNA) where: Base-Base interactions energy: -143.336 where: short stacking energy: -59.065 Base-Backbone interact. energy: -0.529 local terms energy: -72.976784 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -12.925 flat angles P-C4'-P energy: -10.914 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: 5, replica: 6 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -210.862267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.862267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.862267 (E_RNA) where: Base-Base interactions energy: -140.751 where: short stacking energy: -62.489 Base-Backbone interact. energy: -0.044 local terms energy: -70.067954 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -12.010 tors. eta vs tors. theta energy: -16.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -191.977860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.977860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.977860 (E_RNA) where: Base-Base interactions energy: -121.403 where: short stacking energy: -55.966 Base-Backbone interact. energy: -0.594 local terms energy: -69.981007 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -16.509 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: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -89.311334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.311334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.311334 (E_RNA) where: Base-Base interactions energy: -34.296 where: short stacking energy: -28.804 Base-Backbone interact. energy: -0.054 local terms energy: -54.960829 where: bonds (distance) C4'-P energy: -14.360 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -2.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -110.006050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.006050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.006050 (E_RNA) where: Base-Base interactions energy: -58.661 where: short stacking energy: -22.412 Base-Backbone interact. energy: -0.140 local terms energy: -51.205137 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -5.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -86.963673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.963673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.963673 (E_RNA) where: Base-Base interactions energy: -42.299 where: short stacking energy: -42.299 Base-Backbone interact. energy: -0.009 local terms energy: -44.655433 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -72.280930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.280930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.280930 (E_RNA) where: Base-Base interactions energy: -31.440 where: short stacking energy: -29.033 Base-Backbone interact. energy: -0.532 local terms energy: -40.309200 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -1.494 tors. eta vs tors. theta energy: 1.717 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: 1 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -224.854245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.854245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.854245 (E_RNA) where: Base-Base interactions energy: -152.650 where: short stacking energy: -64.532 Base-Backbone interact. energy: 0.144 local terms energy: -72.348144 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -17.421 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -218.762620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.762620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.762620 (E_RNA) where: Base-Base interactions energy: -151.660 where: short stacking energy: -65.586 Base-Backbone interact. energy: -0.854 local terms energy: -66.248077 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -11.700 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -210.018001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.018001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.018001 (E_RNA) where: Base-Base interactions energy: -140.218 where: short stacking energy: -69.351 Base-Backbone interact. energy: -0.001 local terms energy: -69.799025 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -16.134 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -12.790 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -202.651563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.651563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.651563 (E_RNA) where: Base-Base interactions energy: -138.796 where: short stacking energy: -62.390 Base-Backbone interact. energy: -1.094 local terms energy: -62.762155 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -9.847 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -15.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -192.947257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.947257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.947257 (E_RNA) where: Base-Base interactions energy: -123.983 where: short stacking energy: -51.006 Base-Backbone interact. energy: -0.237 local terms energy: -68.727158 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -14.050 tors. eta vs tors. theta energy: -14.514 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: 6 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -195.228438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.228438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.228438 (E_RNA) where: Base-Base interactions energy: -126.711 where: short stacking energy: -52.403 Base-Backbone interact. energy: 0.432 local terms energy: -68.949065 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -15.471 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -15.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -77.262858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.262858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.262858 (E_RNA) where: Base-Base interactions energy: -32.026 where: short stacking energy: -29.203 Base-Backbone interact. energy: 3.645 local terms energy: -48.882016 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -74.155309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.155309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.155309 (E_RNA) where: Base-Base interactions energy: -33.708 where: short stacking energy: -28.991 Base-Backbone interact. energy: -0.139 local terms energy: -40.307468 where: bonds (distance) C4'-P energy: -10.878 bonds (distance) P-C4' energy: -9.947 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -79.355099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.355099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.355099 (E_RNA) where: Base-Base interactions energy: -25.383 where: short stacking energy: -22.526 Base-Backbone interact. energy: -0.003 local terms energy: -53.969843 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -73.746879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.746879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.746879 (E_RNA) where: Base-Base interactions energy: -24.811 where: short stacking energy: -24.811 Base-Backbone interact. energy: -0.214 local terms energy: -48.721675 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.828 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: 1 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -222.900312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.900312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.900312 (E_RNA) where: Base-Base interactions energy: -148.074 where: short stacking energy: -62.271 Base-Backbone interact. energy: -0.064 local terms energy: -74.761594 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -12.804 tors. eta vs tors. theta energy: -18.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -215.504432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.504432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.504432 (E_RNA) where: Base-Base interactions energy: -141.503 where: short stacking energy: -64.696 Base-Backbone interact. energy: -0.044 local terms energy: -73.957718 where: bonds (distance) C4'-P energy: -16.972 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -19.547 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: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -214.317369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.317369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.317369 (E_RNA) where: Base-Base interactions energy: -145.368 where: short stacking energy: -64.965 Base-Backbone interact. energy: -0.019 local terms energy: -68.930118 where: bonds (distance) C4'-P energy: -16.505 bonds (distance) P-C4' energy: -14.717 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -14.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -209.392622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.392622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.392622 (E_RNA) where: Base-Base interactions energy: -136.470 where: short stacking energy: -54.285 Base-Backbone interact. energy: -0.206 local terms energy: -72.716063 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -15.091 flat angles P-C4'-P energy: -11.898 tors. eta vs tors. theta energy: -16.227 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: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -215.657254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.657254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.657254 (E_RNA) where: Base-Base interactions energy: -139.469 where: short stacking energy: -60.075 Base-Backbone interact. energy: 1.509 local terms energy: -77.697229 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -12.944 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: 6, replica: 6 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -195.318561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.318561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.318561 (E_RNA) where: Base-Base interactions energy: -127.589 where: short stacking energy: -54.470 Base-Backbone interact. energy: -0.621 local terms energy: -67.109114 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -15.297 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -19.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -90.295391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.295391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.295391 (E_RNA) where: Base-Base interactions energy: -36.753 where: short stacking energy: -30.121 Base-Backbone interact. energy: -0.195 local terms energy: -53.346698 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -8.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -95.439491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.439491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.439491 (E_RNA) where: Base-Base interactions energy: -39.733 where: short stacking energy: -18.181 Base-Backbone interact. energy: -0.339 local terms energy: -55.367993 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -17.221 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -8.025 tors. eta vs tors. theta energy: -1.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -96.192949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.192949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.192949 (E_RNA) where: Base-Base interactions energy: -43.386 where: short stacking energy: -35.888 Base-Backbone interact. energy: -0.248 local terms energy: -52.558993 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -10.761 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -8.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -69.448276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.448276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.448276 (E_RNA) where: Base-Base interactions energy: -34.114 where: short stacking energy: -19.032 Base-Backbone interact. energy: 0.800 local terms energy: -36.134015 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -9.875 flat angles C4'-P-C4' energy: -9.485 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -215.706651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.706651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.706651 (E_RNA) where: Base-Base interactions energy: -144.575 where: short stacking energy: -61.314 Base-Backbone interact. energy: -0.041 local terms energy: -71.090061 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -11.210 tors. eta vs tors. theta energy: -14.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -214.038190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.038190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.038190 (E_RNA) where: Base-Base interactions energy: -141.751 where: short stacking energy: -62.878 Base-Backbone interact. energy: -0.028 local terms energy: -72.259507 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -16.174 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -11.410 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: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -218.007392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.007392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.007392 (E_RNA) where: Base-Base interactions energy: -146.147 where: short stacking energy: -62.344 Base-Backbone interact. energy: -0.010 local terms energy: -71.849824 where: bonds (distance) C4'-P energy: -10.352 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: -19.407 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: 5 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -212.518478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.518478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.518478 (E_RNA) where: Base-Base interactions energy: -142.290 where: short stacking energy: -65.857 Base-Backbone interact. energy: -0.936 local terms energy: -69.292876 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -11.462 flat angles C4'-P-C4' energy: -16.261 flat angles P-C4'-P energy: -10.469 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -202.183658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.183658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.183658 (E_RNA) where: Base-Base interactions energy: -132.704 where: short stacking energy: -52.549 Base-Backbone interact. energy: -0.025 local terms energy: -69.454868 where: bonds (distance) C4'-P energy: -14.670 bonds (distance) P-C4' energy: -10.072 flat angles C4'-P-C4' energy: -15.532 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -196.173893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.173893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.173893 (E_RNA) where: Base-Base interactions energy: -137.968 where: short stacking energy: -57.583 Base-Backbone interact. energy: -0.024 local terms energy: -58.182119 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -13.171 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -6.586 tors. eta vs tors. theta energy: -14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -137.406858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.406858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.406858 (E_RNA) where: Base-Base interactions energy: -78.014 where: short stacking energy: -40.745 Base-Backbone interact. energy: -1.312 local terms energy: -58.080157 where: bonds (distance) C4'-P energy: -15.716 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -10.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -79.146249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.146249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.146249 (E_RNA) where: Base-Base interactions energy: -35.885 where: short stacking energy: -29.008 Base-Backbone interact. energy: -0.109 local terms energy: -43.152595 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -2.899 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: 9, replica: 8 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -83.299279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.299279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.299279 (E_RNA) where: Base-Base interactions energy: -35.595 where: short stacking energy: -31.753 Base-Backbone interact. energy: -0.303 local terms energy: -47.401555 where: bonds (distance) C4'-P energy: -11.546 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -1.697 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -102.748041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.748041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.748041 (E_RNA) where: Base-Base interactions energy: -52.404 where: short stacking energy: -24.883 Base-Backbone interact. energy: -0.111 local terms energy: -50.232688 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -10.704 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -9.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -213.768494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.768494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.768494 (E_RNA) where: Base-Base interactions energy: -138.664 where: short stacking energy: -62.481 Base-Backbone interact. energy: 0.283 local terms energy: -75.388002 where: bonds (distance) C4'-P energy: -14.443 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -21.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -207.950968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.950968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.950968 (E_RNA) where: Base-Base interactions energy: -135.385 where: short stacking energy: -61.072 Base-Backbone interact. energy: -0.073 local terms energy: -72.492298 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -17.213 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -21.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -211.898447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.898447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.898447 (E_RNA) where: Base-Base interactions energy: -141.755 where: short stacking energy: -66.901 Base-Backbone interact. energy: -0.002 local terms energy: -70.141418 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -11.999 tors. eta vs tors. theta energy: -17.888 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: 5 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -202.771556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.771556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.771556 (E_RNA) where: Base-Base interactions energy: -129.604 where: short stacking energy: -51.495 Base-Backbone interact. energy: -0.003 local terms energy: -73.164227 where: bonds (distance) C4'-P energy: -16.505 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -9.888 tors. eta vs tors. theta energy: -13.249 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: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -196.767947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.767947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.767947 (E_RNA) where: Base-Base interactions energy: -132.253 where: short stacking energy: -51.374 Base-Backbone interact. energy: -0.526 local terms energy: -63.988637 where: bonds (distance) C4'-P energy: -11.518 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -15.045 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -15.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -193.880206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.880206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.880206 (E_RNA) where: Base-Base interactions energy: -127.843 where: short stacking energy: -48.964 Base-Backbone interact. energy: -0.361 local terms energy: -65.675883 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -15.013 flat angles P-C4'-P energy: -8.517 tors. eta vs tors. theta energy: -14.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -138.010461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.010461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.010461 (E_RNA) where: Base-Base interactions energy: -83.420 where: short stacking energy: -44.901 Base-Backbone interact. energy: 0.245 local terms energy: -54.835918 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -12.001 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -11.655 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: 8, replica: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -96.708019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.708019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.708019 (E_RNA) where: Base-Base interactions energy: -49.663 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.799 local terms energy: -46.245811 where: bonds (distance) C4'-P energy: -11.039 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: 2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -80.725961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.725961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.725961 (E_RNA) where: Base-Base interactions energy: -38.011 where: short stacking energy: -14.125 Base-Backbone interact. energy: -0.341 local terms energy: -42.373318 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -6.672 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -0.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -71.413554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.413554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.413554 (E_RNA) where: Base-Base interactions energy: -27.877 where: short stacking energy: -27.877 Base-Backbone interact. energy: -0.294 local terms energy: -43.242705 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -8.469 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -2.580 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: 10 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -225.540053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.540053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.540053 (E_RNA) where: Base-Base interactions energy: -147.841 where: short stacking energy: -71.249 Base-Backbone interact. energy: -0.003 local terms energy: -77.695884 where: bonds (distance) C4'-P energy: -17.457 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -13.221 flat angles P-C4'-P energy: -11.031 tors. eta vs tors. theta energy: -22.382 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: 3 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -216.336530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.336530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.336530 (E_RNA) where: Base-Base interactions energy: -142.853 where: short stacking energy: -62.443 Base-Backbone interact. energy: -0.137 local terms energy: -73.347122 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -16.537 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -18.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -207.450153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.450153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.450153 (E_RNA) where: Base-Base interactions energy: -133.937 where: short stacking energy: -63.672 Base-Backbone interact. energy: -0.003 local terms energy: -73.510304 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -16.451 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -19.911 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: 1 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -204.825406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.825406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.825406 (E_RNA) where: Base-Base interactions energy: -132.959 where: short stacking energy: -63.426 Base-Backbone interact. energy: -0.036 local terms energy: -71.830909 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -20.287 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: 148 Temperature: 1.100000 Total energy: -205.859280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.859280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.859280 (E_RNA) where: Base-Base interactions energy: -141.660 where: short stacking energy: -54.940 Base-Backbone interact. energy: -0.091 local terms energy: -64.108477 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -12.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -179.723571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.723571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.723571 (E_RNA) where: Base-Base interactions energy: -126.910 where: short stacking energy: -53.100 Base-Backbone interact. energy: 1.222 local terms energy: -54.035666 where: bonds (distance) C4'-P energy: -7.975 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -8.503 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: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -148.823020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.823020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.823020 (E_RNA) where: Base-Base interactions energy: -84.223 where: short stacking energy: -45.439 Base-Backbone interact. energy: -0.086 local terms energy: -64.513922 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -13.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -80.316339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.316339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.316339 (E_RNA) where: Base-Base interactions energy: -27.916 where: short stacking energy: -27.657 Base-Backbone interact. energy: -0.339 local terms energy: -52.061091 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -12.921 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -8.576 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -84.446833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.446833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.446833 (E_RNA) where: Base-Base interactions energy: -33.893 where: short stacking energy: -25.060 Base-Backbone interact. energy: -0.135 local terms energy: -50.418805 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -84.280548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.280548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.280548 (E_RNA) where: Base-Base interactions energy: -39.088 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.073 local terms energy: -45.119682 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -7.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -216.454447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.454447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.454447 (E_RNA) where: Base-Base interactions energy: -136.473 where: short stacking energy: -64.740 Base-Backbone interact. energy: -0.631 local terms energy: -79.351071 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -16.999 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -11.430 tors. eta vs tors. theta energy: -23.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -212.969792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.969792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.969792 (E_RNA) where: Base-Base interactions energy: -143.682 where: short stacking energy: -62.252 Base-Backbone interact. energy: 0.096 local terms energy: -69.383094 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -12.287 tors. eta vs tors. theta energy: -18.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -212.812640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.812640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.812640 (E_RNA) where: Base-Base interactions energy: -145.045 where: short stacking energy: -66.329 Base-Backbone interact. energy: -0.005 local terms energy: -67.761923 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -11.586 tors. eta vs tors. theta energy: -16.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -207.047549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.047549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.047549 (E_RNA) where: Base-Base interactions energy: -137.409 where: short stacking energy: -54.407 Base-Backbone interact. energy: 1.046 local terms energy: -70.685269 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -14.439 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -19.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -202.920493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.920493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.920493 (E_RNA) where: Base-Base interactions energy: -132.417 where: short stacking energy: -57.669 Base-Backbone interact. energy: -0.072 local terms energy: -70.432169 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -17.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -191.504315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.504315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.504315 (E_RNA) where: Base-Base interactions energy: -127.555 where: short stacking energy: -52.960 Base-Backbone interact. energy: -0.088 local terms energy: -63.861354 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -9.797 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -12.648 tors. eta vs tors. theta energy: -11.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -135.327392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.327392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.327392 (E_RNA) where: Base-Base interactions energy: -75.944 where: short stacking energy: -39.295 Base-Backbone interact. energy: -0.401 local terms energy: -58.982175 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -82.794883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.794883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.794883 (E_RNA) where: Base-Base interactions energy: -25.853 where: short stacking energy: -22.871 Base-Backbone interact. energy: -0.314 local terms energy: -56.628138 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -15.009 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -5.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -72.662084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.662084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.662084 (E_RNA) where: Base-Base interactions energy: -17.875 where: short stacking energy: -15.918 Base-Backbone interact. energy: -0.024 local terms energy: -54.763366 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -3.079 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: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -69.616104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.616104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.616104 (E_RNA) where: Base-Base interactions energy: -29.291 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.989 local terms energy: -39.336399 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -9.248 flat angles C4'-P-C4' energy: -8.836 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: 3.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -221.282065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.282065 (E_RNA) where: Base-Base interactions energy: -142.959 where: short stacking energy: -68.725 Base-Backbone interact. energy: -0.025 local terms energy: -78.297798 where: bonds (distance) C4'-P energy: -14.704 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -12.342 tors. eta vs tors. theta energy: -21.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -213.792534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.792534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.792534 (E_RNA) where: Base-Base interactions energy: -141.155 where: short stacking energy: -61.382 Base-Backbone interact. energy: -0.002 local terms energy: -72.635764 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -20.377 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: 6 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -215.421697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.421697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.421697 (E_RNA) where: Base-Base interactions energy: -146.149 where: short stacking energy: -52.426 Base-Backbone interact. energy: -0.083 local terms energy: -69.189943 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -15.623 flat angles C4'-P-C4' energy: -16.776 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -14.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -206.634249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.634249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.634249 (E_RNA) where: Base-Base interactions energy: -135.816 where: short stacking energy: -62.908 Base-Backbone interact. energy: -0.006 local terms energy: -70.812337 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -19.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -188.303538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.303538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.303538 (E_RNA) where: Base-Base interactions energy: -130.157 where: short stacking energy: -54.102 Base-Backbone interact. energy: 4.979 local terms energy: -63.125021 where: bonds (distance) C4'-P energy: -16.414 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -10.261 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -203.365425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.365425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.365425 (E_RNA) where: Base-Base interactions energy: -130.102 where: short stacking energy: -58.587 Base-Backbone interact. energy: -0.280 local terms energy: -72.983308 where: bonds (distance) C4'-P energy: -16.559 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -17.592 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -16.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -100.579073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.579073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.579073 (E_RNA) where: Base-Base interactions energy: -47.019 where: short stacking energy: -36.929 Base-Backbone interact. energy: -0.234 local terms energy: -53.326178 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -142.791777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.791777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.791777 (E_RNA) where: Base-Base interactions energy: -83.146 where: short stacking energy: -32.966 Base-Backbone interact. energy: -0.248 local terms energy: -59.397287 where: bonds (distance) C4'-P energy: -12.778 bonds (distance) P-C4' energy: -13.837 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -10.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -78.024838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.024838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.024838 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -21.347 Base-Backbone interact. energy: -0.561 local terms energy: -50.983991 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -10.455 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -109.959845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.959845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.959845 (E_RNA) where: Base-Base interactions energy: -57.181 where: short stacking energy: -30.193 Base-Backbone interact. energy: -0.337 local terms energy: -52.441586 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -15.901 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -220.162640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.162640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.162640 (E_RNA) where: Base-Base interactions energy: -148.479 where: short stacking energy: -69.205 Base-Backbone interact. energy: -0.004 local terms energy: -71.679065 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -19.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -223.195401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.195401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.195401 (E_RNA) where: Base-Base interactions energy: -143.726 where: short stacking energy: -65.911 Base-Backbone interact. energy: -0.000 local terms energy: -79.468517 where: bonds (distance) C4'-P energy: -14.721 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -23.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -217.915165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.915165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.915165 (E_RNA) where: Base-Base interactions energy: -145.353 where: short stacking energy: -69.603 Base-Backbone interact. energy: -0.241 local terms energy: -72.320359 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -21.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -202.203947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.203947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.203947 (E_RNA) where: Base-Base interactions energy: -126.552 where: short stacking energy: -57.649 Base-Backbone interact. energy: -0.063 local terms energy: -75.589167 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -13.080 tors. eta vs tors. theta energy: -18.379 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: 3 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -194.536285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.536285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.536285 (E_RNA) where: Base-Base interactions energy: -131.338 where: short stacking energy: -57.775 Base-Backbone interact. energy: -0.001 local terms energy: -63.197116 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -13.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -193.477484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.477484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.477484 (E_RNA) where: Base-Base interactions energy: -124.257 where: short stacking energy: -59.512 Base-Backbone interact. energy: -1.197 local terms energy: -68.022845 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -18.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -84.973026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.973026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.973026 (E_RNA) where: Base-Base interactions energy: -35.016 where: short stacking energy: -24.608 Base-Backbone interact. energy: 2.520 local terms energy: -52.476884 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -9.704 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -128.187991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.187991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.187991 (E_RNA) where: Base-Base interactions energy: -76.649 where: short stacking energy: -28.744 Base-Backbone interact. energy: -0.740 local terms energy: -50.798923 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -2.730 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -80.307137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.307137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.307137 (E_RNA) where: Base-Base interactions energy: -30.047 where: short stacking energy: -15.238 Base-Backbone interact. energy: -0.452 local terms energy: -49.808902 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: 2.071 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: 8 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -102.049931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.049931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.049931 (E_RNA) where: Base-Base interactions energy: -56.947 where: short stacking energy: -28.310 Base-Backbone interact. energy: 0.047 local terms energy: -45.150092 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -15.203 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: 1.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -216.645105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.645105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.645105 (E_RNA) where: Base-Base interactions energy: -138.848 where: short stacking energy: -65.511 Base-Backbone interact. energy: -2.982 local terms energy: -74.814387 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -21.157 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: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -213.094311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.094311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.094311 (E_RNA) where: Base-Base interactions energy: -140.300 where: short stacking energy: -65.956 Base-Backbone interact. energy: -0.023 local terms energy: -72.771003 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -18.137 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: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -215.094187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.094187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.094187 (E_RNA) where: Base-Base interactions energy: -138.462 where: short stacking energy: -64.788 Base-Backbone interact. energy: -0.307 local terms energy: -76.325124 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -9.686 tors. eta vs tors. theta energy: -21.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -197.550314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.550314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.550314 (E_RNA) where: Base-Base interactions energy: -128.468 where: short stacking energy: -52.264 Base-Backbone interact. energy: -0.570 local terms energy: -68.513157 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -13.445 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -15.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -206.585246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.585246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.585246 (E_RNA) where: Base-Base interactions energy: -137.589 where: short stacking energy: -61.329 Base-Backbone interact. energy: -0.564 local terms energy: -68.432026 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -10.922 flat angles C4'-P-C4' energy: -15.805 flat angles P-C4'-P energy: -11.272 tors. eta vs tors. theta energy: -17.542 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: 3 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -185.253087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.253087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.253087 (E_RNA) where: Base-Base interactions energy: -119.184 where: short stacking energy: -51.235 Base-Backbone interact. energy: 0.359 local terms energy: -66.427716 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -16.018 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: 4 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -129.507036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.507036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.507036 (E_RNA) where: Base-Base interactions energy: -82.655 where: short stacking energy: -32.176 Base-Backbone interact. energy: -0.111 local terms energy: -46.741467 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -12.842 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -4.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -75.549846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.549846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.549846 (E_RNA) where: Base-Base interactions energy: -36.177 where: short stacking energy: -23.503 Base-Backbone interact. energy: -0.376 local terms energy: -38.997398 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: 2.162 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: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -77.609401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.609401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.609401 (E_RNA) where: Base-Base interactions energy: -26.272 where: short stacking energy: -26.272 Base-Backbone interact. energy: -0.002 local terms energy: -51.334733 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -17.502 flat angles C4'-P-C4' energy: -10.777 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.474 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: 8 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -76.181315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.181315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.181315 (E_RNA) where: Base-Base interactions energy: -36.074 where: short stacking energy: -25.612 Base-Backbone interact. energy: -0.349 local terms energy: -39.758136 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -0.143 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: 1, replica: 10 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -222.626630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.626630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.626630 (E_RNA) where: Base-Base interactions energy: -144.616 where: short stacking energy: -68.275 Base-Backbone interact. energy: -2.277 local terms energy: -75.733647 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -21.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -216.146582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.146582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.146582 (E_RNA) where: Base-Base interactions energy: -136.005 where: short stacking energy: -65.493 Base-Backbone interact. energy: -0.985 local terms energy: -79.157223 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -13.261 tors. eta vs tors. theta energy: -22.114 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: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -217.647254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.647254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.647254 (E_RNA) where: Base-Base interactions energy: -147.689 where: short stacking energy: -65.859 Base-Backbone interact. energy: -0.026 local terms energy: -69.931786 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -14.423 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -202.753497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.753497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.753497 (E_RNA) where: Base-Base interactions energy: -134.199 where: short stacking energy: -63.336 Base-Backbone interact. energy: -0.821 local terms energy: -67.733705 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -16.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -198.775346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.775346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.775346 (E_RNA) where: Base-Base interactions energy: -130.322 where: short stacking energy: -49.157 Base-Backbone interact. energy: -0.138 local terms energy: -68.315647 where: bonds (distance) C4'-P energy: -15.778 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -14.893 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: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -185.671546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.671546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.671546 (E_RNA) where: Base-Base interactions energy: -115.541 where: short stacking energy: -47.548 Base-Backbone interact. energy: -0.361 local terms energy: -69.769407 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -16.512 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -14.261 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: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -132.826917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.826917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.826917 (E_RNA) where: Base-Base interactions energy: -73.398 where: short stacking energy: -33.316 Base-Backbone interact. energy: -0.100 local terms energy: -59.329288 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -10.995 tors. eta vs tors. theta energy: -8.717 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: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -86.312448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.312448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.312448 (E_RNA) where: Base-Base interactions energy: -29.873 where: short stacking energy: -29.669 Base-Backbone interact. energy: -0.054 local terms energy: -56.385575 where: bonds (distance) C4'-P energy: -14.104 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -9.569 flat angles P-C4'-P energy: -8.787 tors. eta vs tors. theta energy: -8.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -71.177254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.177254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.177254 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.200 local terms energy: -53.588215 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -17.721 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -2.903 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: 8 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -71.196390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.196390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.196390 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.182 local terms energy: -51.354753 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -5.225 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: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -222.786275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.786275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.786275 (E_RNA) where: Base-Base interactions energy: -148.303 where: short stacking energy: -69.971 Base-Backbone interact. energy: -0.056 local terms energy: -74.427020 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -15.786 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -19.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -213.158486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.158486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.158486 (E_RNA) where: Base-Base interactions energy: -144.088 where: short stacking energy: -59.616 Base-Backbone interact. energy: 0.941 local terms energy: -70.012107 where: bonds (distance) C4'-P energy: -10.171 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -18.248 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: 3, replica: 1 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -210.930545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.930545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.930545 (E_RNA) where: Base-Base interactions energy: -141.772 where: short stacking energy: -55.074 Base-Backbone interact. energy: -0.094 local terms energy: -69.063888 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -15.275 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -19.392 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: 6 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -203.207784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.207784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.207784 (E_RNA) where: Base-Base interactions energy: -132.784 where: short stacking energy: -63.555 Base-Backbone interact. energy: -0.414 local terms energy: -70.009691 where: bonds (distance) C4'-P energy: -16.148 bonds (distance) P-C4' energy: -9.723 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -19.339 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: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -191.131041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.131041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.131041 (E_RNA) where: Base-Base interactions energy: -126.659 where: short stacking energy: -51.814 Base-Backbone interact. energy: -0.619 local terms energy: -63.852986 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -201.915992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.915992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.915992 (E_RNA) where: Base-Base interactions energy: -128.635 where: short stacking energy: -53.445 Base-Backbone interact. energy: -0.012 local terms energy: -73.269130 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -16.114 flat angles P-C4'-P energy: -13.556 tors. eta vs tors. theta energy: -17.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -85.002242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.002242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.002242 (E_RNA) where: Base-Base interactions energy: -34.694 where: short stacking energy: -34.694 Base-Backbone interact. energy: -0.165 local terms energy: -50.143164 where: bonds (distance) C4'-P energy: -8.275 bonds (distance) P-C4' energy: -16.955 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -6.538 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: 4 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -131.665322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.665322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.665322 (E_RNA) where: Base-Base interactions energy: -74.969 where: short stacking energy: -39.056 Base-Backbone interact. energy: -0.105 local terms energy: -56.591973 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -7.104 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: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -84.140277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.140277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.140277 (E_RNA) where: Base-Base interactions energy: -43.016 where: short stacking energy: -23.706 Base-Backbone interact. energy: -0.222 local terms energy: -40.903011 where: bonds (distance) C4'-P energy: -6.420 bonds (distance) P-C4' energy: -10.981 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -7.403 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: 10, replica: 9 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -69.078834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.078834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.078834 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -18.457 Base-Backbone interact. energy: -0.094 local terms energy: -38.589523 where: bonds (distance) C4'-P energy: -9.694 bonds (distance) P-C4' energy: -9.838 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -219.803453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.803453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.803453 (E_RNA) where: Base-Base interactions energy: -143.304 where: short stacking energy: -71.532 Base-Backbone interact. energy: -0.364 local terms energy: -76.135387 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -17.297 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -21.835 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: 1 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -211.986080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.986080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.986080 (E_RNA) where: Base-Base interactions energy: -134.933 where: short stacking energy: -56.985 Base-Backbone interact. energy: -0.068 local terms energy: -76.985082 where: bonds (distance) C4'-P energy: -15.420 bonds (distance) P-C4' energy: -16.839 flat angles C4'-P-C4' energy: -16.078 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -20.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -213.396973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.396973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.396973 (E_RNA) where: Base-Base interactions energy: -141.876 where: short stacking energy: -67.391 Base-Backbone interact. energy: -0.003 local terms energy: -71.518351 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -15.257 flat angles C4'-P-C4' energy: -16.571 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -20.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -211.371399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.371399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.371399 (E_RNA) where: Base-Base interactions energy: -133.582 where: short stacking energy: -62.923 Base-Backbone interact. energy: -0.015 local terms energy: -77.774119 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -13.447 tors. eta vs tors. theta energy: -21.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -204.319321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.319321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.319321 (E_RNA) where: Base-Base interactions energy: -142.680 where: short stacking energy: -60.295 Base-Backbone interact. energy: 0.257 local terms energy: -61.896006 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -9.825 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -10.338 tors. eta vs tors. theta energy: -16.888 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: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -198.272979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.272979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.272979 (E_RNA) where: Base-Base interactions energy: -139.421 where: short stacking energy: -54.626 Base-Backbone interact. energy: -0.133 local terms energy: -58.719335 where: bonds (distance) C4'-P energy: -9.015 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -15.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -81.853586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.853586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.853586 (E_RNA) where: Base-Base interactions energy: -35.643 where: short stacking energy: -33.395 Base-Backbone interact. energy: -0.145 local terms energy: -46.065883 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -12.561 flat angles C4'-P-C4' energy: -10.186 flat angles P-C4'-P energy: -10.291 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -132.102053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.102053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.102053 (E_RNA) where: Base-Base interactions energy: -86.650 where: short stacking energy: -36.221 Base-Backbone interact. energy: -0.351 local terms energy: -45.101492 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -2.575 tors. eta vs tors. theta energy: -7.582 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: 8 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -78.312115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.312115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.312115 (E_RNA) where: Base-Base interactions energy: -43.169 where: short stacking energy: -27.533 Base-Backbone interact. energy: -0.165 local terms energy: -34.978676 where: bonds (distance) C4'-P energy: -14.319 bonds (distance) P-C4' energy: -7.943 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: 2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -69.067105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.067105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.067105 (E_RNA) where: Base-Base interactions energy: -29.047 where: short stacking energy: -29.047 Base-Backbone interact. energy: -0.092 local terms energy: -39.927936 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -216.288303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.288303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.288303 (E_RNA) where: Base-Base interactions energy: -145.945 where: short stacking energy: -50.656 Base-Backbone interact. energy: -0.198 local terms energy: -70.145723 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -15.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -216.620290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.620290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.620290 (E_RNA) where: Base-Base interactions energy: -136.851 where: short stacking energy: -65.016 Base-Backbone interact. energy: -2.319 local terms energy: -77.450782 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -16.265 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -18.886 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: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -212.920460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.920460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.920460 (E_RNA) where: Base-Base interactions energy: -152.645 where: short stacking energy: -53.914 Base-Backbone interact. energy: -0.305 local terms energy: -59.970929 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -13.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -214.746246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.746246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.746246 (E_RNA) where: Base-Base interactions energy: -145.939 where: short stacking energy: -61.599 Base-Backbone interact. energy: -0.003 local terms energy: -68.803951 where: bonds (distance) C4'-P energy: -11.388 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -16.006 flat angles P-C4'-P energy: -12.341 tors. eta vs tors. theta energy: -15.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -209.222281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.222281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.222281 (E_RNA) where: Base-Base interactions energy: -144.572 where: short stacking energy: -59.619 Base-Backbone interact. energy: -0.003 local terms energy: -64.646636 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -12.106 tors. eta vs tors. theta energy: -16.664 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: 6 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -193.870704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.870704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.870704 (E_RNA) where: Base-Base interactions energy: -133.268 where: short stacking energy: -47.947 Base-Backbone interact. energy: -0.232 local terms energy: -60.370955 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -10.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -159.467129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.467129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.467129 (E_RNA) where: Base-Base interactions energy: -96.164 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.038 local terms energy: -63.265079 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -12.096 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: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -89.385076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.385076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.385076 (E_RNA) where: Base-Base interactions energy: -33.773 where: short stacking energy: -29.459 Base-Backbone interact. energy: -0.105 local terms energy: -55.507375 where: bonds (distance) C4'-P energy: -9.661 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -6.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -78.086152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.086152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.086152 (E_RNA) where: Base-Base interactions energy: -26.776 where: short stacking energy: -25.707 Base-Backbone interact. energy: -0.430 local terms energy: -50.879887 where: bonds (distance) C4'-P energy: -15.577 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -69.488529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.488529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.488529 (E_RNA) where: Base-Base interactions energy: -24.646 where: short stacking energy: -18.416 Base-Backbone interact. energy: -0.670 local terms energy: -44.172505 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -222.050167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.050167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.050167 (E_RNA) where: Base-Base interactions energy: -143.555 where: short stacking energy: -67.763 Base-Backbone interact. energy: -2.995 local terms energy: -75.500206 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -21.218 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: 10 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -211.026866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.026866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.026866 (E_RNA) where: Base-Base interactions energy: -133.794 where: short stacking energy: -60.099 Base-Backbone interact. energy: -1.059 local terms energy: -76.173715 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -17.069 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -20.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -217.100818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.100818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.100818 (E_RNA) where: Base-Base interactions energy: -155.292 where: short stacking energy: -58.281 Base-Backbone interact. energy: -0.731 local terms energy: -61.077775 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -10.023 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -13.171 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: 2 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -211.378721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.378721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.378721 (E_RNA) where: Base-Base interactions energy: -142.035 where: short stacking energy: -68.633 Base-Backbone interact. energy: -0.004 local terms energy: -69.340056 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -7.856 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -11.991 tors. eta vs tors. theta energy: -20.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -205.713663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.713663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.713663 (E_RNA) where: Base-Base interactions energy: -142.943 where: short stacking energy: -63.770 Base-Backbone interact. energy: -0.045 local terms energy: -62.725386 where: bonds (distance) C4'-P energy: -10.901 bonds (distance) P-C4' energy: -12.879 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -12.186 tors. eta vs tors. theta energy: -16.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -194.061284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.061284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.061284 (E_RNA) where: Base-Base interactions energy: -125.847 where: short stacking energy: -56.841 Base-Backbone interact. energy: -0.054 local terms energy: -68.160309 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -16.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -133.276078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.276078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.276078 (E_RNA) where: Base-Base interactions energy: -86.358 where: short stacking energy: -37.524 Base-Backbone interact. energy: -0.940 local terms energy: -45.977522 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -11.438 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -9.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -82.192933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.192933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.192933 (E_RNA) where: Base-Base interactions energy: -27.690 where: short stacking energy: -27.690 Base-Backbone interact. energy: 0.888 local terms energy: -55.390776 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.168 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -72.010852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.010852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.010852 (E_RNA) where: Base-Base interactions energy: -29.715 where: short stacking energy: -28.345 Base-Backbone interact. energy: -0.039 local terms energy: -42.256766 where: bonds (distance) C4'-P energy: -11.727 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -10.248 flat angles P-C4'-P energy: -6.229 tors. eta vs tors. theta energy: -2.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -76.744000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.744000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.744000 (E_RNA) where: Base-Base interactions energy: -30.122 where: short stacking energy: -23.314 Base-Backbone interact. energy: -0.144 local terms energy: -46.477726 where: bonds (distance) C4'-P energy: -10.429 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -11.127 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -225.649710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.649710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.649710 (E_RNA) where: Base-Base interactions energy: -141.771 where: short stacking energy: -69.973 Base-Backbone interact. energy: -1.677 local terms energy: -82.201430 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -23.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -210.435017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.435017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.435017 (E_RNA) where: Base-Base interactions energy: -140.030 where: short stacking energy: -55.425 Base-Backbone interact. energy: -0.048 local terms energy: -70.356717 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -16.611 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: 2 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -208.242306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.242306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.242306 (E_RNA) where: Base-Base interactions energy: -134.049 where: short stacking energy: -60.520 Base-Backbone interact. energy: -2.860 local terms energy: -71.333226 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -13.098 tors. eta vs tors. theta energy: -20.896 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: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -211.062408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.062408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.062408 (E_RNA) where: Base-Base interactions energy: -148.928 where: short stacking energy: -55.544 Base-Backbone interact. energy: -0.131 local terms energy: -62.003410 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -16.254 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -195.637046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.637046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.637046 (E_RNA) where: Base-Base interactions energy: -131.159 where: short stacking energy: -59.604 Base-Backbone interact. energy: -0.375 local terms energy: -64.102326 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -13.105 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -11.732 tors. eta vs tors. theta energy: -13.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -204.809343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.809343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.809343 (E_RNA) where: Base-Base interactions energy: -134.937 where: short stacking energy: -63.313 Base-Backbone interact. energy: -0.001 local terms energy: -69.872073 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -12.095 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -18.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -97.219410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.219410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.219410 (E_RNA) where: Base-Base interactions energy: -51.835 where: short stacking energy: -31.823 Base-Backbone interact. energy: -0.374 local terms energy: -45.009945 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -9.083 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -80.009310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.009310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.009310 (E_RNA) where: Base-Base interactions energy: -38.946 where: short stacking energy: -30.689 Base-Backbone interact. energy: -0.510 local terms energy: -40.553776 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -10.347 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.853 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: 8 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -78.380113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.380113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.380113 (E_RNA) where: Base-Base interactions energy: -39.774 where: short stacking energy: -20.089 Base-Backbone interact. energy: -0.635 local terms energy: -37.971664 where: bonds (distance) C4'-P energy: -12.444 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: 0.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -83.988848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.988848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.988848 (E_RNA) where: Base-Base interactions energy: -37.665 where: short stacking energy: -35.664 Base-Backbone interact. energy: -0.167 local terms energy: -46.157056 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -8.210 flat angles C4'-P-C4' energy: -9.896 flat angles P-C4'-P energy: -8.486 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -214.780871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.780871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.780871 (E_RNA) where: Base-Base interactions energy: -141.152 where: short stacking energy: -66.627 Base-Backbone interact. energy: -0.577 local terms energy: -73.051899 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -19.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -219.257242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.257242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.257242 (E_RNA) where: Base-Base interactions energy: -137.006 where: short stacking energy: -62.650 Base-Backbone interact. energy: -0.436 local terms energy: -81.814358 where: bonds (distance) C4'-P energy: -16.116 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -22.943 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: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -227.683683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.683683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.683683 (E_RNA) where: Base-Base interactions energy: -144.664 where: short stacking energy: -70.069 Base-Backbone interact. energy: -2.794 local terms energy: -80.225462 where: bonds (distance) C4'-P energy: -17.440 bonds (distance) P-C4' energy: -11.794 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -22.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -202.009610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.009610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.009610 (E_RNA) where: Base-Base interactions energy: -127.531 where: short stacking energy: -58.883 Base-Backbone interact. energy: -1.196 local terms energy: -73.282043 where: bonds (distance) C4'-P energy: -15.533 bonds (distance) P-C4' energy: -15.220 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -19.290 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: 159 Temperature: 1.100000 Total energy: -206.615983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.615983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.615983 (E_RNA) where: Base-Base interactions energy: -136.567 where: short stacking energy: -59.208 Base-Backbone interact. energy: -0.740 local terms energy: -69.309030 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -16.315 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -19.201 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: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -208.266086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.266086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.266086 (E_RNA) where: Base-Base interactions energy: -146.916 where: short stacking energy: -47.280 Base-Backbone interact. energy: 5.117 local terms energy: -66.467417 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -10.343 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: 7, replica: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -95.133984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.133984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.133984 (E_RNA) where: Base-Base interactions energy: -44.095 where: short stacking energy: -32.743 Base-Backbone interact. energy: 0.330 local terms energy: -51.368571 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -13.706 flat angles C4'-P-C4' energy: -10.257 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -8.912 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: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -81.468173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.468173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.468173 (E_RNA) where: Base-Base interactions energy: -29.480 where: short stacking energy: -22.362 Base-Backbone interact. energy: -0.585 local terms energy: -51.403190 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -83.072311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.072311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.072311 (E_RNA) where: Base-Base interactions energy: -32.833 where: short stacking energy: -32.833 Base-Backbone interact. energy: -0.050 local terms energy: -50.188537 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -11.286 flat angles C4'-P-C4' energy: -16.261 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -1.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -84.917924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.917924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.917924 (E_RNA) where: Base-Base interactions energy: -42.091 where: short stacking energy: -14.350 Base-Backbone interact. energy: -0.052 local terms energy: -42.775005 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -1.467 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: 1, replica: 2 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -221.004254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.004254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.004254 (E_RNA) where: Base-Base interactions energy: -146.581 where: short stacking energy: -65.038 Base-Backbone interact. energy: 0.856 local terms energy: -75.279124 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -16.625 flat angles P-C4'-P energy: -13.047 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -216.628013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.628013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.628013 (E_RNA) where: Base-Base interactions energy: -142.938 where: short stacking energy: -61.798 Base-Backbone interact. energy: 1.686 local terms energy: -75.376073 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -13.196 flat angles C4'-P-C4' energy: -15.866 flat angles P-C4'-P energy: -12.978 tors. eta vs tors. theta energy: -17.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -210.018167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.018167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.018167 (E_RNA) where: Base-Base interactions energy: -143.786 where: short stacking energy: -63.286 Base-Backbone interact. energy: -0.098 local terms energy: -66.133710 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -15.018 flat angles C4'-P-C4' energy: -12.581 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -17.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -206.299069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.299069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.299069 (E_RNA) where: Base-Base interactions energy: -143.388 where: short stacking energy: -56.478 Base-Backbone interact. energy: -0.102 local terms energy: -62.808865 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -9.005 tors. eta vs tors. theta energy: -14.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -211.023339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.023339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.023339 (E_RNA) where: Base-Base interactions energy: -137.806 where: short stacking energy: -60.855 Base-Backbone interact. energy: -0.000 local terms energy: -73.216772 where: bonds (distance) C4'-P energy: -14.443 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -16.923 flat angles P-C4'-P energy: -9.406 tors. eta vs tors. theta energy: -18.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -192.841223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.841223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.841223 (E_RNA) where: Base-Base interactions energy: -128.953 where: short stacking energy: -57.067 Base-Backbone interact. energy: -0.043 local terms energy: -63.844430 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -13.062 flat angles C4'-P-C4' energy: -10.552 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -17.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -85.243592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.243592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.243592 (E_RNA) where: Base-Base interactions energy: -33.776 where: short stacking energy: -25.953 Base-Backbone interact. energy: -0.203 local terms energy: -51.265159 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.096 flat angles P-C4'-P energy: -9.381 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -80.317677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.317677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.317677 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -25.069 Base-Backbone interact. energy: -0.003 local terms energy: -55.245899 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -2.750 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: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -88.814081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.814081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.814081 (E_RNA) where: Base-Base interactions energy: -46.536 where: short stacking energy: -32.576 Base-Backbone interact. energy: -0.106 local terms energy: -42.172469 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -6.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -73.121000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.121000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.121000 (E_RNA) where: Base-Base interactions energy: -25.755 where: short stacking energy: -25.755 Base-Backbone interact. energy: -0.370 local terms energy: -46.996189 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -10.254 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -7.824 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: 2 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -214.956213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.956213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.956213 (E_RNA) where: Base-Base interactions energy: -140.155 where: short stacking energy: -56.703 Base-Backbone interact. energy: -0.393 local terms energy: -74.407992 where: bonds (distance) C4'-P energy: -15.570 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -15.424 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -15.537 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: 3 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -212.528431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.528431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.528431 (E_RNA) where: Base-Base interactions energy: -138.474 where: short stacking energy: -64.718 Base-Backbone interact. energy: -0.043 local terms energy: -74.011713 where: bonds (distance) C4'-P energy: -15.147 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -19.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -205.103314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.103314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.103314 (E_RNA) where: Base-Base interactions energy: -134.066 where: short stacking energy: -63.594 Base-Backbone interact. energy: -1.734 local terms energy: -69.303852 where: bonds (distance) C4'-P energy: -11.140 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -9.445 tors. eta vs tors. theta energy: -19.939 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: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -208.121125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.121125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.121125 (E_RNA) where: Base-Base interactions energy: -139.383 where: short stacking energy: -60.531 Base-Backbone interact. energy: -0.027 local terms energy: -68.710579 where: bonds (distance) C4'-P energy: -12.682 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -17.227 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -16.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -196.970547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.970547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.970547 (E_RNA) where: Base-Base interactions energy: -134.544 where: short stacking energy: -45.230 Base-Backbone interact. energy: -0.119 local terms energy: -62.307598 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -13.800 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: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -202.889163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.889163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.889163 (E_RNA) where: Base-Base interactions energy: -133.115 where: short stacking energy: -63.515 Base-Backbone interact. energy: 0.797 local terms energy: -70.570883 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -15.377 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -18.826 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: 7, replica: 8 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -86.974529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.974529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.974529 (E_RNA) where: Base-Base interactions energy: -31.113 where: short stacking energy: -25.436 Base-Backbone interact. energy: -0.115 local terms energy: -55.746594 where: bonds (distance) C4'-P energy: -14.008 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -5.845 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: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -75.352262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.352262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.352262 (E_RNA) where: Base-Base interactions energy: -29.490 where: short stacking energy: -29.490 Base-Backbone interact. energy: -0.095 local terms energy: -45.766997 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -72.361162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.361162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.361162 (E_RNA) where: Base-Base interactions energy: -22.421 where: short stacking energy: -20.149 Base-Backbone interact. energy: -0.179 local terms energy: -49.761227 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -6.663 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: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -76.781520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.781520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.781520 (E_RNA) where: Base-Base interactions energy: -36.832 where: short stacking energy: -22.938 Base-Backbone interact. energy: 0.536 local terms energy: -40.484997 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -9.886 flat angles P-C4'-P energy: -2.497 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -214.409990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.409990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.409990 (E_RNA) where: Base-Base interactions energy: -140.000 where: short stacking energy: -62.962 Base-Backbone interact. energy: -2.042 local terms energy: -72.367338 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -15.913 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -216.955104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.955104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.955104 (E_RNA) where: Base-Base interactions energy: -145.804 where: short stacking energy: -56.651 Base-Backbone interact. energy: 0.209 local terms energy: -71.359922 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -12.439 flat angles P-C4'-P energy: -13.679 tors. eta vs tors. theta energy: -18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -211.853111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.853111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.853111 (E_RNA) where: Base-Base interactions energy: -135.518 where: short stacking energy: -58.918 Base-Backbone interact. energy: -0.004 local terms energy: -76.331017 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -21.134 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: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -213.285509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.285509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.285509 (E_RNA) where: Base-Base interactions energy: -141.043 where: short stacking energy: -57.957 Base-Backbone interact. energy: -0.056 local terms energy: -72.186940 where: bonds (distance) C4'-P energy: -17.362 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -11.967 tors. eta vs tors. theta energy: -16.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -202.437250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.437250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.437250 (E_RNA) where: Base-Base interactions energy: -131.163 where: short stacking energy: -55.098 Base-Backbone interact. energy: 0.083 local terms energy: -71.357053 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -16.658 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -196.829313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.829313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.829313 (E_RNA) where: Base-Base interactions energy: -138.799 where: short stacking energy: -49.148 Base-Backbone interact. energy: -1.820 local terms energy: -56.210592 where: bonds (distance) C4'-P energy: -11.551 bonds (distance) P-C4' energy: -10.289 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -13.253 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: 7, replica: 7 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -85.515108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.515108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.515108 (E_RNA) where: Base-Base interactions energy: -35.923 where: short stacking energy: -24.342 Base-Backbone interact. energy: -0.003 local terms energy: -49.589031 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -10.014 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -2.369 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: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -78.079433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.079433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.079433 (E_RNA) where: Base-Base interactions energy: -26.312 where: short stacking energy: -25.725 Base-Backbone interact. energy: -0.335 local terms energy: -51.432282 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -4.153 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: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -80.452707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.452707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.452707 (E_RNA) where: Base-Base interactions energy: -26.966 where: short stacking energy: -25.629 Base-Backbone interact. energy: -0.179 local terms energy: -53.307529 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -10.140 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -4.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -65.617763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.617763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.617763 (E_RNA) where: Base-Base interactions energy: -31.613 where: short stacking energy: -23.839 Base-Backbone interact. energy: -0.900 local terms energy: -33.104719 where: bonds (distance) C4'-P energy: -8.204 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -1.732 tors. eta vs tors. theta energy: 2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -217.166091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.166091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.166091 (E_RNA) where: Base-Base interactions energy: -138.586 where: short stacking energy: -70.653 Base-Backbone interact. energy: -0.582 local terms energy: -77.998705 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -22.607 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: 2 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -223.024413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.024413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.024413 (E_RNA) where: Base-Base interactions energy: -156.795 where: short stacking energy: -66.622 Base-Backbone interact. energy: 1.310 local terms energy: -67.539335 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -11.509 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -212.544811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.544811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.544811 (E_RNA) where: Base-Base interactions energy: -138.456 where: short stacking energy: -54.391 Base-Backbone interact. energy: -0.511 local terms energy: -73.577798 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -14.000 tors. eta vs tors. theta energy: -16.250 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: 5 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -199.651797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.651797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.651797 (E_RNA) where: Base-Base interactions energy: -138.554 where: short stacking energy: -54.333 Base-Backbone interact. energy: -0.183 local terms energy: -60.914614 where: bonds (distance) C4'-P energy: -10.055 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -8.260 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: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -205.968788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.968788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.968788 (E_RNA) where: Base-Base interactions energy: -137.214 where: short stacking energy: -63.695 Base-Backbone interact. energy: -0.001 local terms energy: -68.754034 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -210.521864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.521864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.521864 (E_RNA) where: Base-Base interactions energy: -134.868 where: short stacking energy: -54.873 Base-Backbone interact. energy: -0.829 local terms energy: -74.824854 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -18.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -78.463347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.463347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.463347 (E_RNA) where: Base-Base interactions energy: -32.442 where: short stacking energy: -20.546 Base-Backbone interact. energy: -0.281 local terms energy: -45.740888 where: bonds (distance) C4'-P energy: -14.827 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: 1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -83.367976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.367976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.367976 (E_RNA) where: Base-Base interactions energy: -38.000 where: short stacking energy: -27.379 Base-Backbone interact. energy: -0.153 local terms energy: -45.214410 where: bonds (distance) C4'-P energy: -9.384 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -5.607 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: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -80.557497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.557497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.557497 (E_RNA) where: Base-Base interactions energy: -34.924 where: short stacking energy: -34.924 Base-Backbone interact. energy: -0.132 local terms energy: -45.501498 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -9.251 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -6.295 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: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -75.008691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.008691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.008691 (E_RNA) where: Base-Base interactions energy: -26.582 where: short stacking energy: -24.448 Base-Backbone interact. energy: 0.008 local terms energy: -48.434565 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -6.805 tors. eta vs tors. theta energy: -5.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -215.274969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.274969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.274969 (E_RNA) where: Base-Base interactions energy: -141.667 where: short stacking energy: -64.881 Base-Backbone interact. energy: -1.273 local terms energy: -72.335382 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -14.040 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -21.477 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: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -210.758091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.758091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.758091 (E_RNA) where: Base-Base interactions energy: -135.378 where: short stacking energy: -55.197 Base-Backbone interact. energy: -0.130 local terms energy: -75.250165 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -16.128 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -19.240 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: 5 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -209.832994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.832994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.832994 (E_RNA) where: Base-Base interactions energy: -142.282 where: short stacking energy: -52.070 Base-Backbone interact. energy: -0.170 local terms energy: -67.380963 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -11.237 tors. eta vs tors. theta energy: -14.948 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: 1 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -203.331160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.331160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.331160 (E_RNA) where: Base-Base interactions energy: -139.402 where: short stacking energy: -65.445 Base-Backbone interact. energy: -1.674 local terms energy: -62.255219 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -4.542 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -18.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -190.193827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.193827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.193827 (E_RNA) where: Base-Base interactions energy: -129.204 where: short stacking energy: -57.030 Base-Backbone interact. energy: -0.045 local terms energy: -60.944505 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -208.252184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.252184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.252184 (E_RNA) where: Base-Base interactions energy: -145.003 where: short stacking energy: -64.889 Base-Backbone interact. energy: -0.012 local terms energy: -63.237296 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -12.071 tors. eta vs tors. theta energy: -15.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -88.522749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.522749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.522749 (E_RNA) where: Base-Base interactions energy: -37.145 where: short stacking energy: -29.144 Base-Backbone interact. energy: -0.170 local terms energy: -51.207477 where: bonds (distance) C4'-P energy: -6.438 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -117.982665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.982665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.982665 (E_RNA) where: Base-Base interactions energy: -68.396 where: short stacking energy: -35.019 Base-Backbone interact. energy: -0.117 local terms energy: -49.469999 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -17.115 flat angles C4'-P-C4' energy: -12.063 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -75.057996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.057996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.057996 (E_RNA) where: Base-Base interactions energy: -20.998 where: short stacking energy: -20.998 Base-Backbone interact. energy: -0.232 local terms energy: -53.828191 where: bonds (distance) C4'-P energy: -11.024 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -6.798 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: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -77.298326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.298326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.298326 (E_RNA) where: Base-Base interactions energy: -38.197 where: short stacking energy: -22.448 Base-Backbone interact. energy: -0.120 local terms energy: -38.981495 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -6.800 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -2.382 tors. eta vs tors. theta energy: -3.838 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: 3 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -215.177042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.177042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.177042 (E_RNA) where: Base-Base interactions energy: -140.462 where: short stacking energy: -66.160 Base-Backbone interact. energy: -0.377 local terms energy: -74.338083 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -21.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -215.794495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.794495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.794495 (E_RNA) where: Base-Base interactions energy: -150.303 where: short stacking energy: -53.408 Base-Backbone interact. energy: 2.166 local terms energy: -67.656990 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -12.341 tors. eta vs tors. theta energy: -11.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -208.262129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.262129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.262129 (E_RNA) where: Base-Base interactions energy: -137.005 where: short stacking energy: -61.125 Base-Backbone interact. energy: 0.021 local terms energy: -71.278267 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -16.556 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -18.662 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: 1 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -203.800294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.800294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.800294 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -53.801 Base-Backbone interact. energy: -0.015 local terms energy: -66.446376 where: bonds (distance) C4'-P energy: -10.156 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -16.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -189.299499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.299499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.299499 (E_RNA) where: Base-Base interactions energy: -125.452 where: short stacking energy: -55.881 Base-Backbone interact. energy: -0.000 local terms energy: -63.847506 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -15.027 flat angles C4'-P-C4' energy: -11.155 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -14.642 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: 6 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -196.766492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.766492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.766492 (E_RNA) where: Base-Base interactions energy: -126.118 where: short stacking energy: -50.892 Base-Backbone interact. energy: -0.676 local terms energy: -69.972626 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -9.194 tors. eta vs tors. theta energy: -16.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -83.194466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.194466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.194466 (E_RNA) where: Base-Base interactions energy: -33.632 where: short stacking energy: -19.054 Base-Backbone interact. energy: -0.004 local terms energy: -49.558573 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -9.637 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -84.987298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.987298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.987298 (E_RNA) where: Base-Base interactions energy: -33.720 where: short stacking energy: -33.720 Base-Backbone interact. energy: -0.196 local terms energy: -51.071682 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -87.743711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.743711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.743711 (E_RNA) where: Base-Base interactions energy: -48.927 where: short stacking energy: -21.360 Base-Backbone interact. energy: -0.362 local terms energy: -38.454632 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -9.542 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: 1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -68.662897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.662897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.662897 (E_RNA) where: Base-Base interactions energy: -22.732 where: short stacking energy: -14.958 Base-Backbone interact. energy: 0.047 local terms energy: -45.978060 where: bonds (distance) C4'-P energy: -13.396 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: 1.750 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: 1, replica: 5 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -216.212939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.212939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.212939 (E_RNA) where: Base-Base interactions energy: -149.975 where: short stacking energy: -60.077 Base-Backbone interact. energy: -0.101 local terms energy: -66.137311 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -11.824 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -220.698016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.698016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.698016 (E_RNA) where: Base-Base interactions energy: -143.435 where: short stacking energy: -69.687 Base-Backbone interact. energy: -1.019 local terms energy: -76.244396 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -10.349 tors. eta vs tors. theta energy: -20.456 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: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -216.291843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.291843 (E_RNA) where: Base-Base interactions energy: -142.251 where: short stacking energy: -65.220 Base-Backbone interact. energy: -0.019 local terms energy: -74.021450 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.924 flat angles P-C4'-P energy: -10.927 tors. eta vs tors. theta energy: -19.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -210.254652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.254652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.254652 (E_RNA) where: Base-Base interactions energy: -137.768 where: short stacking energy: -61.474 Base-Backbone interact. energy: 0.139 local terms energy: -72.626626 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -190.131486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.131486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.131486 (E_RNA) where: Base-Base interactions energy: -131.226 where: short stacking energy: -49.228 Base-Backbone interact. energy: -1.165 local terms energy: -57.740903 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -9.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -201.137189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.137189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.137189 (E_RNA) where: Base-Base interactions energy: -129.601 where: short stacking energy: -63.259 Base-Backbone interact. energy: -0.015 local terms energy: -71.520561 where: bonds (distance) C4'-P energy: -15.031 bonds (distance) P-C4' energy: -10.144 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -19.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -93.694811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.694811 (E_RNA) where: Base-Base interactions energy: -34.500 where: short stacking energy: -31.206 Base-Backbone interact. energy: -0.352 local terms energy: -58.842982 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -96.160722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.160722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.160722 (E_RNA) where: Base-Base interactions energy: -48.374 where: short stacking energy: -25.819 Base-Backbone interact. energy: -0.136 local terms energy: -47.649759 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: 1.046 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: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -75.025646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.025646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.025646 (E_RNA) where: Base-Base interactions energy: -29.733 where: short stacking energy: -29.733 Base-Backbone interact. energy: -0.126 local terms energy: -45.166493 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -10.163 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -70.505822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.505822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.505822 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -21.682 Base-Backbone interact. energy: 0.524 local terms energy: -49.348111 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -12.895 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: 0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -223.605808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.605808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.605808 (E_RNA) where: Base-Base interactions energy: -151.877 where: short stacking energy: -63.898 Base-Backbone interact. energy: -3.370 local terms energy: -68.359372 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -18.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -221.813889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.813889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.813889 (E_RNA) where: Base-Base interactions energy: -147.670 where: short stacking energy: -65.144 Base-Backbone interact. energy: -0.029 local terms energy: -74.114676 where: bonds (distance) C4'-P energy: -16.228 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -21.015 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: 2 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -215.062600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.062600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.062600 (E_RNA) where: Base-Base interactions energy: -143.991 where: short stacking energy: -60.559 Base-Backbone interact. energy: -0.005 local terms energy: -71.066931 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -14.080 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -213.326318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.326318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.326318 (E_RNA) where: Base-Base interactions energy: -143.762 where: short stacking energy: -58.844 Base-Backbone interact. energy: -0.563 local terms energy: -69.001637 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -15.818 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -20.215 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: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -211.117577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.117577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.117577 (E_RNA) where: Base-Base interactions energy: -135.939 where: short stacking energy: -64.115 Base-Backbone interact. energy: -1.239 local terms energy: -73.939754 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -16.579 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -18.325 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: 10 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -194.767635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.767635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.767635 (E_RNA) where: Base-Base interactions energy: -127.665 where: short stacking energy: -54.692 Base-Backbone interact. energy: -0.038 local terms energy: -67.064553 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -10.266 tors. eta vs tors. theta energy: -15.992 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: 4 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -97.894775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.894775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.894775 (E_RNA) where: Base-Base interactions energy: -48.491 where: short stacking energy: -22.746 Base-Backbone interact. energy: 0.050 local terms energy: -49.453584 where: bonds (distance) C4'-P energy: -17.772 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: 2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -82.925467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.925467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.925467 (E_RNA) where: Base-Base interactions energy: -30.590 where: short stacking energy: -30.590 Base-Backbone interact. energy: -0.104 local terms energy: -52.231640 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -7.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -77.306561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.306561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.306561 (E_RNA) where: Base-Base interactions energy: -32.250 where: short stacking energy: -26.683 Base-Backbone interact. energy: -0.578 local terms energy: -44.478453 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -2.183 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -77.783957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.783957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.783957 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -21.045 Base-Backbone interact. energy: -0.216 local terms energy: -52.663967 where: bonds (distance) C4'-P energy: -10.479 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -3.100 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: 3 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -222.482021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.482021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.482021 (E_RNA) where: Base-Base interactions energy: -150.413 where: short stacking energy: -62.865 Base-Backbone interact. energy: -0.047 local terms energy: -72.021834 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -17.200 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -17.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -217.727002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.727002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.727002 (E_RNA) where: Base-Base interactions energy: -141.288 where: short stacking energy: -59.923 Base-Backbone interact. energy: -0.042 local terms energy: -76.397074 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -16.999 flat angles C4'-P-C4' energy: -16.837 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -18.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -207.957160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.957160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.957160 (E_RNA) where: Base-Base interactions energy: -136.527 where: short stacking energy: -60.643 Base-Backbone interact. energy: -0.445 local terms energy: -70.985478 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -11.368 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -12.627 tors. eta vs tors. theta energy: -17.166 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: 2 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -216.770173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.770173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.770173 (E_RNA) where: Base-Base interactions energy: -148.452 where: short stacking energy: -66.587 Base-Backbone interact. energy: 0.251 local terms energy: -68.569325 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -10.354 tors. eta vs tors. theta energy: -16.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -200.068353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.068353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.068353 (E_RNA) where: Base-Base interactions energy: -134.867 where: short stacking energy: -57.781 Base-Backbone interact. energy: -0.412 local terms energy: -64.789862 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -193.855509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.855509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.855509 (E_RNA) where: Base-Base interactions energy: -135.152 where: short stacking energy: -59.864 Base-Backbone interact. energy: 0.370 local terms energy: -59.073326 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -8.549 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -88.430012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.430012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.430012 (E_RNA) where: Base-Base interactions energy: -30.397 where: short stacking energy: -30.397 Base-Backbone interact. energy: 2.699 local terms energy: -60.731773 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -12.910 tors. eta vs tors. theta energy: -5.398 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: 4 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -79.817993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.817993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.817993 (E_RNA) where: Base-Base interactions energy: -36.879 where: short stacking energy: -28.463 Base-Backbone interact. energy: 1.448 local terms energy: -44.387147 where: bonds (distance) C4'-P energy: -12.017 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -4.183 tors. eta vs tors. theta energy: -3.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -75.545929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.545929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.545929 (E_RNA) where: Base-Base interactions energy: -20.492 where: short stacking energy: -20.322 Base-Backbone interact. energy: -0.731 local terms energy: -54.323413 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -4.571 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: 9 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -72.398246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.398246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.398246 (E_RNA) where: Base-Base interactions energy: -22.848 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.071 local terms energy: -49.478529 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -12.015 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -225.403088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.403088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.403088 (E_RNA) where: Base-Base interactions energy: -151.277 where: short stacking energy: -67.815 Base-Backbone interact. energy: -0.052 local terms energy: -74.074568 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -20.123 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -221.439813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.439813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.439813 (E_RNA) where: Base-Base interactions energy: -146.065 where: short stacking energy: -67.442 Base-Backbone interact. energy: -0.005 local terms energy: -75.370126 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -12.210 flat angles C4'-P-C4' energy: -17.791 flat angles P-C4'-P energy: -13.934 tors. eta vs tors. theta energy: -17.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -213.798816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.798816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.798816 (E_RNA) where: Base-Base interactions energy: -140.108 where: short stacking energy: -71.380 Base-Backbone interact. energy: -0.752 local terms energy: -72.938431 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -19.660 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: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -204.454732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.454732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.454732 (E_RNA) where: Base-Base interactions energy: -126.797 where: short stacking energy: -60.644 Base-Backbone interact. energy: -0.048 local terms energy: -77.609503 where: bonds (distance) C4'-P energy: -17.080 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -13.097 tors. eta vs tors. theta energy: -20.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -211.297444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.297444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.297444 (E_RNA) where: Base-Base interactions energy: -142.081 where: short stacking energy: -53.147 Base-Backbone interact. energy: -0.681 local terms energy: -68.534968 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -13.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -193.079461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.079461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.079461 (E_RNA) where: Base-Base interactions energy: -122.947 where: short stacking energy: -58.642 Base-Backbone interact. energy: -0.065 local terms energy: -70.067435 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -15.877 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -78.766126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.766126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.766126 (E_RNA) where: Base-Base interactions energy: -32.437 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.211 local terms energy: -46.117542 where: bonds (distance) C4'-P energy: -8.428 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -88.003145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.003145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.003145 (E_RNA) where: Base-Base interactions energy: -39.181 where: short stacking energy: -38.184 Base-Backbone interact. energy: -0.032 local terms energy: -48.789626 where: bonds (distance) C4'-P energy: -11.567 bonds (distance) P-C4' energy: -9.405 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -8.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -88.664878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.664878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.664878 (E_RNA) where: Base-Base interactions energy: -40.878 where: short stacking energy: -26.141 Base-Backbone interact. energy: -0.050 local terms energy: -47.736982 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -66.239582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.239582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.239582 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -23.161 Base-Backbone interact. energy: -0.242 local terms energy: -41.842357 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -13.235 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -3.028 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: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -227.693189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.693189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.693189 (E_RNA) where: Base-Base interactions energy: -151.559 where: short stacking energy: -68.693 Base-Backbone interact. energy: -0.020 local terms energy: -76.114380 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -17.075 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -17.937 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: 3 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -224.206175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.206175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.206175 (E_RNA) where: Base-Base interactions energy: -151.782 where: short stacking energy: -70.647 Base-Backbone interact. energy: 0.269 local terms energy: -72.692566 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -17.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -208.695289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.695289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.695289 (E_RNA) where: Base-Base interactions energy: -138.660 where: short stacking energy: -56.712 Base-Backbone interact. energy: -0.319 local terms energy: -69.716305 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -11.297 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -17.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -208.039081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.039081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.039081 (E_RNA) where: Base-Base interactions energy: -139.835 where: short stacking energy: -63.979 Base-Backbone interact. energy: 0.737 local terms energy: -68.940218 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -213.138460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.138460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.138460 (E_RNA) where: Base-Base interactions energy: -143.391 where: short stacking energy: -52.537 Base-Backbone interact. energy: -0.439 local terms energy: -69.307880 where: bonds (distance) C4'-P energy: -11.402 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -15.864 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -16.399 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: 170 Temperature: 1.150000 Total energy: -184.406559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.406559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.406559 (E_RNA) where: Base-Base interactions energy: -121.522 where: short stacking energy: -52.828 Base-Backbone interact. energy: -0.111 local terms energy: -62.772757 where: bonds (distance) C4'-P energy: -10.348 bonds (distance) P-C4' energy: -13.775 flat angles C4'-P-C4' energy: -12.232 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -16.050 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: 7 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -88.523856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.523856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.523856 (E_RNA) where: Base-Base interactions energy: -29.604 where: short stacking energy: -26.787 Base-Backbone interact. energy: -0.007 local terms energy: -58.912863 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -83.214901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.214901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.214901 (E_RNA) where: Base-Base interactions energy: -28.077 where: short stacking energy: -21.105 Base-Backbone interact. energy: -1.039 local terms energy: -54.098605 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -12.423 tors. eta vs tors. theta energy: -2.106 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: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -81.134929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.134929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.134929 (E_RNA) where: Base-Base interactions energy: -28.710 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.380 local terms energy: -52.044770 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -7.839 tors. eta vs tors. theta energy: -3.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -70.665525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.665525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.665525 (E_RNA) where: Base-Base interactions energy: -20.513 where: short stacking energy: -20.513 Base-Backbone interact. energy: -0.060 local terms energy: -50.092504 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -14.277 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -3.594 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: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -231.267853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.267853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.267853 (E_RNA) where: Base-Base interactions energy: -151.950 where: short stacking energy: -72.077 Base-Backbone interact. energy: -1.188 local terms energy: -78.129346 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -14.493 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -19.605 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: 2, replica: 2 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -215.780410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.780410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.780410 (E_RNA) where: Base-Base interactions energy: -146.569 where: short stacking energy: -63.252 Base-Backbone interact. energy: -0.004 local terms energy: -69.207891 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -219.938475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.938475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.938475 (E_RNA) where: Base-Base interactions energy: -145.234 where: short stacking energy: -65.559 Base-Backbone interact. energy: -0.745 local terms energy: -73.959522 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -14.900 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -17.692 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: 171 Temperature: 1.050000 Total energy: -208.380010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.380010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.380010 (E_RNA) where: Base-Base interactions energy: -150.851 where: short stacking energy: -55.003 Base-Backbone interact. energy: -0.269 local terms energy: -57.259434 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -8.318 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -12.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -207.197115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.197115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.197115 (E_RNA) where: Base-Base interactions energy: -135.264 where: short stacking energy: -64.273 Base-Backbone interact. energy: -0.002 local terms energy: -71.930619 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -11.881 tors. eta vs tors. theta energy: -20.223 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: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -195.822249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.822249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.822249 (E_RNA) where: Base-Base interactions energy: -131.207 where: short stacking energy: -57.083 Base-Backbone interact. energy: -0.211 local terms energy: -64.403375 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -10.617 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -10.286 tors. eta vs tors. theta energy: -17.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -80.569519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.569519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.569519 (E_RNA) where: Base-Base interactions energy: -27.899 where: short stacking energy: -26.180 Base-Backbone interact. energy: -0.190 local terms energy: -52.480545 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -7.692 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: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -107.087261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.087261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.087261 (E_RNA) where: Base-Base interactions energy: -62.339 where: short stacking energy: -33.340 Base-Backbone interact. energy: -0.386 local terms energy: -44.361685 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -12.524 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -7.041 tors. eta vs tors. theta energy: -7.791 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: 8 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -95.627560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.627560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.627560 (E_RNA) where: Base-Base interactions energy: -49.558 where: short stacking energy: -26.774 Base-Backbone interact. energy: -0.110 local terms energy: -45.960247 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -75.742112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.742112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.742112 (E_RNA) where: Base-Base interactions energy: -27.781 where: short stacking energy: -27.781 Base-Backbone interact. energy: -0.024 local terms energy: -47.936614 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -215.478442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.478442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.478442 (E_RNA) where: Base-Base interactions energy: -148.017 where: short stacking energy: -59.089 Base-Backbone interact. energy: -0.343 local terms energy: -67.118296 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -12.988 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -16.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -223.900461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.900461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.900461 (E_RNA) where: Base-Base interactions energy: -147.723 where: short stacking energy: -66.638 Base-Backbone interact. energy: -1.409 local terms energy: -74.768039 where: bonds (distance) C4'-P energy: -17.362 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -15.147 flat angles P-C4'-P energy: -11.669 tors. eta vs tors. theta energy: -17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -214.291018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.291018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.291018 (E_RNA) where: Base-Base interactions energy: -140.415 where: short stacking energy: -56.049 Base-Backbone interact. energy: -0.233 local terms energy: -73.642847 where: bonds (distance) C4'-P energy: -15.825 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -18.192 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -15.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -209.205861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.205861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.205861 (E_RNA) where: Base-Base interactions energy: -136.625 where: short stacking energy: -60.762 Base-Backbone interact. energy: -1.019 local terms energy: -71.562263 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -194.607679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.607679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.607679 (E_RNA) where: Base-Base interactions energy: -131.353 where: short stacking energy: -55.485 Base-Backbone interact. energy: -0.163 local terms energy: -63.091122 where: bonds (distance) C4'-P energy: -10.829 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -16.475 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -189.665031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.665031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.665031 (E_RNA) where: Base-Base interactions energy: -124.670 where: short stacking energy: -56.928 Base-Backbone interact. energy: -0.019 local terms energy: -64.975591 where: bonds (distance) C4'-P energy: -16.340 bonds (distance) P-C4' energy: -9.805 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -14.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -84.130246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.130246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.130246 (E_RNA) where: Base-Base interactions energy: -34.285 where: short stacking energy: -32.091 Base-Backbone interact. energy: -0.096 local terms energy: -49.748621 where: bonds (distance) C4'-P energy: -16.952 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -83.764164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.764164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.764164 (E_RNA) where: Base-Base interactions energy: -34.291 where: short stacking energy: -34.212 Base-Backbone interact. energy: -0.010 local terms energy: -49.462953 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -8.879 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: 8 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -78.432903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.432903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.432903 (E_RNA) where: Base-Base interactions energy: -24.967 where: short stacking energy: -24.967 Base-Backbone interact. energy: -0.016 local terms energy: -53.449978 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -14.646 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: -6.832 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: 9 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -79.244360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.244360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.244360 (E_RNA) where: Base-Base interactions energy: -27.606 where: short stacking energy: -25.607 Base-Backbone interact. energy: -0.157 local terms energy: -51.481869 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -228.506893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.506893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.506893 (E_RNA) where: Base-Base interactions energy: -152.769 where: short stacking energy: -69.328 Base-Backbone interact. energy: -0.003 local terms energy: -75.735175 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -20.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -216.158939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.158939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.158939 (E_RNA) where: Base-Base interactions energy: -149.309 where: short stacking energy: -60.444 Base-Backbone interact. energy: 0.022 local terms energy: -66.872331 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -12.235 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -213.616618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.616618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.616618 (E_RNA) where: Base-Base interactions energy: -140.870 where: short stacking energy: -58.566 Base-Backbone interact. energy: -0.000 local terms energy: -72.746361 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -17.308 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -17.370 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: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -205.735700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.735700 (E_RNA) where: Base-Base interactions energy: -133.878 where: short stacking energy: -64.202 Base-Backbone interact. energy: -0.001 local terms energy: -71.857204 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -8.626 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: 5, replica: 5 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -205.531537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.531537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.531537 (E_RNA) where: Base-Base interactions energy: -134.399 where: short stacking energy: -58.304 Base-Backbone interact. energy: -0.017 local terms energy: -71.115160 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -13.498 tors. eta vs tors. theta energy: -18.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -200.435971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.435971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.435971 (E_RNA) where: Base-Base interactions energy: -130.434 where: short stacking energy: -55.046 Base-Backbone interact. energy: -0.007 local terms energy: -69.994703 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -15.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -85.980057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.980057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.980057 (E_RNA) where: Base-Base interactions energy: -35.986 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.094 local terms energy: -49.900062 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -89.498771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.498771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.498771 (E_RNA) where: Base-Base interactions energy: -33.444 where: short stacking energy: -23.932 Base-Backbone interact. energy: 1.394 local terms energy: -57.447855 where: bonds (distance) C4'-P energy: -12.158 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -9.588 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -8.188 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: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -76.306717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.306717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.306717 (E_RNA) where: Base-Base interactions energy: -29.787 where: short stacking energy: -27.254 Base-Backbone interact. energy: -0.124 local terms energy: -46.394820 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -90.894509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.894509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.894509 (E_RNA) where: Base-Base interactions energy: -45.219 where: short stacking energy: -29.587 Base-Backbone interact. energy: -0.206 local terms energy: -45.470044 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -10.365 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -5.141 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: 1, replica: 2 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -220.858054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.858054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.858054 (E_RNA) where: Base-Base interactions energy: -144.173 where: short stacking energy: -62.896 Base-Backbone interact. energy: -0.025 local terms energy: -76.660114 where: bonds (distance) C4'-P energy: -15.912 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -13.623 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -21.505 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: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -216.243086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.243086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.243086 (E_RNA) where: Base-Base interactions energy: -148.383 where: short stacking energy: -57.064 Base-Backbone interact. energy: -0.012 local terms energy: -67.847709 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -16.632 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -16.442 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: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -204.783301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.783301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.783301 (E_RNA) where: Base-Base interactions energy: -139.469 where: short stacking energy: -57.269 Base-Backbone interact. energy: 0.063 local terms energy: -65.377911 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -8.214 tors. eta vs tors. theta energy: -13.025 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: 174 Temperature: 1.050000 Total energy: -212.385512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.385512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.385512 (E_RNA) where: Base-Base interactions energy: -135.277 where: short stacking energy: -61.856 Base-Backbone interact. energy: -0.789 local terms energy: -76.319548 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -16.818 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -18.187 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: 174 Temperature: 1.100000 Total energy: -210.416641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.416641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.416641 (E_RNA) where: Base-Base interactions energy: -142.042 where: short stacking energy: -58.035 Base-Backbone interact. energy: -0.461 local terms energy: -67.914218 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -11.604 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -192.200872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.200872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.200872 (E_RNA) where: Base-Base interactions energy: -122.457 where: short stacking energy: -51.377 Base-Backbone interact. energy: -0.799 local terms energy: -68.944853 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -15.140 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -16.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -86.544161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.544161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.544161 (E_RNA) where: Base-Base interactions energy: -31.570 where: short stacking energy: -31.144 Base-Backbone interact. energy: -0.027 local terms energy: -54.947573 where: bonds (distance) C4'-P energy: -8.142 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -14.842 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -7.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -78.947176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.947176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.947176 (E_RNA) where: Base-Base interactions energy: -24.458 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.102 local terms energy: -54.387120 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -79.677703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.677703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.677703 (E_RNA) where: Base-Base interactions energy: -37.607 where: short stacking energy: -37.607 Base-Backbone interact. energy: -0.194 local terms energy: -41.876586 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -14.562 flat angles P-C4'-P energy: -1.362 tors. eta vs tors. theta energy: -6.335 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: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -64.941232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.941232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.941232 (E_RNA) where: Base-Base interactions energy: -19.594 where: short stacking energy: -13.307 Base-Backbone interact. energy: 0.074 local terms energy: -45.421039 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -5.092 tors. eta vs tors. theta energy: 0.161 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: 1, replica: 2 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -228.079751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.079751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.079751 (E_RNA) where: Base-Base interactions energy: -147.300 where: short stacking energy: -67.648 Base-Backbone interact. energy: -0.007 local terms energy: -80.772573 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -17.787 flat angles P-C4'-P energy: -14.091 tors. eta vs tors. theta energy: -18.720 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: 3 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -226.975590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.975590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.975590 (E_RNA) where: Base-Base interactions energy: -151.223 where: short stacking energy: -67.701 Base-Backbone interact. energy: -0.045 local terms energy: -75.707246 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -17.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -216.508299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.508299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.508299 (E_RNA) where: Base-Base interactions energy: -144.451 where: short stacking energy: -60.719 Base-Backbone interact. energy: -0.005 local terms energy: -72.052280 where: bonds (distance) C4'-P energy: -15.109 bonds (distance) P-C4' energy: -14.322 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -18.561 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: 5 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -211.428296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.428296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.428296 (E_RNA) where: Base-Base interactions energy: -148.145 where: short stacking energy: -51.547 Base-Backbone interact. energy: 2.708 local terms energy: -65.991064 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -17.341 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -204.486313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.486313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.486313 (E_RNA) where: Base-Base interactions energy: -138.032 where: short stacking energy: -58.808 Base-Backbone interact. energy: 1.144 local terms energy: -67.598786 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -15.647 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -9.047 tors. eta vs tors. theta energy: -16.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -195.765066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.765066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.765066 (E_RNA) where: Base-Base interactions energy: -136.145 where: short stacking energy: -65.606 Base-Backbone interact. energy: -0.570 local terms energy: -59.050335 where: bonds (distance) C4'-P energy: -8.432 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -11.431 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -83.479243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.479243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.479243 (E_RNA) where: Base-Base interactions energy: -30.980 where: short stacking energy: -30.980 Base-Backbone interact. energy: -0.137 local terms energy: -52.362211 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -12.428 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -9.508 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: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -81.584153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.584153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.584153 (E_RNA) where: Base-Base interactions energy: -27.831 where: short stacking energy: -27.831 Base-Backbone interact. energy: -0.092 local terms energy: -53.661763 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -10.944 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -81.331783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.331783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.331783 (E_RNA) where: Base-Base interactions energy: -29.771 where: short stacking energy: -25.388 Base-Backbone interact. energy: 0.136 local terms energy: -51.696861 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -13.030 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -81.164393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.164393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.164393 (E_RNA) where: Base-Base interactions energy: -36.512 where: short stacking energy: -36.112 Base-Backbone interact. energy: -0.012 local terms energy: -44.640138 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -10.146 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -221.912746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.912746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.912746 (E_RNA) where: Base-Base interactions energy: -141.691 where: short stacking energy: -64.529 Base-Backbone interact. energy: -0.396 local terms energy: -79.826346 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -13.119 tors. eta vs tors. theta energy: -18.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -225.381292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.381292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.381292 (E_RNA) where: Base-Base interactions energy: -151.999 where: short stacking energy: -69.576 Base-Backbone interact. energy: 0.482 local terms energy: -73.864421 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -18.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -213.096379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.096379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.096379 (E_RNA) where: Base-Base interactions energy: -139.090 where: short stacking energy: -65.505 Base-Backbone interact. energy: -0.299 local terms energy: -73.708095 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -12.261 tors. eta vs tors. theta energy: -15.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -211.083133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.083133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.083133 (E_RNA) where: Base-Base interactions energy: -141.706 where: short stacking energy: -59.298 Base-Backbone interact. energy: 0.389 local terms energy: -69.766589 where: bonds (distance) C4'-P energy: -5.587 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -16.186 flat angles P-C4'-P energy: -11.821 tors. eta vs tors. theta energy: -19.308 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: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -210.973868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.973868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.973868 (E_RNA) where: Base-Base interactions energy: -150.209 where: short stacking energy: -59.352 Base-Backbone interact. energy: -0.176 local terms energy: -60.589294 where: bonds (distance) C4'-P energy: -9.298 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -9.402 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: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -191.872292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.872292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.872292 (E_RNA) where: Base-Base interactions energy: -123.700 where: short stacking energy: -56.030 Base-Backbone interact. energy: -0.053 local terms energy: -68.119783 where: bonds (distance) C4'-P energy: -8.321 bonds (distance) P-C4' energy: -16.186 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -17.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -88.055947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.055947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.055947 (E_RNA) where: Base-Base interactions energy: -34.145 where: short stacking energy: -30.934 Base-Backbone interact. energy: -0.001 local terms energy: -53.909708 where: bonds (distance) C4'-P energy: -8.551 bonds (distance) P-C4' energy: -10.418 flat angles C4'-P-C4' energy: -16.646 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -8.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -87.743821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.743821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.743821 (E_RNA) where: Base-Base interactions energy: -44.638 where: short stacking energy: -30.358 Base-Backbone interact. energy: -0.268 local terms energy: -42.838033 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -10.952 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.162 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: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -77.769518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.769518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.769518 (E_RNA) where: Base-Base interactions energy: -33.816 where: short stacking energy: -22.507 Base-Backbone interact. energy: -0.112 local terms energy: -43.841235 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -1.659 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: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -78.521254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.521254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.521254 (E_RNA) where: Base-Base interactions energy: -33.691 where: short stacking energy: -26.724 Base-Backbone interact. energy: -0.204 local terms energy: -44.626844 where: bonds (distance) C4'-P energy: -8.295 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -10.874 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: 0.759 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: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -221.787041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.787041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.787041 (E_RNA) where: Base-Base interactions energy: -144.020 where: short stacking energy: -66.519 Base-Backbone interact. energy: -0.268 local terms energy: -77.499159 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -18.306 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -21.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -219.192566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.192566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.192566 (E_RNA) where: Base-Base interactions energy: -145.134 where: short stacking energy: -65.079 Base-Backbone interact. energy: -0.010 local terms energy: -74.047980 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -203.111975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.111975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.111975 (E_RNA) where: Base-Base interactions energy: -136.966 where: short stacking energy: -51.028 Base-Backbone interact. energy: -0.127 local terms energy: -66.018841 where: bonds (distance) C4'-P energy: -10.918 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -12.165 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -15.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -204.389769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.389769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.389769 (E_RNA) where: Base-Base interactions energy: -131.463 where: short stacking energy: -61.693 Base-Backbone interact. energy: -0.052 local terms energy: -72.874419 where: bonds (distance) C4'-P energy: -12.368 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -16.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -196.133408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.133408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.133408 (E_RNA) where: Base-Base interactions energy: -137.108 where: short stacking energy: -56.712 Base-Backbone interact. energy: -0.106 local terms energy: -58.919267 where: bonds (distance) C4'-P energy: -15.160 bonds (distance) P-C4' energy: -7.138 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -186.527029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.527029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.527029 (E_RNA) where: Base-Base interactions energy: -124.948 where: short stacking energy: -47.459 Base-Backbone interact. energy: -0.277 local terms energy: -61.301717 where: bonds (distance) C4'-P energy: -5.870 bonds (distance) P-C4' energy: -15.056 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -89.852369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.852369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.852369 (E_RNA) where: Base-Base interactions energy: -37.273 where: short stacking energy: -37.273 Base-Backbone interact. energy: -0.445 local terms energy: -52.134454 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -9.753 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -79.776392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.776392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.776392 (E_RNA) where: Base-Base interactions energy: -33.324 where: short stacking energy: -14.880 Base-Backbone interact. energy: -0.131 local terms energy: -46.321041 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -9.486 flat angles P-C4'-P energy: -8.077 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: 9, replica: 9 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -70.115556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.115556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.115556 (E_RNA) where: Base-Base interactions energy: -26.412 where: short stacking energy: -26.412 Base-Backbone interact. energy: 0.013 local terms energy: -43.717067 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -6.754 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -7.512 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -68.510020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.510020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.510020 (E_RNA) where: Base-Base interactions energy: -26.939 where: short stacking energy: -21.453 Base-Backbone interact. energy: 2.207 local terms energy: -43.777729 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: 2.810 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: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -218.779842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.779842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.779842 (E_RNA) where: Base-Base interactions energy: -147.881 where: short stacking energy: -63.019 Base-Backbone interact. energy: -0.002 local terms energy: -70.897088 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -19.965 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: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -217.598665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.598665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.598665 (E_RNA) where: Base-Base interactions energy: -139.460 where: short stacking energy: -55.105 Base-Backbone interact. energy: -0.022 local terms energy: -78.116789 where: bonds (distance) C4'-P energy: -15.964 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -11.490 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: 3, replica: 10 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -216.103574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.103574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.103574 (E_RNA) where: Base-Base interactions energy: -141.018 where: short stacking energy: -66.417 Base-Backbone interact. energy: -0.009 local terms energy: -75.076875 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -14.801 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -18.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -208.806980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.806980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.806980 (E_RNA) where: Base-Base interactions energy: -141.921 where: short stacking energy: -52.750 Base-Backbone interact. energy: -0.154 local terms energy: -66.732105 where: bonds (distance) C4'-P energy: -12.870 bonds (distance) P-C4' energy: -16.762 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -193.851575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.851575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.851575 (E_RNA) where: Base-Base interactions energy: -125.144 where: short stacking energy: -51.805 Base-Backbone interact. energy: -0.019 local terms energy: -68.689220 where: bonds (distance) C4'-P energy: -9.042 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -16.413 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -199.243574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.243574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.243574 (E_RNA) where: Base-Base interactions energy: -127.310 where: short stacking energy: -60.297 Base-Backbone interact. energy: -0.039 local terms energy: -71.894031 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -13.108 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -19.425 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: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -80.936236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.936236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.936236 (E_RNA) where: Base-Base interactions energy: -30.321 where: short stacking energy: -30.321 Base-Backbone interact. energy: -1.207 local terms energy: -49.408350 where: bonds (distance) C4'-P energy: -10.154 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -11.656 tors. eta vs tors. theta energy: -0.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -80.593300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.593300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.593300 (E_RNA) where: Base-Base interactions energy: -37.720 where: short stacking energy: -25.758 Base-Backbone interact. energy: 3.705 local terms energy: -46.578422 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: 0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -72.205617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.205617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.205617 (E_RNA) where: Base-Base interactions energy: -29.769 where: short stacking energy: -24.878 Base-Backbone interact. energy: -0.326 local terms energy: -42.111393 where: bonds (distance) C4'-P energy: -9.567 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -68.202146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.202146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.202146 (E_RNA) where: Base-Base interactions energy: -20.429 where: short stacking energy: -14.787 Base-Backbone interact. energy: -0.175 local terms energy: -47.598131 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: 0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -219.160964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.160964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.160964 (E_RNA) where: Base-Base interactions energy: -145.352 where: short stacking energy: -56.955 Base-Backbone interact. energy: -0.031 local terms energy: -73.777517 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -16.890 flat angles P-C4'-P energy: -11.952 tors. eta vs tors. theta energy: -14.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -224.587567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.587567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.587567 (E_RNA) where: Base-Base interactions energy: -146.332 where: short stacking energy: -69.313 Base-Backbone interact. energy: -1.685 local terms energy: -76.570197 where: bonds (distance) C4'-P energy: -11.516 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -15.989 flat angles P-C4'-P energy: -12.573 tors. eta vs tors. theta energy: -21.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -213.290706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.290706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.290706 (E_RNA) where: Base-Base interactions energy: -134.056 where: short stacking energy: -63.466 Base-Backbone interact. energy: -0.739 local terms energy: -78.495285 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -21.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -210.225154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.225154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.225154 (E_RNA) where: Base-Base interactions energy: -136.886 where: short stacking energy: -62.268 Base-Backbone interact. energy: -2.722 local terms energy: -70.617573 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -20.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -202.575387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.575387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.575387 (E_RNA) where: Base-Base interactions energy: -136.139 where: short stacking energy: -51.276 Base-Backbone interact. energy: -0.064 local terms energy: -66.371979 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -13.462 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: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -206.592326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.592326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.592326 (E_RNA) where: Base-Base interactions energy: -136.678 where: short stacking energy: -66.978 Base-Backbone interact. energy: -1.282 local terms energy: -68.632664 where: bonds (distance) C4'-P energy: -14.008 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -86.227302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.227302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.227302 (E_RNA) where: Base-Base interactions energy: -34.733 where: short stacking energy: -28.195 Base-Backbone interact. energy: -0.791 local terms energy: -50.703146 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -9.553 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -2.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -86.106868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.106868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.106868 (E_RNA) where: Base-Base interactions energy: -44.756 where: short stacking energy: -24.597 Base-Backbone interact. energy: -0.447 local terms energy: -40.903372 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -10.529 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -80.174600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.174600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.174600 (E_RNA) where: Base-Base interactions energy: -31.871 where: short stacking energy: -31.871 Base-Backbone interact. energy: -0.066 local terms energy: -48.237483 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -5.698 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -9.306 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: 9 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -70.687494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.687494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.687494 (E_RNA) where: Base-Base interactions energy: -20.528 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.797 local terms energy: -49.362530 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.758 flat angles P-C4'-P energy: -10.769 tors. eta vs tors. theta energy: -1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -220.858379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.858379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.858379 (E_RNA) where: Base-Base interactions energy: -147.724 where: short stacking energy: -66.761 Base-Backbone interact. energy: -1.384 local terms energy: -71.750069 where: bonds (distance) C4'-P energy: -16.021 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -20.983 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: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -216.753904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.753904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.753904 (E_RNA) where: Base-Base interactions energy: -146.411 where: short stacking energy: -69.716 Base-Backbone interact. energy: -0.007 local terms energy: -70.335823 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -17.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -210.548331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.548331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.548331 (E_RNA) where: Base-Base interactions energy: -132.340 where: short stacking energy: -61.263 Base-Backbone interact. energy: -1.359 local terms energy: -76.849375 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -207.778384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.778384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.778384 (E_RNA) where: Base-Base interactions energy: -138.712 where: short stacking energy: -60.142 Base-Backbone interact. energy: -2.052 local terms energy: -67.014965 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -15.577 flat angles C4'-P-C4' energy: -11.248 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -18.608 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: 5, replica: 5 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -194.878392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.878392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.878392 (E_RNA) where: Base-Base interactions energy: -130.845 where: short stacking energy: -53.867 Base-Backbone interact. energy: -0.024 local terms energy: -64.009395 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -9.771 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -16.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -196.283864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.283864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.283864 (E_RNA) where: Base-Base interactions energy: -132.370 where: short stacking energy: -55.764 Base-Backbone interact. energy: -0.002 local terms energy: -63.911844 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -19.945 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: 8 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -87.923054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.923054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.923054 (E_RNA) where: Base-Base interactions energy: -28.213 where: short stacking energy: -27.486 Base-Backbone interact. energy: -0.063 local terms energy: -59.647355 where: bonds (distance) C4'-P energy: -16.551 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -91.485492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.485492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.485492 (E_RNA) where: Base-Base interactions energy: -44.236 where: short stacking energy: -25.118 Base-Backbone interact. energy: -0.175 local terms energy: -47.075048 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -75.784590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.784590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.784590 (E_RNA) where: Base-Base interactions energy: -27.931 where: short stacking energy: -26.687 Base-Backbone interact. energy: -0.077 local terms energy: -47.777017 where: bonds (distance) C4'-P energy: -9.501 bonds (distance) P-C4' energy: -13.488 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -71.766039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.766039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.766039 (E_RNA) where: Base-Base interactions energy: -26.563 where: short stacking energy: -26.563 Base-Backbone interact. energy: -1.125 local terms energy: -44.078057 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -0.649 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: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -219.664468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.664468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.664468 (E_RNA) where: Base-Base interactions energy: -141.234 where: short stacking energy: -69.537 Base-Backbone interact. energy: -0.413 local terms energy: -78.016989 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -22.082 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: 6 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -214.758047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.758047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.758047 (E_RNA) where: Base-Base interactions energy: -143.867 where: short stacking energy: -60.304 Base-Backbone interact. energy: -0.003 local terms energy: -70.887374 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -19.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -209.525984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.525984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.525984 (E_RNA) where: Base-Base interactions energy: -136.538 where: short stacking energy: -63.397 Base-Backbone interact. energy: -0.292 local terms energy: -72.695793 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -12.613 flat angles P-C4'-P energy: -13.019 tors. eta vs tors. theta energy: -19.095 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: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -198.569908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.569908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.569908 (E_RNA) where: Base-Base interactions energy: -133.287 where: short stacking energy: -55.157 Base-Backbone interact. energy: -0.370 local terms energy: -64.913040 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -15.639 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: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -182.297386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.297386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.297386 (E_RNA) where: Base-Base interactions energy: -124.152 where: short stacking energy: -54.492 Base-Backbone interact. energy: -0.162 local terms energy: -57.982572 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -14.024 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: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -199.523009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.523009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.523009 (E_RNA) where: Base-Base interactions energy: -135.594 where: short stacking energy: -59.563 Base-Backbone interact. energy: -0.002 local terms energy: -63.926789 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -13.302 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -16.252 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: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -80.582726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.582726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.582726 (E_RNA) where: Base-Base interactions energy: -26.039 where: short stacking energy: -26.039 Base-Backbone interact. energy: -0.161 local terms energy: -54.382707 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -3.706 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: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -94.184518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.184518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.184518 (E_RNA) where: Base-Base interactions energy: -41.266 where: short stacking energy: -41.266 Base-Backbone interact. energy: -0.066 local terms energy: -52.853190 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -9.324 tors. eta vs tors. theta energy: -6.461 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: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -83.339524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.339524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.339524 (E_RNA) where: Base-Base interactions energy: -27.984 where: short stacking energy: -26.069 Base-Backbone interact. energy: -0.094 local terms energy: -55.261025 where: bonds (distance) C4'-P energy: -16.117 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -4.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -74.739772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.739772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.739772 (E_RNA) where: Base-Base interactions energy: -33.590 where: short stacking energy: -30.828 Base-Backbone interact. energy: -0.299 local terms energy: -40.850072 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -220.525125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.525125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.525125 (E_RNA) where: Base-Base interactions energy: -147.386 where: short stacking energy: -65.397 Base-Backbone interact. energy: -0.130 local terms energy: -73.008909 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -16.834 flat angles P-C4'-P energy: -12.459 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -214.185956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.185956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.185956 (E_RNA) where: Base-Base interactions energy: -136.479 where: short stacking energy: -64.881 Base-Backbone interact. energy: -1.686 local terms energy: -76.021282 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -11.170 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -12.759 tors. eta vs tors. theta energy: -21.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -204.671893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.671893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.671893 (E_RNA) where: Base-Base interactions energy: -133.842 where: short stacking energy: -58.167 Base-Backbone interact. energy: -0.320 local terms energy: -70.510040 where: bonds (distance) C4'-P energy: -16.695 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -16.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -198.379392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.379392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.379392 (E_RNA) where: Base-Base interactions energy: -135.978 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.094 local terms energy: -62.306773 where: bonds (distance) C4'-P energy: -9.608 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -12.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -199.234370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.234370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.234370 (E_RNA) where: Base-Base interactions energy: -128.264 where: short stacking energy: -55.443 Base-Backbone interact. energy: -0.244 local terms energy: -70.726956 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -14.739 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: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -191.255038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.255038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.255038 (E_RNA) where: Base-Base interactions energy: -129.407 where: short stacking energy: -57.359 Base-Backbone interact. energy: -0.019 local terms energy: -61.828686 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -14.955 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: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -91.421717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.421717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.421717 (E_RNA) where: Base-Base interactions energy: -38.363 where: short stacking energy: -26.607 Base-Backbone interact. energy: 0.010 local terms energy: -53.068924 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -10.903 flat angles C4'-P-C4' energy: -12.082 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -6.191 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: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -88.119145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.119145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.119145 (E_RNA) where: Base-Base interactions energy: -42.413 where: short stacking energy: -26.784 Base-Backbone interact. energy: 1.243 local terms energy: -46.949015 where: bonds (distance) C4'-P energy: -15.409 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -7.556 tors. eta vs tors. theta energy: -4.259 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: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -78.462702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.462702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.462702 (E_RNA) where: Base-Base interactions energy: -25.627 where: short stacking energy: -22.283 Base-Backbone interact. energy: -0.444 local terms energy: -52.391447 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -10.415 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -71.230345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.230345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.230345 (E_RNA) where: Base-Base interactions energy: -32.135 where: short stacking energy: -23.323 Base-Backbone interact. energy: -0.039 local terms energy: -39.056434 where: bonds (distance) C4'-P energy: -5.985 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -221.402172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.402172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.402172 (E_RNA) where: Base-Base interactions energy: -148.450 where: short stacking energy: -67.949 Base-Backbone interact. energy: -0.890 local terms energy: -72.062539 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -13.705 flat angles P-C4'-P energy: -9.047 tors. eta vs tors. theta energy: -19.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -207.154271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.154271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.154271 (E_RNA) where: Base-Base interactions energy: -139.234 where: short stacking energy: -61.211 Base-Backbone interact. energy: -0.000 local terms energy: -67.919921 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -211.427916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.427916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.427916 (E_RNA) where: Base-Base interactions energy: -144.765 where: short stacking energy: -62.002 Base-Backbone interact. energy: -0.051 local terms energy: -66.611744 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -17.504 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: 5 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -208.696466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.696466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.696466 (E_RNA) where: Base-Base interactions energy: -134.371 where: short stacking energy: -66.558 Base-Backbone interact. energy: -0.686 local terms energy: -73.640162 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -13.173 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: -19.690 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: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -216.597340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.597340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.597340 (E_RNA) where: Base-Base interactions energy: -149.411 where: short stacking energy: -65.045 Base-Backbone interact. energy: -0.290 local terms energy: -66.896103 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -192.261621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.261621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.261621 (E_RNA) where: Base-Base interactions energy: -124.664 where: short stacking energy: -56.883 Base-Backbone interact. energy: -0.039 local terms energy: -67.558584 where: bonds (distance) C4'-P energy: -13.871 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -12.795 tors. eta vs tors. theta energy: -14.765 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: 7, replica: 9 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -90.552100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.552100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.552100 (E_RNA) where: Base-Base interactions energy: -38.137 where: short stacking energy: -31.466 Base-Backbone interact. energy: -0.330 local terms energy: -52.085003 where: bonds (distance) C4'-P energy: -4.215 bonds (distance) P-C4' energy: -17.467 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -11.029 tors. eta vs tors. theta energy: -6.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -93.959618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.959618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.959618 (E_RNA) where: Base-Base interactions energy: -42.651 where: short stacking energy: -41.430 Base-Backbone interact. energy: -0.014 local terms energy: -51.294041 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -15.040 flat angles P-C4'-P energy: -7.739 tors. eta vs tors. theta energy: -6.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -78.471319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.471319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.471319 (E_RNA) where: Base-Base interactions energy: -30.699 where: short stacking energy: -30.699 Base-Backbone interact. energy: 0.649 local terms energy: -48.421400 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -67.917469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.917469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.917469 (E_RNA) where: Base-Base interactions energy: -21.516 where: short stacking energy: -21.516 Base-Backbone interact. energy: 0.132 local terms energy: -46.532772 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -9.770 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -0.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -216.770347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.770347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.770347 (E_RNA) where: Base-Base interactions energy: -137.381 where: short stacking energy: -61.503 Base-Backbone interact. energy: -0.416 local terms energy: -78.973206 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -16.896 flat angles P-C4'-P energy: -15.319 tors. eta vs tors. theta energy: -20.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -215.961401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.961401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.961401 (E_RNA) where: Base-Base interactions energy: -151.068 where: short stacking energy: -65.519 Base-Backbone interact. energy: -0.025 local terms energy: -64.868054 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -16.488 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -18.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -205.594322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.594322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.594322 (E_RNA) where: Base-Base interactions energy: -135.858 where: short stacking energy: -49.702 Base-Backbone interact. energy: -0.085 local terms energy: -69.650485 where: bonds (distance) C4'-P energy: -14.629 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -16.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -218.492598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.492598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.492598 (E_RNA) where: Base-Base interactions energy: -149.314 where: short stacking energy: -71.115 Base-Backbone interact. energy: -0.004 local terms energy: -69.174811 where: bonds (distance) C4'-P energy: -9.541 bonds (distance) P-C4' energy: -11.401 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -19.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -206.595196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.595196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.595196 (E_RNA) where: Base-Base interactions energy: -139.710 where: short stacking energy: -62.408 Base-Backbone interact. energy: -0.018 local terms energy: -66.867971 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -11.631 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: -19.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -198.290085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.290085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.290085 (E_RNA) where: Base-Base interactions energy: -130.460 where: short stacking energy: -56.462 Base-Backbone interact. energy: -0.357 local terms energy: -67.473668 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -16.567 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -11.729 tors. eta vs tors. theta energy: -15.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -80.699707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.699707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.699707 (E_RNA) where: Base-Base interactions energy: -31.659 where: short stacking energy: -27.113 Base-Backbone interact. energy: -0.012 local terms energy: -49.028939 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -4.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -81.696376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.696376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696376 (E_RNA) where: Base-Base interactions energy: -25.392 where: short stacking energy: -22.912 Base-Backbone interact. energy: -0.112 local terms energy: -56.192540 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -16.150 flat angles P-C4'-P energy: -10.362 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -84.791616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.791616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.791616 (E_RNA) where: Base-Base interactions energy: -32.870 where: short stacking energy: -28.738 Base-Backbone interact. energy: -0.215 local terms energy: -51.705831 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -15.906 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -78.180845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.180845 (E_RNA) where: Base-Base interactions energy: -27.463 where: short stacking energy: -26.818 Base-Backbone interact. energy: -0.574 local terms energy: -50.143698 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -11.657 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -217.468062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.468062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.468062 (E_RNA) where: Base-Base interactions energy: -144.265 where: short stacking energy: -68.421 Base-Backbone interact. energy: -3.102 local terms energy: -70.100579 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -14.989 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -20.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -218.456304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.456304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.456304 (E_RNA) where: Base-Base interactions energy: -140.840 where: short stacking energy: -63.868 Base-Backbone interact. energy: -0.050 local terms energy: -77.566015 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -16.585 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -12.300 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -211.092386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.092386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.092386 (E_RNA) where: Base-Base interactions energy: -142.852 where: short stacking energy: -54.365 Base-Backbone interact. energy: -0.190 local terms energy: -68.049768 where: bonds (distance) C4'-P energy: -11.398 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -16.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -213.709260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.709260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.709260 (E_RNA) where: Base-Base interactions energy: -138.843 where: short stacking energy: -62.234 Base-Backbone interact. energy: -1.483 local terms energy: -73.382923 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -17.620 flat angles P-C4'-P energy: -12.231 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: 5, replica: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -205.484111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.484111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.484111 (E_RNA) where: Base-Base interactions energy: -132.067 where: short stacking energy: -55.329 Base-Backbone interact. energy: -1.486 local terms energy: -71.931353 where: bonds (distance) C4'-P energy: -15.383 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -16.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -196.164943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.164943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.164943 (E_RNA) where: Base-Base interactions energy: -133.309 where: short stacking energy: -59.039 Base-Backbone interact. energy: -0.209 local terms energy: -62.647418 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -11.557 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -17.810 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: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -75.941712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.941712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.941712 (E_RNA) where: Base-Base interactions energy: -21.507 where: short stacking energy: -19.067 Base-Backbone interact. energy: -0.334 local terms energy: -54.101125 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -14.007 flat angles C4'-P-C4' energy: -9.787 flat angles P-C4'-P energy: -12.267 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -93.424722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.424722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.424722 (E_RNA) where: Base-Base interactions energy: -42.473 where: short stacking energy: -36.596 Base-Backbone interact. energy: -0.162 local terms energy: -50.789453 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -6.282 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: 4 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -72.197045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.197045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.197045 (E_RNA) where: Base-Base interactions energy: -22.375 where: short stacking energy: -22.375 Base-Backbone interact. energy: -1.082 local terms energy: -48.740258 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -13.027 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -72.520295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.520295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.520295 (E_RNA) where: Base-Base interactions energy: -30.130 where: short stacking energy: -30.130 Base-Backbone interact. energy: -1.091 local terms energy: -41.299587 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -3.853 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: 5 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -231.677195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.677195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.677195 (E_RNA) where: Base-Base interactions energy: -157.399 where: short stacking energy: -73.876 Base-Backbone interact. energy: -0.421 local terms energy: -73.857387 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -13.569 flat angles P-C4'-P energy: -13.564 tors. eta vs tors. theta energy: -20.783 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: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -208.312292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.312292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.312292 (E_RNA) where: Base-Base interactions energy: -134.220 where: short stacking energy: -62.262 Base-Backbone interact. energy: -0.018 local terms energy: -74.073499 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -17.638 flat angles P-C4'-P energy: -11.630 tors. eta vs tors. theta energy: -12.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -208.711657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.711657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.711657 (E_RNA) where: Base-Base interactions energy: -138.646 where: short stacking energy: -58.694 Base-Backbone interact. energy: -0.191 local terms energy: -69.874258 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -14.713 flat angles C4'-P-C4' energy: -17.982 flat angles P-C4'-P energy: -9.914 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: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -203.876365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.876365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.876365 (E_RNA) where: Base-Base interactions energy: -137.192 where: short stacking energy: -51.016 Base-Backbone interact. energy: -0.366 local terms energy: -66.318975 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -15.093 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: 2 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -212.590854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.590854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.590854 (E_RNA) where: Base-Base interactions energy: -135.306 where: short stacking energy: -59.638 Base-Backbone interact. energy: -0.000 local terms energy: -77.284798 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -15.699 flat angles P-C4'-P energy: -11.190 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: 6, replica: 3 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -196.743220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.743220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.743220 (E_RNA) where: Base-Base interactions energy: -128.593 where: short stacking energy: -53.171 Base-Backbone interact. energy: -0.047 local terms energy: -68.103807 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -11.672 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -104.225913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.225913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.225913 (E_RNA) where: Base-Base interactions energy: -51.688 where: short stacking energy: -21.273 Base-Backbone interact. energy: -0.234 local terms energy: -52.303858 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -11.427 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -96.371414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.371414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.371414 (E_RNA) where: Base-Base interactions energy: -55.434 where: short stacking energy: -21.401 Base-Backbone interact. energy: -0.212 local terms energy: -40.725224 where: bonds (distance) C4'-P energy: -11.606 bonds (distance) P-C4' energy: -14.112 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -7.796 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -75.316123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.316123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.316123 (E_RNA) where: Base-Base interactions energy: -28.401 where: short stacking energy: -28.401 Base-Backbone interact. energy: -1.167 local terms energy: -45.747905 where: bonds (distance) C4'-P energy: -9.047 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -7.871 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -67.939153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.939153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.939153 (E_RNA) where: Base-Base interactions energy: -23.376 where: short stacking energy: -16.376 Base-Backbone interact. energy: 0.276 local terms energy: -44.838381 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: 1.493 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: 5 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -219.852373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.852373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.852373 (E_RNA) where: Base-Base interactions energy: -144.529 where: short stacking energy: -71.380 Base-Backbone interact. energy: 0.169 local terms energy: -75.492302 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -10.589 flat angles C4'-P-C4' energy: -17.338 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -22.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -212.568392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.568392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.568392 (E_RNA) where: Base-Base interactions energy: -134.421 where: short stacking energy: -56.694 Base-Backbone interact. energy: -0.025 local terms energy: -78.122122 where: bonds (distance) C4'-P energy: -17.085 bonds (distance) P-C4' energy: -14.434 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -13.330 tors. eta vs tors. theta energy: -17.651 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: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -211.539814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.539814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.539814 (E_RNA) where: Base-Base interactions energy: -140.793 where: short stacking energy: -57.669 Base-Backbone interact. energy: -0.082 local terms energy: -70.664857 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -16.811 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: 4, replica: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -211.648017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.648017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.648017 (E_RNA) where: Base-Base interactions energy: -142.334 where: short stacking energy: -59.990 Base-Backbone interact. energy: -2.211 local terms energy: -67.102500 where: bonds (distance) C4'-P energy: -15.408 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -15.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -201.573916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.573916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.573916 (E_RNA) where: Base-Base interactions energy: -134.998 where: short stacking energy: -56.621 Base-Backbone interact. energy: -0.974 local terms energy: -65.600971 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -12.400 tors. eta vs tors. theta energy: -15.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -209.346205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.346205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.346205 (E_RNA) where: Base-Base interactions energy: -141.649 where: short stacking energy: -61.365 Base-Backbone interact. energy: 0.428 local terms energy: -68.125486 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -9.236 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -17.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -86.070032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.070032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.070032 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -27.553 Base-Backbone interact. energy: -0.416 local terms energy: -52.596995 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -14.444 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -8.698 tors. eta vs tors. theta energy: 0.264 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: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -81.773381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.773381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.773381 (E_RNA) where: Base-Base interactions energy: -40.216 where: short stacking energy: -33.621 Base-Backbone interact. energy: -0.102 local terms energy: -41.455483 where: bonds (distance) C4'-P energy: -7.481 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -10.347 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -5.725 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: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -87.165749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.165749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.165749 (E_RNA) where: Base-Base interactions energy: -34.288 where: short stacking energy: -34.288 Base-Backbone interact. energy: -0.080 local terms energy: -52.797787 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -71.211649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.211649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.211649 (E_RNA) where: Base-Base interactions energy: -16.513 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.079 local terms energy: -54.620087 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -219.966886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.966886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.966886 (E_RNA) where: Base-Base interactions energy: -148.525 where: short stacking energy: -66.306 Base-Backbone interact. energy: -0.047 local terms energy: -71.394734 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -16.244 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -9.821 tors. eta vs tors. theta energy: -16.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -208.258134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.258134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.258134 (E_RNA) where: Base-Base interactions energy: -139.386 where: short stacking energy: -65.354 Base-Backbone interact. energy: -0.046 local terms energy: -68.826858 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -16.329 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -15.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -219.270145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.270145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.270145 (E_RNA) where: Base-Base interactions energy: -148.973 where: short stacking energy: -58.217 Base-Backbone interact. energy: 0.064 local terms energy: -70.360725 where: bonds (distance) C4'-P energy: -12.015 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -17.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -205.781847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.781847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.781847 (E_RNA) where: Base-Base interactions energy: -140.464 where: short stacking energy: -58.764 Base-Backbone interact. energy: -0.005 local terms energy: -65.313375 where: bonds (distance) C4'-P energy: -5.831 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -12.467 tors. eta vs tors. theta energy: -19.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -207.967926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.967926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.967926 (E_RNA) where: Base-Base interactions energy: -140.640 where: short stacking energy: -61.478 Base-Backbone interact. energy: -0.006 local terms energy: -67.321797 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -17.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -183.747645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.747645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.747645 (E_RNA) where: Base-Base interactions energy: -121.974 where: short stacking energy: -53.885 Base-Backbone interact. energy: -0.092 local terms energy: -61.680983 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -11.435 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -136.732629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.732629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.732629 (E_RNA) where: Base-Base interactions energy: -82.724 where: short stacking energy: -53.033 Base-Backbone interact. energy: -0.021 local terms energy: -53.987649 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -11.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -76.975604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.975604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.975604 (E_RNA) where: Base-Base interactions energy: -27.894 where: short stacking energy: -27.894 Base-Backbone interact. energy: -0.030 local terms energy: -49.052071 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -74.008375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.008375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.008375 (E_RNA) where: Base-Base interactions energy: -26.285 where: short stacking energy: -25.428 Base-Backbone interact. energy: -0.145 local terms energy: -47.577851 where: bonds (distance) C4'-P energy: -9.724 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -73.604992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.604992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.604992 (E_RNA) where: Base-Base interactions energy: -32.099 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.125 local terms energy: -41.380539 where: bonds (distance) C4'-P energy: -7.725 bonds (distance) P-C4' energy: -16.065 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: 2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -215.746065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.746065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.746065 (E_RNA) where: Base-Base interactions energy: -138.442 where: short stacking energy: -57.623 Base-Backbone interact. energy: -0.106 local terms energy: -77.197878 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -16.503 flat angles C4'-P-C4' energy: -17.376 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -20.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -218.468558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.468558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.468558 (E_RNA) where: Base-Base interactions energy: -142.080 where: short stacking energy: -59.591 Base-Backbone interact. energy: 0.108 local terms energy: -76.496401 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -16.413 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -19.634 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: 189 Temperature: 1.000000 Total energy: -207.719221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.719221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.719221 (E_RNA) where: Base-Base interactions energy: -134.848 where: short stacking energy: -61.027 Base-Backbone interact. energy: -0.066 local terms energy: -72.804806 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -16.128 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: 3 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -212.935203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.935203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.935203 (E_RNA) where: Base-Base interactions energy: -144.464 where: short stacking energy: -65.028 Base-Backbone interact. energy: -0.026 local terms energy: -68.445746 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -19.307 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: 2 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -201.415062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.415062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.415062 (E_RNA) where: Base-Base interactions energy: -142.360 where: short stacking energy: -62.691 Base-Backbone interact. energy: -0.003 local terms energy: -59.052549 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -10.096 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -3.834 tors. eta vs tors. theta energy: -17.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -202.353399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.353399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.353399 (E_RNA) where: Base-Base interactions energy: -131.770 where: short stacking energy: -57.814 Base-Backbone interact. energy: -0.395 local terms energy: -70.188615 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -17.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -78.119140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.119140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.119140 (E_RNA) where: Base-Base interactions energy: -29.161 where: short stacking energy: -29.161 Base-Backbone interact. energy: -0.610 local terms energy: -48.348396 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -1.802 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: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -74.787461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.787461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.787461 (E_RNA) where: Base-Base interactions energy: -26.189 where: short stacking energy: -25.029 Base-Backbone interact. energy: -0.674 local terms energy: -47.924694 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -10.273 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -4.565 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: 4 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -80.365499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.365499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.365499 (E_RNA) where: Base-Base interactions energy: -40.231 where: short stacking energy: -30.963 Base-Backbone interact. energy: 0.178 local terms energy: -40.313259 where: bonds (distance) C4'-P energy: -9.331 bonds (distance) P-C4' energy: -9.986 flat angles C4'-P-C4' energy: -9.838 flat angles P-C4'-P energy: -6.918 tors. eta vs tors. theta energy: -4.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -70.757697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.757697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.757697 (E_RNA) where: Base-Base interactions energy: -21.149 where: short stacking energy: -20.391 Base-Backbone interact. energy: -0.277 local terms energy: -49.332265 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -5.414 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -214.439424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.439424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.439424 (E_RNA) where: Base-Base interactions energy: -139.145 where: short stacking energy: -61.072 Base-Backbone interact. energy: -0.803 local terms energy: -74.490836 where: bonds (distance) C4'-P energy: -15.355 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -16.307 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -18.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -215.276594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.276594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.276594 (E_RNA) where: Base-Base interactions energy: -137.748 where: short stacking energy: -64.171 Base-Backbone interact. energy: -0.160 local terms energy: -77.369003 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -16.507 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -20.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -212.158128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.158128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.158128 (E_RNA) where: Base-Base interactions energy: -142.996 where: short stacking energy: -58.934 Base-Backbone interact. energy: -0.010 local terms energy: -69.151411 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -12.177 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -16.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -213.723727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.723727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.723727 (E_RNA) where: Base-Base interactions energy: -142.498 where: short stacking energy: -67.785 Base-Backbone interact. energy: -0.079 local terms energy: -71.146595 where: bonds (distance) C4'-P energy: -10.683 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -10.119 tors. eta vs tors. theta energy: -20.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -192.988529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.988529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.988529 (E_RNA) where: Base-Base interactions energy: -129.034 where: short stacking energy: -58.136 Base-Backbone interact. energy: -1.299 local terms energy: -62.655414 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -14.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -197.942221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.942221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.942221 (E_RNA) where: Base-Base interactions energy: -130.666 where: short stacking energy: -58.412 Base-Backbone interact. energy: -0.150 local terms energy: -67.126331 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -19.385 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: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -86.630669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.630669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.630669 (E_RNA) where: Base-Base interactions energy: -44.456 where: short stacking energy: -28.207 Base-Backbone interact. energy: -0.108 local terms energy: -42.066637 where: bonds (distance) C4'-P energy: -8.983 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -9.959 flat angles P-C4'-P energy: -8.719 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -85.590175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.590175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.590175 (E_RNA) where: Base-Base interactions energy: -29.939 where: short stacking energy: -29.939 Base-Backbone interact. energy: -0.109 local terms energy: -55.541618 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -13.288 tors. eta vs tors. theta energy: -7.080 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: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -71.854860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.854860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.854860 (E_RNA) where: Base-Base interactions energy: -22.849 where: short stacking energy: -22.849 Base-Backbone interact. energy: -0.137 local terms energy: -48.868671 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -2.807 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: 8 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -89.017875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.017875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.017875 (E_RNA) where: Base-Base interactions energy: -35.438 where: short stacking energy: -35.438 Base-Backbone interact. energy: -0.012 local terms energy: -53.567959 where: bonds (distance) C4'-P energy: -15.037 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -222.226777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.226777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.226777 (E_RNA) where: Base-Base interactions energy: -141.918 where: short stacking energy: -71.479 Base-Backbone interact. energy: -1.109 local terms energy: -79.199260 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -17.586 flat angles P-C4'-P energy: -11.077 tors. eta vs tors. theta energy: -22.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -216.521879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.521879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.521879 (E_RNA) where: Base-Base interactions energy: -140.590 where: short stacking energy: -68.982 Base-Backbone interact. energy: -0.291 local terms energy: -75.640827 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -16.550 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -11.244 tors. eta vs tors. theta energy: -19.234 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -217.980155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.980155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.980155 (E_RNA) where: Base-Base interactions energy: -144.759 where: short stacking energy: -67.944 Base-Backbone interact. energy: -0.003 local terms energy: -73.219002 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -17.065 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -18.188 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: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -203.340227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.340227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.340227 (E_RNA) where: Base-Base interactions energy: -133.419 where: short stacking energy: -60.445 Base-Backbone interact. energy: -1.061 local terms energy: -68.859419 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -15.278 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -16.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -194.557161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.557161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.557161 (E_RNA) where: Base-Base interactions energy: -123.484 where: short stacking energy: -59.154 Base-Backbone interact. energy: -0.068 local terms energy: -71.005437 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -19.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -193.950503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.950503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.950503 (E_RNA) where: Base-Base interactions energy: -129.743 where: short stacking energy: -57.947 Base-Backbone interact. energy: -0.172 local terms energy: -64.035306 where: bonds (distance) C4'-P energy: -11.370 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -10.852 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -124.961009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.961009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.961009 (E_RNA) where: Base-Base interactions energy: -75.832 where: short stacking energy: -37.411 Base-Backbone interact. energy: -0.812 local terms energy: -48.317098 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -2.216 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -5.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -91.950619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.950619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.950619 (E_RNA) where: Base-Base interactions energy: -38.087 where: short stacking energy: -33.897 Base-Backbone interact. energy: -0.043 local terms energy: -53.820615 where: bonds (distance) C4'-P energy: -16.435 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -12.926 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -81.316738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.316738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.316738 (E_RNA) where: Base-Base interactions energy: -28.954 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.513 local terms energy: -51.850169 where: bonds (distance) C4'-P energy: -16.720 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -81.486245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.486245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.486245 (E_RNA) where: Base-Base interactions energy: -27.887 where: short stacking energy: -26.981 Base-Backbone interact. energy: 0.004 local terms energy: -53.603831 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -14.861 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -215.956487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.956487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.956487 (E_RNA) where: Base-Base interactions energy: -144.220 where: short stacking energy: -57.834 Base-Backbone interact. energy: -0.120 local terms energy: -71.616220 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -19.237 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: 192 Temperature: 0.950000 Total energy: -214.428834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.428834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.428834 (E_RNA) where: Base-Base interactions energy: -137.544 where: short stacking energy: -66.220 Base-Backbone interact. energy: -0.014 local terms energy: -76.871613 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -17.515 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -20.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -201.802127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.802127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.802127 (E_RNA) where: Base-Base interactions energy: -129.019 where: short stacking energy: -57.250 Base-Backbone interact. energy: -0.203 local terms energy: -72.580297 where: bonds (distance) C4'-P energy: -15.468 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -13.985 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: 3 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -213.461845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.461845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.461845 (E_RNA) where: Base-Base interactions energy: -150.194 where: short stacking energy: -59.595 Base-Backbone interact. energy: -0.102 local terms energy: -63.165832 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -15.829 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: 5, replica: 2 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -205.617315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.617315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.617315 (E_RNA) where: Base-Base interactions energy: -142.064 where: short stacking energy: -49.496 Base-Backbone interact. energy: -0.586 local terms energy: -62.967210 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -8.777 tors. eta vs tors. theta energy: -12.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -203.519629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.519629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.519629 (E_RNA) where: Base-Base interactions energy: -133.585 where: short stacking energy: -49.082 Base-Backbone interact. energy: -0.169 local terms energy: -69.765582 where: bonds (distance) C4'-P energy: -15.702 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -11.803 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -17.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -98.306993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.306993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.306993 (E_RNA) where: Base-Base interactions energy: -63.170 where: short stacking energy: -21.376 Base-Backbone interact. energy: 0.354 local terms energy: -35.490343 where: bonds (distance) C4'-P energy: -9.768 bonds (distance) P-C4' energy: -15.413 flat angles C4'-P-C4' energy: -2.285 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -87.552302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.552302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.552302 (E_RNA) where: Base-Base interactions energy: -32.601 where: short stacking energy: -24.313 Base-Backbone interact. energy: -0.160 local terms energy: -54.791400 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -12.409 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -9.330 tors. eta vs tors. theta energy: -5.569 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: 8 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -75.348769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.348769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.348769 (E_RNA) where: Base-Base interactions energy: -31.440 where: short stacking energy: -25.033 Base-Backbone interact. energy: -0.151 local terms energy: -43.757183 where: bonds (distance) C4'-P energy: -9.792 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -74.854756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.854756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.854756 (E_RNA) where: Base-Base interactions energy: -25.994 where: short stacking energy: -22.141 Base-Backbone interact. energy: -0.147 local terms energy: -48.713308 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -17.203 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -0.236 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: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -216.035306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.035306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.035306 (E_RNA) where: Base-Base interactions energy: -137.724 where: short stacking energy: -65.036 Base-Backbone interact. energy: -0.258 local terms energy: -78.053212 where: bonds (distance) C4'-P energy: -15.896 bonds (distance) P-C4' energy: -16.477 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -20.119 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: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -218.534357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.534357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.534357 (E_RNA) where: Base-Base interactions energy: -139.039 where: short stacking energy: -65.483 Base-Backbone interact. energy: -1.138 local terms energy: -78.356765 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -22.705 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: 3, replica: 5 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -208.472539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.472539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.472539 (E_RNA) where: Base-Base interactions energy: -143.701 where: short stacking energy: -51.710 Base-Backbone interact. energy: -0.094 local terms energy: -64.677638 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -8.356 tors. eta vs tors. theta energy: -14.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -203.688597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.688597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.688597 (E_RNA) where: Base-Base interactions energy: -139.250 where: short stacking energy: -50.602 Base-Backbone interact. energy: -0.302 local terms energy: -64.136001 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -13.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -209.580971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.580971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.580971 (E_RNA) where: Base-Base interactions energy: -142.243 where: short stacking energy: -55.467 Base-Backbone interact. energy: -0.275 local terms energy: -67.062844 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -11.538 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -206.399721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.399721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.399721 (E_RNA) where: Base-Base interactions energy: -131.504 where: short stacking energy: -62.408 Base-Backbone interact. energy: -0.645 local terms energy: -74.250563 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -11.524 tors. eta vs tors. theta energy: -20.339 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: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -98.403412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.403412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.403412 (E_RNA) where: Base-Base interactions energy: -45.583 where: short stacking energy: -29.675 Base-Backbone interact. energy: -0.052 local terms energy: -52.768439 where: bonds (distance) C4'-P energy: -10.948 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.216 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -7.628 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: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -77.512358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.512358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.512358 (E_RNA) where: Base-Base interactions energy: -30.509 where: short stacking energy: -25.245 Base-Backbone interact. energy: -1.203 local terms energy: -45.800545 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -11.119 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: -0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -77.113003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.113003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.113003 (E_RNA) where: Base-Base interactions energy: -28.108 where: short stacking energy: -27.241 Base-Backbone interact. energy: -0.003 local terms energy: -49.001825 where: bonds (distance) C4'-P energy: -9.698 bonds (distance) P-C4' energy: -14.173 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -9.581 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: 9 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -105.184015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.184015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.184015 (E_RNA) where: Base-Base interactions energy: -45.933 where: short stacking energy: -45.933 Base-Backbone interact. energy: -0.036 local terms energy: -59.214346 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -10.627 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -13.862 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: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -219.674478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.674478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.674478 (E_RNA) where: Base-Base interactions energy: -136.589 where: short stacking energy: -66.609 Base-Backbone interact. energy: -2.340 local terms energy: -80.745230 where: bonds (distance) C4'-P energy: -16.073 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -15.436 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -20.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -219.741709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.741709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.741709 (E_RNA) where: Base-Base interactions energy: -143.230 where: short stacking energy: -61.727 Base-Backbone interact. energy: -0.671 local terms energy: -75.840355 where: bonds (distance) C4'-P energy: -13.980 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -11.082 tors. eta vs tors. theta energy: -19.248 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: 3, replica: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -207.439438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.439438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.439438 (E_RNA) where: Base-Base interactions energy: -133.466 where: short stacking energy: -60.654 Base-Backbone interact. energy: -0.058 local terms energy: -73.915284 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -16.320 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -20.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -202.628298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.628298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.628298 (E_RNA) where: Base-Base interactions energy: -130.814 where: short stacking energy: -63.395 Base-Backbone interact. energy: -0.002 local terms energy: -71.812191 where: bonds (distance) C4'-P energy: -17.610 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -18.399 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: 5, replica: 1 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -197.637262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.637262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.637262 (E_RNA) where: Base-Base interactions energy: -126.051 where: short stacking energy: -60.223 Base-Backbone interact. energy: -0.003 local terms energy: -71.583403 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -15.787 flat angles P-C4'-P energy: -9.068 tors. eta vs tors. theta energy: -18.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -198.716288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.716288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.716288 (E_RNA) where: Base-Base interactions energy: -132.866 where: short stacking energy: -50.017 Base-Backbone interact. energy: -0.193 local terms energy: -65.658145 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -16.007 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -87.261121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.261121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.261121 (E_RNA) where: Base-Base interactions energy: -34.836 where: short stacking energy: -22.886 Base-Backbone interact. energy: -0.028 local terms energy: -52.397422 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -78.154259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.154259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.154259 (E_RNA) where: Base-Base interactions energy: -29.065 where: short stacking energy: -24.512 Base-Backbone interact. energy: 0.239 local terms energy: -49.328847 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: 2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -81.446896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.446896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.446896 (E_RNA) where: Base-Base interactions energy: -33.740 where: short stacking energy: -14.356 Base-Backbone interact. energy: -0.084 local terms energy: -47.623259 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -69.920943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.920943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.920943 (E_RNA) where: Base-Base interactions energy: -21.833 where: short stacking energy: -17.137 Base-Backbone interact. energy: -0.219 local terms energy: -47.868830 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -13.657 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -10.752 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -227.962319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.962319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.962319 (E_RNA) where: Base-Base interactions energy: -149.289 where: short stacking energy: -66.420 Base-Backbone interact. energy: -2.069 local terms energy: -76.605202 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -16.096 flat angles C4'-P-C4' energy: -16.918 flat angles P-C4'-P energy: -8.671 tors. eta vs tors. theta energy: -20.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -218.714258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.714258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.714258 (E_RNA) where: Base-Base interactions energy: -141.362 where: short stacking energy: -67.181 Base-Backbone interact. energy: -0.481 local terms energy: -76.871675 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -16.882 flat angles P-C4'-P energy: -11.152 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: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -216.179714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.179714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.179714 (E_RNA) where: Base-Base interactions energy: -141.966 where: short stacking energy: -62.925 Base-Backbone interact. energy: -3.550 local terms energy: -70.663339 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -12.268 flat angles C4'-P-C4' energy: -15.467 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -19.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -210.278785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.278785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.278785 (E_RNA) where: Base-Base interactions energy: -139.645 where: short stacking energy: -58.108 Base-Backbone interact. energy: -0.126 local terms energy: -70.507488 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -17.322 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: 195 Temperature: 1.100000 Total energy: -188.742253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.742253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.742253 (E_RNA) where: Base-Base interactions energy: -123.006 where: short stacking energy: -53.778 Base-Backbone interact. energy: -0.038 local terms energy: -65.697904 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -12.829 flat angles P-C4'-P energy: -11.130 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: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -198.087015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.087015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.087015 (E_RNA) where: Base-Base interactions energy: -131.140 where: short stacking energy: -60.223 Base-Backbone interact. energy: -0.002 local terms energy: -66.945382 where: bonds (distance) C4'-P energy: -13.163 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -19.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -81.313525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.313525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.313525 (E_RNA) where: Base-Base interactions energy: -24.503 where: short stacking energy: -24.430 Base-Backbone interact. energy: -0.020 local terms energy: -56.790507 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -13.539 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -84.901666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.901666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.901666 (E_RNA) where: Base-Base interactions energy: -34.176 where: short stacking energy: -34.176 Base-Backbone interact. energy: -0.063 local terms energy: -50.662890 where: bonds (distance) C4'-P energy: -6.782 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -8.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -67.146292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.146292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.146292 (E_RNA) where: Base-Base interactions energy: -29.127 where: short stacking energy: -24.768 Base-Backbone interact. energy: -0.126 local terms energy: -37.893848 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: 0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -69.679477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.679477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.679477 (E_RNA) where: Base-Base interactions energy: -29.614 where: short stacking energy: -20.577 Base-Backbone interact. energy: -2.039 local terms energy: -38.026449 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: 1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -215.778898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.778898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.778898 (E_RNA) where: Base-Base interactions energy: -138.612 where: short stacking energy: -67.823 Base-Backbone interact. energy: -0.594 local terms energy: -76.572644 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -22.490 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: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -220.947026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.947026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.947026 (E_RNA) where: Base-Base interactions energy: -151.238 where: short stacking energy: -63.783 Base-Backbone interact. energy: 0.061 local terms energy: -69.769345 where: bonds (distance) C4'-P energy: -15.168 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -17.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -210.562439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.562439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.562439 (E_RNA) where: Base-Base interactions energy: -143.012 where: short stacking energy: -60.294 Base-Backbone interact. energy: -0.106 local terms energy: -67.444412 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -13.314 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -19.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -201.193789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.193789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.193789 (E_RNA) where: Base-Base interactions energy: -129.432 where: short stacking energy: -62.299 Base-Backbone interact. energy: -0.023 local terms energy: -71.738928 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -11.572 tors. eta vs tors. theta energy: -17.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -195.786757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.786757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.786757 (E_RNA) where: Base-Base interactions energy: -132.951 where: short stacking energy: -52.297 Base-Backbone interact. energy: -0.589 local terms energy: -62.246732 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -15.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -189.558975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.558975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.558975 (E_RNA) where: Base-Base interactions energy: -125.617 where: short stacking energy: -57.504 Base-Backbone interact. energy: -1.130 local terms energy: -62.812235 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -11.876 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -17.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -81.480842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.480842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.480842 (E_RNA) where: Base-Base interactions energy: -35.533 where: short stacking energy: -32.492 Base-Backbone interact. energy: -0.147 local terms energy: -45.801159 where: bonds (distance) C4'-P energy: -8.822 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: -4.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -81.790529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.790529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.790529 (E_RNA) where: Base-Base interactions energy: -36.996 where: short stacking energy: -31.071 Base-Backbone interact. energy: -0.549 local terms energy: -44.245556 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -6.368 tors. eta vs tors. theta energy: 1.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -78.291331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.291331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.291331 (E_RNA) where: Base-Base interactions energy: -28.196 where: short stacking energy: -27.877 Base-Backbone interact. energy: -0.055 local terms energy: -50.040129 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -69.374266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.374266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.374266 (E_RNA) where: Base-Base interactions energy: -26.588 where: short stacking energy: -23.997 Base-Backbone interact. energy: -0.078 local terms energy: -42.707995 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.163 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -218.957131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.957131 (E_RNA) where: Base-Base interactions energy: -143.592 where: short stacking energy: -70.516 Base-Backbone interact. energy: -0.001 local terms energy: -75.363991 where: bonds (distance) C4'-P energy: -16.187 bonds (distance) P-C4' energy: -14.429 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -20.863 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: 1 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -206.475265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.475265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.475265 (E_RNA) where: Base-Base interactions energy: -131.565 where: short stacking energy: -61.128 Base-Backbone interact. energy: -0.010 local terms energy: -74.900622 where: bonds (distance) C4'-P energy: -15.851 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -10.523 tors. eta vs tors. theta energy: -16.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -214.238585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.238585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.238585 (E_RNA) where: Base-Base interactions energy: -155.063 where: short stacking energy: -66.934 Base-Backbone interact. energy: 2.155 local terms energy: -61.330082 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -9.967 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -217.858176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.858176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.858176 (E_RNA) where: Base-Base interactions energy: -155.483 where: short stacking energy: -69.731 Base-Backbone interact. energy: -0.024 local terms energy: -62.351552 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -202.540904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.540904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.540904 (E_RNA) where: Base-Base interactions energy: -133.901 where: short stacking energy: -66.828 Base-Backbone interact. energy: -0.002 local terms energy: -68.638110 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -9.481 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -17.847 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: 5 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -195.251442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.251442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.251442 (E_RNA) where: Base-Base interactions energy: -119.269 where: short stacking energy: -52.919 Base-Backbone interact. energy: -0.175 local terms energy: -75.808155 where: bonds (distance) C4'-P energy: -15.825 bonds (distance) P-C4' energy: -16.282 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -19.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -88.502508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.502508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.502508 (E_RNA) where: Base-Base interactions energy: -35.298 where: short stacking energy: -26.672 Base-Backbone interact. energy: -0.139 local terms energy: -53.065360 where: bonds (distance) C4'-P energy: -15.304 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -13.638 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -1.058 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: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -83.623989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.623989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.623989 (E_RNA) where: Base-Base interactions energy: -34.807 where: short stacking energy: -29.934 Base-Backbone interact. energy: -0.345 local terms energy: -48.471872 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -2.630 tors. eta vs tors. theta energy: -9.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -92.240368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.240368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.240368 (E_RNA) where: Base-Base interactions energy: -43.892 where: short stacking energy: -21.131 Base-Backbone interact. energy: -0.166 local terms energy: -48.182046 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -7.917 tors. eta vs tors. theta energy: 3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -63.825139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.825139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.825139 (E_RNA) where: Base-Base interactions energy: -17.215 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.136 local terms energy: -46.473842 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -9.680 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: 0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -230.190954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.190954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.190954 (E_RNA) where: Base-Base interactions energy: -151.513 where: short stacking energy: -63.406 Base-Backbone interact. energy: -0.807 local terms energy: -77.871228 where: bonds (distance) C4'-P energy: -15.476 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -217.868707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.868707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.868707 (E_RNA) where: Base-Base interactions energy: -137.647 where: short stacking energy: -63.888 Base-Backbone interact. energy: -0.115 local terms energy: -80.107281 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -12.854 tors. eta vs tors. theta energy: -22.159 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: 198 Temperature: 1.000000 Total energy: -212.555709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.555709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.555709 (E_RNA) where: Base-Base interactions energy: -142.279 where: short stacking energy: -55.024 Base-Backbone interact. energy: -0.001 local terms energy: -70.275187 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -16.626 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -15.960 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: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -201.605561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.605561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.605561 (E_RNA) where: Base-Base interactions energy: -129.825 where: short stacking energy: -57.541 Base-Backbone interact. energy: -0.084 local terms energy: -71.696498 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -11.804 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -208.460577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.460577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.460577 (E_RNA) where: Base-Base interactions energy: -134.047 where: short stacking energy: -61.875 Base-Backbone interact. energy: -2.963 local terms energy: -71.450413 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -13.284 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -20.098 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: 198 Temperature: 1.150000 Total energy: -193.555547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.555547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.555547 (E_RNA) where: Base-Base interactions energy: -124.576 where: short stacking energy: -57.120 Base-Backbone interact. energy: -0.016 local terms energy: -68.963225 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -16.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -133.419875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.419875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.419875 (E_RNA) where: Base-Base interactions energy: -78.444 where: short stacking energy: -38.540 Base-Backbone interact. energy: -0.155 local terms energy: -54.820822 where: bonds (distance) C4'-P energy: -9.267 bonds (distance) P-C4' energy: -10.796 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -8.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -100.824206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.824206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.824206 (E_RNA) where: Base-Base interactions energy: -59.040 where: short stacking energy: -34.542 Base-Backbone interact. energy: -0.180 local terms energy: -41.604071 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -0.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -77.890957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.890957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.890957 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -27.619 Base-Backbone interact. energy: -0.128 local terms energy: -49.719333 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -2.993 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: 10, replica: 4 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -70.535978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.535978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.535978 (E_RNA) where: Base-Base interactions energy: -32.706 where: short stacking energy: -13.303 Base-Backbone interact. energy: -0.219 local terms energy: -37.611083 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -10.526 flat angles C4'-P-C4' energy: -10.937 flat angles P-C4'-P energy: -6.188 tors. eta vs tors. theta energy: 2.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -225.289752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.289752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.289752 (E_RNA) where: Base-Base interactions energy: -150.600 where: short stacking energy: -64.742 Base-Backbone interact. energy: -0.043 local terms energy: -74.647339 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -12.688 flat angles C4'-P-C4' energy: -15.507 flat angles P-C4'-P energy: -13.180 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -204.570541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.570541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.570541 (E_RNA) where: Base-Base interactions energy: -137.758 where: short stacking energy: -64.106 Base-Backbone interact. energy: -0.876 local terms energy: -65.936788 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -16.612 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: 2 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -207.735206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.735206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.735206 (E_RNA) where: Base-Base interactions energy: -132.741 where: short stacking energy: -63.964 Base-Backbone interact. energy: -3.060 local terms energy: -71.934235 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -11.760 tors. eta vs tors. theta energy: -22.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -208.867792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.867792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.867792 (E_RNA) where: Base-Base interactions energy: -136.889 where: short stacking energy: -62.726 Base-Backbone interact. energy: -1.452 local terms energy: -70.527480 where: bonds (distance) C4'-P energy: -13.940 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -10.603 tors. eta vs tors. theta energy: -18.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -208.022631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.022631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.022631 (E_RNA) where: Base-Base interactions energy: -139.589 where: short stacking energy: -58.087 Base-Backbone interact. energy: 0.115 local terms energy: -68.548160 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -11.640 flat angles C4'-P-C4' energy: -17.960 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -16.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -193.492298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.492298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.492298 (E_RNA) where: Base-Base interactions energy: -129.004 where: short stacking energy: -45.380 Base-Backbone interact. energy: -0.696 local terms energy: -63.791766 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -12.069 tors. eta vs tors. theta energy: -15.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -133.662919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.662919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.662919 (E_RNA) where: Base-Base interactions energy: -72.702 where: short stacking energy: -36.453 Base-Backbone interact. energy: -0.031 local terms energy: -60.929697 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -14.935 flat angles P-C4'-P energy: -7.865 tors. eta vs tors. theta energy: -11.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -81.578347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.578347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.578347 (E_RNA) where: Base-Base interactions energy: -26.439 where: short stacking energy: -26.439 Base-Backbone interact. energy: -0.053 local terms energy: -55.086707 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -12.925 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -10.102 tors. eta vs tors. theta energy: -6.117 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: 9, replica: 8 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -80.230278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.230278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.230278 (E_RNA) where: Base-Base interactions energy: -28.355 where: short stacking energy: -28.248 Base-Backbone interact. energy: -0.093 local terms energy: -51.783070 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -7.653 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: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -67.785020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.785020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.785020 (E_RNA) where: Base-Base interactions energy: -23.376 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.475 local terms energy: -43.934175 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -13.805 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: 1.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -222.203536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.203536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.203536 (E_RNA) where: Base-Base interactions energy: -139.630 where: short stacking energy: -67.204 Base-Backbone interact. energy: -2.792 local terms energy: -79.781956 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -12.607 tors. eta vs tors. theta energy: -21.800 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: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -212.525426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.525426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.525426 (E_RNA) where: Base-Base interactions energy: -142.766 where: short stacking energy: -61.449 Base-Backbone interact. energy: -0.415 local terms energy: -69.344233 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -16.469 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -18.287 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: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -216.457671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.457671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.457671 (E_RNA) where: Base-Base interactions energy: -136.648 where: short stacking energy: -64.469 Base-Backbone interact. energy: -0.032 local terms energy: -79.777655 where: bonds (distance) C4'-P energy: -16.347 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -13.449 tors. eta vs tors. theta energy: -22.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -204.177997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.177997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.177997 (E_RNA) where: Base-Base interactions energy: -134.053 where: short stacking energy: -55.666 Base-Backbone interact. energy: -0.101 local terms energy: -70.024245 where: bonds (distance) C4'-P energy: -14.184 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -17.149 flat angles P-C4'-P energy: -10.015 tors. eta vs tors. theta energy: -17.207 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: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -201.138467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.138467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.138467 (E_RNA) where: Base-Base interactions energy: -130.502 where: short stacking energy: -55.980 Base-Backbone interact. energy: -0.001 local terms energy: -70.635665 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -16.585 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -19.900 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: 5 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -191.073050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.073050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.073050 (E_RNA) where: Base-Base interactions energy: -136.817 where: short stacking energy: -49.286 Base-Backbone interact. energy: -0.273 local terms energy: -53.982160 where: bonds (distance) C4'-P energy: -5.007 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -9.355 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: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -149.249810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.249810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.249810 (E_RNA) where: Base-Base interactions energy: -96.179 where: short stacking energy: -43.666 Base-Backbone interact. energy: -0.106 local terms energy: -52.965618 where: bonds (distance) C4'-P energy: -10.759 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -93.339383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.339383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.339383 (E_RNA) where: Base-Base interactions energy: -35.713 where: short stacking energy: -35.713 Base-Backbone interact. energy: -0.018 local terms energy: -57.608402 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -15.016 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -5.976 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: 9, replica: 4 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -80.446984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.446984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.446984 (E_RNA) where: Base-Base interactions energy: -36.252 where: short stacking energy: -23.428 Base-Backbone interact. energy: -0.135 local terms energy: -44.060178 where: bonds (distance) C4'-P energy: -9.600 bonds (distance) P-C4' energy: -16.872 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: 0.794 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: 8 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -72.458409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.458409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.458409 (E_RNA) where: Base-Base interactions energy: -20.696 where: short stacking energy: -20.696 Base-Backbone interact. energy: -0.117 local terms energy: -51.645586 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -11.660 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -3.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -223.570450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.570450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.570450 (E_RNA) where: Base-Base interactions energy: -149.976 where: short stacking energy: -66.941 Base-Backbone interact. energy: -0.000 local terms energy: -73.593469 where: bonds (distance) C4'-P energy: -13.577 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -19.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -220.480307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.480307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.480307 (E_RNA) where: Base-Base interactions energy: -145.803 where: short stacking energy: -73.668 Base-Backbone interact. energy: -1.573 local terms energy: -73.104359 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -12.004 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -21.856 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: 3, replica: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -203.973711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.973711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.973711 (E_RNA) where: Base-Base interactions energy: -132.423 where: short stacking energy: -51.198 Base-Backbone interact. energy: -0.024 local terms energy: -71.527291 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -13.349 tors. eta vs tors. theta energy: -13.727 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: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -204.512340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.512340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.512340 (E_RNA) where: Base-Base interactions energy: -129.122 where: short stacking energy: -58.304 Base-Backbone interact. energy: -0.103 local terms energy: -75.287195 where: bonds (distance) C4'-P energy: -11.825 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -11.410 tors. eta vs tors. theta energy: -20.149 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: 2 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -202.534614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.534614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.534614 (E_RNA) where: Base-Base interactions energy: -128.606 where: short stacking energy: -57.785 Base-Backbone interact. energy: -0.101 local terms energy: -73.827543 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -11.678 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -11.209 tors. eta vs tors. theta energy: -18.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -206.818709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.818709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.818709 (E_RNA) where: Base-Base interactions energy: -149.254 where: short stacking energy: -52.738 Base-Backbone interact. energy: -0.431 local terms energy: -57.133752 where: bonds (distance) C4'-P energy: -9.098 bonds (distance) P-C4' energy: -15.839 flat angles C4'-P-C4' energy: -11.104 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -10.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -176.627467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.627467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.627467 (E_RNA) where: Base-Base interactions energy: -112.927 where: short stacking energy: -47.436 Base-Backbone interact. energy: -0.042 local terms energy: -63.658891 where: bonds (distance) C4'-P energy: -6.601 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -15.304 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -15.127 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: 8, replica: 4 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -79.399107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.399107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.399107 (E_RNA) where: Base-Base interactions energy: -28.800 where: short stacking energy: -28.800 Base-Backbone interact. energy: -0.354 local terms energy: -50.245045 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -5.125 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -4.137 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: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -84.660632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.660632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.660632 (E_RNA) where: Base-Base interactions energy: -32.372 where: short stacking energy: -29.093 Base-Backbone interact. energy: -0.076 local terms energy: -52.213328 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -75.157941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.157941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.157941 (E_RNA) where: Base-Base interactions energy: -30.447 where: short stacking energy: -30.947 Base-Backbone interact. energy: -0.013 local terms energy: -44.698275 where: bonds (distance) C4'-P energy: -9.675 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -219.544500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.544500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.544500 (E_RNA) where: Base-Base interactions energy: -141.667 where: short stacking energy: -66.455 Base-Backbone interact. energy: -0.832 local terms energy: -77.045796 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -10.782 tors. eta vs tors. theta energy: -21.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -216.128581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.128581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.128581 (E_RNA) where: Base-Base interactions energy: -146.539 where: short stacking energy: -58.057 Base-Backbone interact. energy: 0.768 local terms energy: -70.358363 where: bonds (distance) C4'-P energy: -10.733 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.095 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -204.298687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.298687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.298687 (E_RNA) where: Base-Base interactions energy: -131.627 where: short stacking energy: -53.512 Base-Backbone interact. energy: -2.947 local terms energy: -69.724814 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -13.844 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -201.545559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.545559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.545559 (E_RNA) where: Base-Base interactions energy: -136.116 where: short stacking energy: -52.930 Base-Backbone interact. energy: -0.002 local terms energy: -65.428162 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -18.234 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: 5 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -208.414253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.414253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.414253 (E_RNA) where: Base-Base interactions energy: -152.723 where: short stacking energy: -53.845 Base-Backbone interact. energy: -0.235 local terms energy: -55.456537 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -13.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -214.502661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.502661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.502661 (E_RNA) where: Base-Base interactions energy: -145.848 where: short stacking energy: -57.463 Base-Backbone interact. energy: -1.542 local terms energy: -67.112840 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -15.005 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -19.140 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: 9 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -185.877023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.877023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.877023 (E_RNA) where: Base-Base interactions energy: -127.060 where: short stacking energy: -47.389 Base-Backbone interact. energy: -0.144 local terms energy: -58.673438 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -10.518 flat angles C4'-P-C4' energy: -9.342 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -16.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -82.690259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.690259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.690259 (E_RNA) where: Base-Base interactions energy: -32.332 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.162 local terms energy: -50.196393 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -14.858 flat angles C4'-P-C4' energy: -11.965 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -74.887335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.887335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.887335 (E_RNA) where: Base-Base interactions energy: -29.301 where: short stacking energy: -29.301 Base-Backbone interact. energy: -0.033 local terms energy: -45.553112 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -71.820434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.820434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.820434 (E_RNA) where: Base-Base interactions energy: -26.082 where: short stacking energy: -24.504 Base-Backbone interact. energy: 1.573 local terms energy: -47.310764 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -9.651 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: 3 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -227.067299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.067299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.067299 (E_RNA) where: Base-Base interactions energy: -152.459 where: short stacking energy: -64.025 Base-Backbone interact. energy: -0.010 local terms energy: -74.598612 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -14.983 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -13.386 tors. eta vs tors. theta energy: -17.108 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: 1 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -225.512696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.512696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.512696 (E_RNA) where: Base-Base interactions energy: -152.001 where: short stacking energy: -63.727 Base-Backbone interact. energy: -0.167 local terms energy: -73.343895 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -10.816 flat angles C4'-P-C4' energy: -17.297 flat angles P-C4'-P energy: -13.806 tors. eta vs tors. theta energy: -16.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -203.758101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.758101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.758101 (E_RNA) where: Base-Base interactions energy: -134.380 where: short stacking energy: -59.508 Base-Backbone interact. energy: -0.319 local terms energy: -69.058637 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -13.046 tors. eta vs tors. theta energy: -15.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -208.420647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.420647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.420647 (E_RNA) where: Base-Base interactions energy: -139.650 where: short stacking energy: -65.341 Base-Backbone interact. energy: -0.073 local terms energy: -68.697379 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -20.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -208.469215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.469215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.469215 (E_RNA) where: Base-Base interactions energy: -143.239 where: short stacking energy: -53.860 Base-Backbone interact. energy: -0.149 local terms energy: -65.081243 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -198.557213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.557213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.557213 (E_RNA) where: Base-Base interactions energy: -133.452 where: short stacking energy: -54.022 Base-Backbone interact. energy: -0.042 local terms energy: -65.063706 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -186.850605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.850605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.850605 (E_RNA) where: Base-Base interactions energy: -123.508 where: short stacking energy: -47.947 Base-Backbone interact. energy: -0.136 local terms energy: -63.205932 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -15.238 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -15.901 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: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -79.565904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.565904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.565904 (E_RNA) where: Base-Base interactions energy: -25.684 where: short stacking energy: -25.684 Base-Backbone interact. energy: -0.095 local terms energy: -53.786364 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -4.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -70.813147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.813147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.813147 (E_RNA) where: Base-Base interactions energy: -25.486 where: short stacking energy: -20.486 Base-Backbone interact. energy: 0.014 local terms energy: -45.341332 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: 0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -71.017807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.017807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.017807 (E_RNA) where: Base-Base interactions energy: -19.517 where: short stacking energy: -18.966 Base-Backbone interact. energy: -0.077 local terms energy: -51.422963 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -10.757 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -220.435437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.435437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.435437 (E_RNA) where: Base-Base interactions energy: -147.137 where: short stacking energy: -60.193 Base-Backbone interact. energy: -0.018 local terms energy: -73.280613 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -13.223 flat angles C4'-P-C4' energy: -16.740 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -17.206 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: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -224.110870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.110870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.110870 (E_RNA) where: Base-Base interactions energy: -159.098 where: short stacking energy: -64.844 Base-Backbone interact. energy: -0.007 local terms energy: -65.006574 where: bonds (distance) C4'-P energy: -9.508 bonds (distance) P-C4' energy: -12.816 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -17.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -205.588546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.588546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.588546 (E_RNA) where: Base-Base interactions energy: -135.404 where: short stacking energy: -55.200 Base-Backbone interact. energy: -0.700 local terms energy: -69.484300 where: bonds (distance) C4'-P energy: -10.952 bonds (distance) P-C4' energy: -12.506 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -12.306 tors. eta vs tors. theta energy: -17.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -211.828465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.828465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.828465 (E_RNA) where: Base-Base interactions energy: -138.239 where: short stacking energy: -62.512 Base-Backbone interact. energy: -0.238 local terms energy: -73.351035 where: bonds (distance) C4'-P energy: -15.387 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -9.001 tors. eta vs tors. theta energy: -17.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -203.805436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.805436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.805436 (E_RNA) where: Base-Base interactions energy: -133.924 where: short stacking energy: -59.953 Base-Backbone interact. energy: -0.001 local terms energy: -69.880880 where: bonds (distance) C4'-P energy: -11.689 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -19.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -192.076289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.076289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.076289 (E_RNA) where: Base-Base interactions energy: -129.977 where: short stacking energy: -51.668 Base-Backbone interact. energy: -0.053 local terms energy: -62.046189 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -15.066 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -15.280 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: 2 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -188.275415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.275415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.275415 (E_RNA) where: Base-Base interactions energy: -128.877 where: short stacking energy: -58.554 Base-Backbone interact. energy: -0.092 local terms energy: -59.306103 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -81.225836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.225836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.225836 (E_RNA) where: Base-Base interactions energy: -29.513 where: short stacking energy: -24.008 Base-Backbone interact. energy: -0.039 local terms energy: -51.673038 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -74.360835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.360835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.360835 (E_RNA) where: Base-Base interactions energy: -26.985 where: short stacking energy: -13.319 Base-Backbone interact. energy: -0.208 local terms energy: -47.168549 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -10.745 flat angles P-C4'-P energy: -7.397 tors. eta vs tors. theta energy: 0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -73.212904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.212904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.212904 (E_RNA) where: Base-Base interactions energy: -27.415 where: short stacking energy: -25.213 Base-Backbone interact. energy: -0.095 local terms energy: -45.703665 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -0.489 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: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -227.277612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.277612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.277612 (E_RNA) where: Base-Base interactions energy: -158.613 where: short stacking energy: -70.214 Base-Backbone interact. energy: 2.306 local terms energy: -70.970902 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -13.092 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -218.383916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.383916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.383916 (E_RNA) where: Base-Base interactions energy: -141.928 where: short stacking energy: -67.289 Base-Backbone interact. energy: -0.798 local terms energy: -75.658784 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -21.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -213.946297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.946297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.946297 (E_RNA) where: Base-Base interactions energy: -140.070 where: short stacking energy: -66.515 Base-Backbone interact. energy: -0.003 local terms energy: -73.873592 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -16.645 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -207.480772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.480772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.480772 (E_RNA) where: Base-Base interactions energy: -138.706 where: short stacking energy: -57.179 Base-Backbone interact. energy: -0.000 local terms energy: -68.775009 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -8.584 tors. eta vs tors. theta energy: -16.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -203.665446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.665446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.665446 (E_RNA) where: Base-Base interactions energy: -137.590 where: short stacking energy: -62.216 Base-Backbone interact. energy: -0.542 local terms energy: -65.533361 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -14.899 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -19.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -198.856104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.856104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.856104 (E_RNA) where: Base-Base interactions energy: -135.665 where: short stacking energy: -63.330 Base-Backbone interact. energy: -0.548 local terms energy: -62.643263 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -9.086 flat angles P-C4'-P energy: -9.220 tors. eta vs tors. theta energy: -21.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -190.010516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.010516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.010516 (E_RNA) where: Base-Base interactions energy: -123.038 where: short stacking energy: -54.162 Base-Backbone interact. energy: -0.045 local terms energy: -66.927928 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -17.313 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -77.935959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.935959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.935959 (E_RNA) where: Base-Base interactions energy: -37.541 where: short stacking energy: -25.138 Base-Backbone interact. energy: 3.556 local terms energy: -43.950952 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -13.378 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -76.214860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.214860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.214860 (E_RNA) where: Base-Base interactions energy: -29.296 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.183 local terms energy: -46.736208 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -11.375 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -7.640 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -62.427903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.427903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.427903 (E_RNA) where: Base-Base interactions energy: -22.142 where: short stacking energy: -21.003 Base-Backbone interact. energy: -0.616 local terms energy: -39.670215 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: 0.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -223.279698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.279698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.279698 (E_RNA) where: Base-Base interactions energy: -139.940 where: short stacking energy: -60.701 Base-Backbone interact. energy: -0.007 local terms energy: -83.332554 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -17.631 flat angles P-C4'-P energy: -12.666 tors. eta vs tors. theta energy: -21.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -215.226553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.226553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.226553 (E_RNA) where: Base-Base interactions energy: -150.709 where: short stacking energy: -59.443 Base-Backbone interact. energy: -0.022 local terms energy: -64.496104 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -13.406 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -16.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -215.720904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.720904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.720904 (E_RNA) where: Base-Base interactions energy: -142.229 where: short stacking energy: -63.907 Base-Backbone interact. energy: -0.123 local terms energy: -73.368709 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -18.590 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: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -212.297411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.297411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.297411 (E_RNA) where: Base-Base interactions energy: -143.123 where: short stacking energy: -62.036 Base-Backbone interact. energy: -0.001 local terms energy: -69.173825 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -17.649 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -20.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -201.178721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.178721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.178721 (E_RNA) where: Base-Base interactions energy: -135.516 where: short stacking energy: -61.440 Base-Backbone interact. energy: -0.064 local terms energy: -65.598194 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -11.617 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -18.377 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: 6 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -201.363079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.363079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.363079 (E_RNA) where: Base-Base interactions energy: -133.875 where: short stacking energy: -61.401 Base-Backbone interact. energy: -0.060 local terms energy: -67.428039 where: bonds (distance) C4'-P energy: -10.767 bonds (distance) P-C4' energy: -15.673 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -191.864273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.864273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.864273 (E_RNA) where: Base-Base interactions energy: -131.217 where: short stacking energy: -53.296 Base-Backbone interact. energy: -0.069 local terms energy: -60.578367 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -8.877 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -72.320374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.320374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.320374 (E_RNA) where: Base-Base interactions energy: -19.624 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.072 local terms energy: -52.623762 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -12.409 tors. eta vs tors. theta energy: -5.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -76.133785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.133785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.133785 (E_RNA) where: Base-Base interactions energy: -21.910 where: short stacking energy: -21.910 Base-Backbone interact. energy: -0.841 local terms energy: -53.382887 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -76.576238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.576238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.576238 (E_RNA) where: Base-Base interactions energy: -27.855 where: short stacking energy: -25.533 Base-Backbone interact. energy: -0.037 local terms energy: -48.684325 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -3.335 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: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -227.270168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.270168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.270168 (E_RNA) where: Base-Base interactions energy: -150.845 where: short stacking energy: -59.054 Base-Backbone interact. energy: -0.006 local terms energy: -76.418554 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -16.756 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -18.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -217.128718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.128718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.128718 (E_RNA) where: Base-Base interactions energy: -144.798 where: short stacking energy: -69.453 Base-Backbone interact. energy: -0.003 local terms energy: -72.328186 where: bonds (distance) C4'-P energy: -12.149 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -20.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -209.971533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.971533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.971533 (E_RNA) where: Base-Base interactions energy: -141.359 where: short stacking energy: -66.128 Base-Backbone interact. energy: -0.384 local terms energy: -68.228936 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -10.423 tors. eta vs tors. theta energy: -18.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -207.655383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.655383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.655383 (E_RNA) where: Base-Base interactions energy: -135.022 where: short stacking energy: -67.172 Base-Backbone interact. energy: -0.430 local terms energy: -72.203746 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -12.349 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -21.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -197.211459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.211459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.211459 (E_RNA) where: Base-Base interactions energy: -131.288 where: short stacking energy: -61.971 Base-Backbone interact. energy: -1.011 local terms energy: -64.912383 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -17.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -201.776415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.776415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.776415 (E_RNA) where: Base-Base interactions energy: -141.780 where: short stacking energy: -63.702 Base-Backbone interact. energy: 2.540 local terms energy: -62.536969 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -11.480 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -8.065 tors. eta vs tors. theta energy: -17.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -196.669430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.669430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.669430 (E_RNA) where: Base-Base interactions energy: -131.070 where: short stacking energy: -53.467 Base-Backbone interact. energy: -0.052 local terms energy: -65.548028 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -15.726 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: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -80.349268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.349268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.349268 (E_RNA) where: Base-Base interactions energy: -30.412 where: short stacking energy: -30.306 Base-Backbone interact. energy: -0.254 local terms energy: -49.682558 where: bonds (distance) C4'-P energy: -8.295 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -76.441703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.441703 (E_RNA) where: Base-Base interactions energy: -37.918 where: short stacking energy: -29.359 Base-Backbone interact. energy: -0.198 local terms energy: -38.325748 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -11.038 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -0.194 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: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -73.919219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.919219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.919219 (E_RNA) where: Base-Base interactions energy: -26.714 where: short stacking energy: -26.714 Base-Backbone interact. energy: -0.224 local terms energy: -46.981005 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -13.754 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -5.214 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: 5 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -211.498768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.498768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.498768 (E_RNA) where: Base-Base interactions energy: -135.012 where: short stacking energy: -61.980 Base-Backbone interact. energy: -0.572 local terms energy: -75.914743 where: bonds (distance) C4'-P energy: -17.949 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -16.571 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: 10 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -213.996576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.996576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.996576 (E_RNA) where: Base-Base interactions energy: -138.500 where: short stacking energy: -68.168 Base-Backbone interact. energy: -0.281 local terms energy: -75.214995 where: bonds (distance) C4'-P energy: -11.106 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.709 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -21.819 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: 3, replica: 2 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -218.164421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.164421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.164421 (E_RNA) where: Base-Base interactions energy: -147.433 where: short stacking energy: -73.356 Base-Backbone interact. energy: -0.002 local terms energy: -70.729950 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -20.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -205.448348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.448348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.448348 (E_RNA) where: Base-Base interactions energy: -140.343 where: short stacking energy: -66.687 Base-Backbone interact. energy: -0.414 local terms energy: -64.691090 where: bonds (distance) C4'-P energy: -9.475 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -19.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -197.174257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.174257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.174257 (E_RNA) where: Base-Base interactions energy: -134.615 where: short stacking energy: -54.207 Base-Backbone interact. energy: -0.115 local terms energy: -62.444140 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -13.056 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: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -194.403944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.403944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.403944 (E_RNA) where: Base-Base interactions energy: -127.672 where: short stacking energy: -59.424 Base-Backbone interact. energy: -0.569 local terms energy: -66.162959 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -11.772 tors. eta vs tors. theta energy: -17.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -196.267261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.267261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.267261 (E_RNA) where: Base-Base interactions energy: -138.392 where: short stacking energy: -62.561 Base-Backbone interact. energy: -0.448 local terms energy: -57.426617 where: bonds (distance) C4'-P energy: -9.460 bonds (distance) P-C4' energy: -11.799 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -13.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -88.549681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.549681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.549681 (E_RNA) where: Base-Base interactions energy: -38.465 where: short stacking energy: -38.465 Base-Backbone interact. energy: -0.406 local terms energy: -49.678261 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -9.891 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -6.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -85.859637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.859637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.859637 (E_RNA) where: Base-Base interactions energy: -39.233 where: short stacking energy: -26.901 Base-Backbone interact. energy: -0.064 local terms energy: -46.562401 where: bonds (distance) C4'-P energy: -10.751 bonds (distance) P-C4' energy: -16.555 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -1.387 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: 4 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -79.284144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.284144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.284144 (E_RNA) where: Base-Base interactions energy: -31.813 where: short stacking energy: -21.679 Base-Backbone interact. energy: -0.208 local terms energy: -47.263370 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -11.416 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -221.605308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.605308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.605308 (E_RNA) where: Base-Base interactions energy: -147.195 where: short stacking energy: -63.856 Base-Backbone interact. energy: -0.031 local terms energy: -74.379120 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -15.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -209.312019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.312019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.312019 (E_RNA) where: Base-Base interactions energy: -144.252 where: short stacking energy: -57.767 Base-Backbone interact. energy: 0.936 local terms energy: -65.995757 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -219.793299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.793299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.793299 (E_RNA) where: Base-Base interactions energy: -141.628 where: short stacking energy: -63.723 Base-Backbone interact. energy: -0.001 local terms energy: -78.163416 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -10.406 tors. eta vs tors. theta energy: -21.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -208.546652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.546652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.546652 (E_RNA) where: Base-Base interactions energy: -139.822 where: short stacking energy: -66.977 Base-Backbone interact. energy: -0.050 local terms energy: -68.674395 where: bonds (distance) C4'-P energy: -11.110 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -18.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -201.193395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.193395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.193395 (E_RNA) where: Base-Base interactions energy: -128.454 where: short stacking energy: -55.797 Base-Backbone interact. energy: -0.569 local terms energy: -72.170435 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -16.389 flat angles P-C4'-P energy: -13.007 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -199.503982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.503982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.503982 (E_RNA) where: Base-Base interactions energy: -129.912 where: short stacking energy: -56.016 Base-Backbone interact. energy: -0.174 local terms energy: -69.418129 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -12.336 tors. eta vs tors. theta energy: -15.513 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: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -193.958719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.958719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.958719 (E_RNA) where: Base-Base interactions energy: -133.471 where: short stacking energy: -46.024 Base-Backbone interact. energy: 0.234 local terms energy: -60.720869 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -12.308 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: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -71.987355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.987355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.987355 (E_RNA) where: Base-Base interactions energy: -26.081 where: short stacking energy: -19.406 Base-Backbone interact. energy: -0.988 local terms energy: -44.917934 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -7.635 tors. eta vs tors. theta energy: 2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -81.939329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.939329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.939329 (E_RNA) where: Base-Base interactions energy: -31.481 where: short stacking energy: -31.231 Base-Backbone interact. energy: -0.007 local terms energy: -50.451506 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -11.881 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -7.944 tors. eta vs tors. theta energy: -7.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -73.571193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.571193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.571193 (E_RNA) where: Base-Base interactions energy: -27.092 where: short stacking energy: -18.530 Base-Backbone interact. energy: -0.064 local terms energy: -46.414772 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -10.339 flat angles P-C4'-P energy: -10.170 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: 5 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -220.023736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.023736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.023736 (E_RNA) where: Base-Base interactions energy: -142.222 where: short stacking energy: -66.988 Base-Backbone interact. energy: -2.203 local terms energy: -75.598612 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -13.897 tors. eta vs tors. theta energy: -18.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -210.475780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.475780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.475780 (E_RNA) where: Base-Base interactions energy: -141.757 where: short stacking energy: -61.523 Base-Backbone interact. energy: -0.109 local terms energy: -68.609393 where: bonds (distance) C4'-P energy: -15.238 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -10.436 tors. eta vs tors. theta energy: -17.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -216.303861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.303861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.303861 (E_RNA) where: Base-Base interactions energy: -141.501 where: short stacking energy: -65.450 Base-Backbone interact. energy: -0.956 local terms energy: -73.846558 where: bonds (distance) C4'-P energy: -11.476 bonds (distance) P-C4' energy: -15.673 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -12.480 tors. eta vs tors. theta energy: -17.803 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: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -208.258789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.258789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.258789 (E_RNA) where: Base-Base interactions energy: -136.639 where: short stacking energy: -62.227 Base-Backbone interact. energy: -0.011 local terms energy: -71.609153 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -207.768204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.768204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.768204 (E_RNA) where: Base-Base interactions energy: -148.402 where: short stacking energy: -59.151 Base-Backbone interact. energy: -0.022 local terms energy: -59.344237 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -8.066 flat angles C4'-P-C4' energy: -14.722 flat angles P-C4'-P energy: -10.697 tors. eta vs tors. theta energy: -15.459 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: 9 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -196.996354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.996354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.996354 (E_RNA) where: Base-Base interactions energy: -128.863 where: short stacking energy: -55.568 Base-Backbone interact. energy: -0.014 local terms energy: -68.120208 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -199.988154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.988154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.988154 (E_RNA) where: Base-Base interactions energy: -133.498 where: short stacking energy: -57.687 Base-Backbone interact. energy: -1.754 local terms energy: -64.736116 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -18.628 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: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -82.034623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.034623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.034623 (E_RNA) where: Base-Base interactions energy: -32.117 where: short stacking energy: -31.957 Base-Backbone interact. energy: 0.027 local terms energy: -49.944529 where: bonds (distance) C4'-P energy: -12.132 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -3.259 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: 4 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -103.173219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.173219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.173219 (E_RNA) where: Base-Base interactions energy: -44.370 where: short stacking energy: -32.827 Base-Backbone interact. energy: -0.185 local terms energy: -58.618822 where: bonds (distance) C4'-P energy: -16.377 bonds (distance) P-C4' energy: -12.677 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -8.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -67.728238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.728238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.728238 (E_RNA) where: Base-Base interactions energy: -20.967 where: short stacking energy: -20.610 Base-Backbone interact. energy: -0.903 local terms energy: -45.858094 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -7.085 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -11.743 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -213.514855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.514855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.514855 (E_RNA) where: Base-Base interactions energy: -138.482 where: short stacking energy: -57.583 Base-Backbone interact. energy: -0.059 local terms energy: -74.974155 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -16.512 flat angles P-C4'-P energy: -12.837 tors. eta vs tors. theta energy: -17.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -218.428993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.428993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.428993 (E_RNA) where: Base-Base interactions energy: -142.659 where: short stacking energy: -64.526 Base-Backbone interact. energy: -0.696 local terms energy: -75.073787 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -21.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -207.119376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.119376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.119376 (E_RNA) where: Base-Base interactions energy: -133.595 where: short stacking energy: -59.491 Base-Backbone interact. energy: -0.009 local terms energy: -73.515003 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -205.086900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.086900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.086900 (E_RNA) where: Base-Base interactions energy: -131.902 where: short stacking energy: -54.673 Base-Backbone interact. energy: 1.198 local terms energy: -74.382486 where: bonds (distance) C4'-P energy: -16.600 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -17.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -204.404358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.404358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.404358 (E_RNA) where: Base-Base interactions energy: -142.012 where: short stacking energy: -68.443 Base-Backbone interact. energy: 0.298 local terms energy: -62.691245 where: bonds (distance) C4'-P energy: -8.052 bonds (distance) P-C4' energy: -13.756 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -18.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -196.675519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.675519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.675519 (E_RNA) where: Base-Base interactions energy: -129.037 where: short stacking energy: -59.025 Base-Backbone interact. energy: -0.658 local terms energy: -66.980555 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -10.586 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -16.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -197.527636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.527636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.527636 (E_RNA) where: Base-Base interactions energy: -129.418 where: short stacking energy: -51.926 Base-Backbone interact. energy: -0.966 local terms energy: -67.143818 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -17.220 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -17.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -83.112121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.112121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.112121 (E_RNA) where: Base-Base interactions energy: -34.508 where: short stacking energy: -34.508 Base-Backbone interact. energy: -0.060 local terms energy: -48.544195 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -13.689 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -5.828 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: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -70.771625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.771625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.771625 (E_RNA) where: Base-Base interactions energy: -26.334 where: short stacking energy: -23.954 Base-Backbone interact. energy: -0.270 local terms energy: -44.167977 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -6.673 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -82.521751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.521751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.521751 (E_RNA) where: Base-Base interactions energy: -35.062 where: short stacking energy: -25.222 Base-Backbone interact. energy: -0.035 local terms energy: -47.424403 where: bonds (distance) C4'-P energy: -11.546 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -13.758 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -5.391 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: 1, replica: 5 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -217.272033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.272033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.272033 (E_RNA) where: Base-Base interactions energy: -142.257 where: short stacking energy: -70.435 Base-Backbone interact. energy: -0.015 local terms energy: -74.999996 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -216.376372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.376372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.376372 (E_RNA) where: Base-Base interactions energy: -140.816 where: short stacking energy: -61.591 Base-Backbone interact. energy: -2.305 local terms energy: -73.255350 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -12.422 flat angles C4'-P-C4' energy: -16.317 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -17.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -206.089061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.089061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.089061 (E_RNA) where: Base-Base interactions energy: -129.993 where: short stacking energy: -58.664 Base-Backbone interact. energy: -0.097 local terms energy: -75.999839 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -16.836 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -20.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -205.353993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.353993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.353993 (E_RNA) where: Base-Base interactions energy: -137.772 where: short stacking energy: -56.450 Base-Backbone interact. energy: -0.116 local terms energy: -67.465463 where: bonds (distance) C4'-P energy: -14.827 bonds (distance) P-C4' energy: -13.465 flat angles C4'-P-C4' energy: -11.797 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -206.700144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.700144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.700144 (E_RNA) where: Base-Base interactions energy: -137.630 where: short stacking energy: -66.386 Base-Backbone interact. energy: -0.045 local terms energy: -69.025183 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -12.122 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -20.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -199.068038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.068038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.068038 (E_RNA) where: Base-Base interactions energy: -131.777 where: short stacking energy: -47.568 Base-Backbone interact. energy: -0.027 local terms energy: -67.263719 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -13.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -182.931389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.931389 (E_RNA) where: Base-Base interactions energy: -117.753 where: short stacking energy: -48.140 Base-Backbone interact. energy: -0.002 local terms energy: -65.175619 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -7.569 tors. eta vs tors. theta energy: -18.324 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: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -84.817861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.817861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.817861 (E_RNA) where: Base-Base interactions energy: -33.546 where: short stacking energy: -31.199 Base-Backbone interact. energy: -0.544 local terms energy: -50.727873 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -2.419 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: 7 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -78.436561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.436561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.436561 (E_RNA) where: Base-Base interactions energy: -46.889 where: short stacking energy: -27.230 Base-Backbone interact. energy: 0.777 local terms energy: -32.324818 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: 1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -67.418710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.418710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.418710 (E_RNA) where: Base-Base interactions energy: -21.907 where: short stacking energy: -19.756 Base-Backbone interact. energy: -0.142 local terms energy: -45.369353 where: bonds (distance) C4'-P energy: -10.698 bonds (distance) P-C4' energy: -12.227 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -4.134 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: 5 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -226.436622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.436622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.436622 (E_RNA) where: Base-Base interactions energy: -151.470 where: short stacking energy: -69.697 Base-Backbone interact. energy: -0.013 local terms energy: -74.953538 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -16.996 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: -18.739 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: 2 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -202.295411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.295411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.295411 (E_RNA) where: Base-Base interactions energy: -133.009 where: short stacking energy: -57.613 Base-Backbone interact. energy: -0.766 local terms energy: -68.520530 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -12.499 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -13.741 tors. eta vs tors. theta energy: -15.571 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: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -208.820403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.820403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.820403 (E_RNA) where: Base-Base interactions energy: -132.503 where: short stacking energy: -63.562 Base-Backbone interact. energy: -0.001 local terms energy: -76.316856 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -17.766 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -20.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -206.019547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.019547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.019547 (E_RNA) where: Base-Base interactions energy: -137.228 where: short stacking energy: -65.863 Base-Backbone interact. energy: -0.045 local terms energy: -68.746455 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -11.235 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -20.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -196.259879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.259879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.259879 (E_RNA) where: Base-Base interactions energy: -133.478 where: short stacking energy: -59.956 Base-Backbone interact. energy: -0.014 local terms energy: -62.767780 where: bonds (distance) C4'-P energy: -8.906 bonds (distance) P-C4' energy: -17.320 flat angles C4'-P-C4' energy: -10.182 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -20.529 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: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -193.296534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.296534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.296534 (E_RNA) where: Base-Base interactions energy: -127.545 where: short stacking energy: -51.866 Base-Backbone interact. energy: -0.978 local terms energy: -64.773159 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -15.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -188.822509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.822509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.822509 (E_RNA) where: Base-Base interactions energy: -131.000 where: short stacking energy: -62.879 Base-Backbone interact. energy: -0.160 local terms energy: -57.662630 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -16.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -80.416399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.416399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.416399 (E_RNA) where: Base-Base interactions energy: -27.658 where: short stacking energy: -27.658 Base-Backbone interact. energy: 2.234 local terms energy: -54.992423 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -9.262 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: 4 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -75.313911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.313911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.313911 (E_RNA) where: Base-Base interactions energy: -31.985 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.334 local terms energy: -42.994042 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -5.143 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -75.593020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.593020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.593020 (E_RNA) where: Base-Base interactions energy: -26.841 where: short stacking energy: -23.269 Base-Backbone interact. energy: -0.270 local terms energy: -48.482695 where: bonds (distance) C4'-P energy: -16.517 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -2.772 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: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -213.902178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.902178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.902178 (E_RNA) where: Base-Base interactions energy: -141.077 where: short stacking energy: -68.805 Base-Backbone interact. energy: -0.010 local terms energy: -72.815004 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -19.202 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: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -222.017855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.017855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.017855 (E_RNA) where: Base-Base interactions energy: -148.725 where: short stacking energy: -64.812 Base-Backbone interact. energy: -2.636 local terms energy: -70.657269 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -18.787 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: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -209.868011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.868011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.868011 (E_RNA) where: Base-Base interactions energy: -135.175 where: short stacking energy: -61.296 Base-Backbone interact. energy: -0.042 local terms energy: -74.650991 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -21.246 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: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -198.047952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.047952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.047952 (E_RNA) where: Base-Base interactions energy: -136.048 where: short stacking energy: -52.284 Base-Backbone interact. energy: -0.991 local terms energy: -61.009091 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -13.537 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: 9 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -195.313002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.313002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.313002 (E_RNA) where: Base-Base interactions energy: -128.163 where: short stacking energy: -55.259 Base-Backbone interact. energy: -0.040 local terms energy: -67.109604 where: bonds (distance) C4'-P energy: -8.969 bonds (distance) P-C4' energy: -15.186 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -12.583 tors. eta vs tors. theta energy: -13.712 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: 10 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -203.897280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.897280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.897280 (E_RNA) where: Base-Base interactions energy: -140.946 where: short stacking energy: -64.484 Base-Backbone interact. energy: -0.015 local terms energy: -62.935614 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -11.442 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -18.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -190.555372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.555372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.555372 (E_RNA) where: Base-Base interactions energy: -127.628 where: short stacking energy: -58.736 Base-Backbone interact. energy: -0.509 local terms energy: -62.417604 where: bonds (distance) C4'-P energy: -15.011 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -16.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -80.055483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.055483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.055483 (E_RNA) where: Base-Base interactions energy: -35.401 where: short stacking energy: -33.281 Base-Backbone interact. energy: -0.184 local terms energy: -44.470906 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -13.721 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: 2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -74.119256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.119256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.119256 (E_RNA) where: Base-Base interactions energy: -24.806 where: short stacking energy: -21.752 Base-Backbone interact. energy: -0.203 local terms energy: -49.110614 where: bonds (distance) C4'-P energy: -16.099 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -8.781 tors. eta vs tors. theta energy: 3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -68.509962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.509962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.509962 (E_RNA) where: Base-Base interactions energy: -26.159 where: short stacking energy: -22.992 Base-Backbone interact. energy: -0.083 local terms energy: -42.267662 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -0.585 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: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -215.456531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.456531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.456531 (E_RNA) where: Base-Base interactions energy: -139.242 where: short stacking energy: -62.363 Base-Backbone interact. energy: -0.190 local terms energy: -76.024488 where: bonds (distance) C4'-P energy: -15.872 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -19.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -220.383903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.383903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.383903 (E_RNA) where: Base-Base interactions energy: -148.145 where: short stacking energy: -63.099 Base-Backbone interact. energy: -0.088 local terms energy: -72.150891 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -18.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -213.618897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.618897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.618897 (E_RNA) where: Base-Base interactions energy: -142.353 where: short stacking energy: -62.831 Base-Backbone interact. energy: -0.031 local terms energy: -71.235042 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -18.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -213.248117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.248117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.248117 (E_RNA) where: Base-Base interactions energy: -136.047 where: short stacking energy: -69.564 Base-Backbone interact. energy: -0.050 local terms energy: -77.151806 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -23.035 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: 215 Temperature: 1.100000 Total energy: -209.645125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.645125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.645125 (E_RNA) where: Base-Base interactions energy: -135.068 where: short stacking energy: -61.481 Base-Backbone interact. energy: -1.238 local terms energy: -73.338617 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -198.402009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.402009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.402009 (E_RNA) where: Base-Base interactions energy: -126.639 where: short stacking energy: -56.300 Base-Backbone interact. energy: -0.001 local terms energy: -71.762126 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -14.447 flat angles C4'-P-C4' energy: -13.431 flat angles P-C4'-P energy: -12.075 tors. eta vs tors. theta energy: -19.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -197.003208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.003208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.003208 (E_RNA) where: Base-Base interactions energy: -134.855 where: short stacking energy: -49.131 Base-Backbone interact. energy: -0.292 local terms energy: -61.856731 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -14.226 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -85.925483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.925483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.925483 (E_RNA) where: Base-Base interactions energy: -32.826 where: short stacking energy: -32.826 Base-Backbone interact. energy: -0.049 local terms energy: -53.050602 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -6.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -82.913713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.913713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.913713 (E_RNA) where: Base-Base interactions energy: -34.498 where: short stacking energy: -25.750 Base-Backbone interact. energy: -0.141 local terms energy: -48.274668 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: 0.504 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: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -79.542432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.542432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.542432 (E_RNA) where: Base-Base interactions energy: -34.007 where: short stacking energy: -28.852 Base-Backbone interact. energy: -0.101 local terms energy: -45.433877 where: bonds (distance) C4'-P energy: -6.436 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -7.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -213.496437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.496437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.496437 (E_RNA) where: Base-Base interactions energy: -137.347 where: short stacking energy: -66.481 Base-Backbone interact. energy: -0.008 local terms energy: -76.141071 where: bonds (distance) C4'-P energy: -14.916 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -12.100 tors. eta vs tors. theta energy: -19.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -210.771850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.771850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.771850 (E_RNA) where: Base-Base interactions energy: -141.328 where: short stacking energy: -59.091 Base-Backbone interact. energy: -0.091 local terms energy: -69.352919 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -15.496 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -210.178013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.178013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.178013 (E_RNA) where: Base-Base interactions energy: -147.063 where: short stacking energy: -58.708 Base-Backbone interact. energy: 1.750 local terms energy: -64.864124 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -13.257 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -16.206 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: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -196.506291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.506291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.506291 (E_RNA) where: Base-Base interactions energy: -135.574 where: short stacking energy: -54.505 Base-Backbone interact. energy: -0.129 local terms energy: -60.803412 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -8.996 flat angles C4'-P-C4' energy: -11.958 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -15.850 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: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -206.680544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.680544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.680544 (E_RNA) where: Base-Base interactions energy: -137.312 where: short stacking energy: -59.050 Base-Backbone interact. energy: -0.089 local terms energy: -69.279512 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -9.648 flat angles P-C4'-P energy: -10.146 tors. eta vs tors. theta energy: -19.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -195.658067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.658067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.658067 (E_RNA) where: Base-Base interactions energy: -136.529 where: short stacking energy: -61.343 Base-Backbone interact. energy: -0.279 local terms energy: -58.849621 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -17.985 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: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -194.185104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.185104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.185104 (E_RNA) where: Base-Base interactions energy: -140.433 where: short stacking energy: -51.119 Base-Backbone interact. energy: -0.190 local terms energy: -53.562649 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -11.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -76.515040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.515040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.515040 (E_RNA) where: Base-Base interactions energy: -29.017 where: short stacking energy: -24.504 Base-Backbone interact. energy: 1.031 local terms energy: -48.528977 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -14.901 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -11.011 tors. eta vs tors. theta energy: 0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -76.974512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.974512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.974512 (E_RNA) where: Base-Base interactions energy: -28.661 where: short stacking energy: -13.938 Base-Backbone interact. energy: -0.074 local terms energy: -48.239566 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: 2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -73.727857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.727857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.727857 (E_RNA) where: Base-Base interactions energy: -24.272 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.261 local terms energy: -49.194548 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -15.665 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -214.250554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.250554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.250554 (E_RNA) where: Base-Base interactions energy: -143.002 where: short stacking energy: -64.680 Base-Backbone interact. energy: -0.062 local terms energy: -71.186483 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -17.141 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: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -212.576108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.576108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.576108 (E_RNA) where: Base-Base interactions energy: -141.265 where: short stacking energy: -64.348 Base-Backbone interact. energy: -0.056 local terms energy: -71.254928 where: bonds (distance) C4'-P energy: -12.901 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -16.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -207.620766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.620766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.620766 (E_RNA) where: Base-Base interactions energy: -132.675 where: short stacking energy: -52.713 Base-Backbone interact. energy: -0.212 local terms energy: -74.733086 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -16.242 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -205.320395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.320395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.320395 (E_RNA) where: Base-Base interactions energy: -133.934 where: short stacking energy: -54.581 Base-Backbone interact. energy: -0.110 local terms energy: -71.276059 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -15.697 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -11.776 tors. eta vs tors. theta energy: -17.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -211.004620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.004620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.004620 (E_RNA) where: Base-Base interactions energy: -137.496 where: short stacking energy: -58.713 Base-Backbone interact. energy: 0.004 local terms energy: -73.511819 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -18.219 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: 3 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -193.631380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.631380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.631380 (E_RNA) where: Base-Base interactions energy: -124.442 where: short stacking energy: -54.093 Base-Backbone interact. energy: -0.008 local terms energy: -69.180471 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -16.750 flat angles C4'-P-C4' energy: -11.369 flat angles P-C4'-P energy: -11.242 tors. eta vs tors. theta energy: -15.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -191.277843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.277843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.277843 (E_RNA) where: Base-Base interactions energy: -124.004 where: short stacking energy: -52.190 Base-Backbone interact. energy: -0.001 local terms energy: -67.273021 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -77.550697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.550697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.550697 (E_RNA) where: Base-Base interactions energy: -34.992 where: short stacking energy: -25.267 Base-Backbone interact. energy: -1.146 local terms energy: -41.412578 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -11.536 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: 1.832 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: 8 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -70.053935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.053935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.053935 (E_RNA) where: Base-Base interactions energy: -25.630 where: short stacking energy: -23.424 Base-Backbone interact. energy: -0.064 local terms energy: -44.360018 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: 4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -60.994916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.994916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.994916 (E_RNA) where: Base-Base interactions energy: -19.837 where: short stacking energy: -19.837 Base-Backbone interact. energy: -0.003 local terms energy: -41.154440 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -9.835 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: 0.102 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: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -225.574042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.574042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.574042 (E_RNA) where: Base-Base interactions energy: -148.803 where: short stacking energy: -66.895 Base-Backbone interact. energy: -0.025 local terms energy: -76.745718 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -9.622 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: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -218.742045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.742045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.742045 (E_RNA) where: Base-Base interactions energy: -148.395 where: short stacking energy: -58.707 Base-Backbone interact. energy: -0.019 local terms energy: -70.327282 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -14.975 flat angles C4'-P-C4' energy: -16.896 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -209.085023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.085023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.085023 (E_RNA) where: Base-Base interactions energy: -135.156 where: short stacking energy: -61.686 Base-Backbone interact. energy: -0.002 local terms energy: -73.926892 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -17.340 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -19.513 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: 2 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -211.648014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.648014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.648014 (E_RNA) where: Base-Base interactions energy: -135.276 where: short stacking energy: -64.176 Base-Backbone interact. energy: -0.129 local terms energy: -76.243314 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -16.782 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -22.026 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: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -204.449854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.449854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.449854 (E_RNA) where: Base-Base interactions energy: -138.310 where: short stacking energy: -67.848 Base-Backbone interact. energy: -0.018 local terms energy: -66.122111 where: bonds (distance) C4'-P energy: -10.804 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -11.208 tors. eta vs tors. theta energy: -18.162 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: 3 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -201.206238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.206238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.206238 (E_RNA) where: Base-Base interactions energy: -128.749 where: short stacking energy: -61.257 Base-Backbone interact. energy: -0.013 local terms energy: -72.444187 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -16.044 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -18.483 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: 10 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -203.247538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.247538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.247538 (E_RNA) where: Base-Base interactions energy: -133.074 where: short stacking energy: -60.286 Base-Backbone interact. energy: -0.061 local terms energy: -70.112482 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -12.487 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -11.096 tors. eta vs tors. theta energy: -19.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -88.478367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.478367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.478367 (E_RNA) where: Base-Base interactions energy: -39.394 where: short stacking energy: -30.651 Base-Backbone interact. energy: -1.698 local terms energy: -47.386283 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -11.224 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -73.788301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.788301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.788301 (E_RNA) where: Base-Base interactions energy: -27.665 where: short stacking energy: -26.766 Base-Backbone interact. energy: -0.045 local terms energy: -46.078625 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -9.905 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -77.233013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.233013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.233013 (E_RNA) where: Base-Base interactions energy: -34.006 where: short stacking energy: -29.816 Base-Backbone interact. energy: -0.606 local terms energy: -42.620506 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: 0.628 tors. eta vs tors. theta energy: -5.079 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: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -213.827266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.827266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.827266 (E_RNA) where: Base-Base interactions energy: -142.694 where: short stacking energy: -70.593 Base-Backbone interact. energy: -0.002 local terms energy: -71.131490 where: bonds (distance) C4'-P energy: -16.397 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -21.512 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: 1 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -212.952891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.952891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.952891 (E_RNA) where: Base-Base interactions energy: -135.571 where: short stacking energy: -58.275 Base-Backbone interact. energy: -0.061 local terms energy: -77.321122 where: bonds (distance) C4'-P energy: -17.023 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -15.630 flat angles P-C4'-P energy: -12.995 tors. eta vs tors. theta energy: -20.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -214.371626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.371626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.371626 (E_RNA) where: Base-Base interactions energy: -144.133 where: short stacking energy: -64.290 Base-Backbone interact. energy: -0.004 local terms energy: -70.233946 where: bonds (distance) C4'-P energy: -11.814 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -21.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -198.866252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.866252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.866252 (E_RNA) where: Base-Base interactions energy: -129.715 where: short stacking energy: -55.403 Base-Backbone interact. energy: -1.370 local terms energy: -67.781693 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -9.046 tors. eta vs tors. theta energy: -15.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -201.207684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.207684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.207684 (E_RNA) where: Base-Base interactions energy: -137.545 where: short stacking energy: -56.679 Base-Backbone interact. energy: -0.031 local terms energy: -63.630977 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -11.570 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -19.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -192.503507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.503507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.503507 (E_RNA) where: Base-Base interactions energy: -133.739 where: short stacking energy: -52.190 Base-Backbone interact. energy: -0.202 local terms energy: -58.563353 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -16.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -197.217201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.217201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.217201 (E_RNA) where: Base-Base interactions energy: -129.517 where: short stacking energy: -62.262 Base-Backbone interact. energy: -0.024 local terms energy: -67.676999 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -17.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -72.793961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.793961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.793961 (E_RNA) where: Base-Base interactions energy: -29.189 where: short stacking energy: -23.740 Base-Backbone interact. energy: -0.235 local terms energy: -43.369606 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -12.417 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -78.114300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.114300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.114300 (E_RNA) where: Base-Base interactions energy: -31.919 where: short stacking energy: -22.927 Base-Backbone interact. energy: -0.105 local terms energy: -46.090269 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -10.274 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -75.211472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.211472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.211472 (E_RNA) where: Base-Base interactions energy: -30.218 where: short stacking energy: -16.421 Base-Backbone interact. energy: 0.009 local terms energy: -45.002008 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -4.608 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -220.843176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.843176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.843176 (E_RNA) where: Base-Base interactions energy: -144.784 where: short stacking energy: -66.849 Base-Backbone interact. energy: -0.022 local terms energy: -76.037241 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -21.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -217.698272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.698272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.698272 (E_RNA) where: Base-Base interactions energy: -142.641 where: short stacking energy: -66.029 Base-Backbone interact. energy: -0.036 local terms energy: -75.021127 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -205.964481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.964481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.964481 (E_RNA) where: Base-Base interactions energy: -138.128 where: short stacking energy: -58.339 Base-Backbone interact. energy: -0.311 local terms energy: -67.525197 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -15.229 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -17.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -205.718346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.718346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.718346 (E_RNA) where: Base-Base interactions energy: -141.603 where: short stacking energy: -58.520 Base-Backbone interact. energy: -0.270 local terms energy: -63.844947 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -11.369 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -15.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -204.302574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.302574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.302574 (E_RNA) where: Base-Base interactions energy: -131.356 where: short stacking energy: -63.604 Base-Backbone interact. energy: -0.004 local terms energy: -72.942203 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -16.012 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -21.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -198.947554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.947554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.947554 (E_RNA) where: Base-Base interactions energy: -128.933 where: short stacking energy: -51.795 Base-Backbone interact. energy: 0.681 local terms energy: -70.694768 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -19.234 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: 7, replica: 3 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -202.797808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.797808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.797808 (E_RNA) where: Base-Base interactions energy: -141.830 where: short stacking energy: -64.716 Base-Backbone interact. energy: -0.508 local terms energy: -60.460082 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -8.557 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -17.600 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: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -75.566044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.566044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.566044 (E_RNA) where: Base-Base interactions energy: -35.800 where: short stacking energy: -26.253 Base-Backbone interact. energy: -0.271 local terms energy: -39.495445 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -1.362 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: 4 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -69.790831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.790831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.790831 (E_RNA) where: Base-Base interactions energy: -22.799 where: short stacking energy: -21.103 Base-Backbone interact. energy: -0.263 local terms energy: -46.728142 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -9.332 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -74.601960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.601960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.601960 (E_RNA) where: Base-Base interactions energy: -28.832 where: short stacking energy: -25.962 Base-Backbone interact. energy: -0.129 local terms energy: -45.641118 where: bonds (distance) C4'-P energy: -17.440 bonds (distance) P-C4' energy: -12.452 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -215.861766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.861766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.861766 (E_RNA) where: Base-Base interactions energy: -143.367 where: short stacking energy: -60.379 Base-Backbone interact. energy: -0.080 local terms energy: -72.414090 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -16.701 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -10.976 tors. eta vs tors. theta energy: -16.365 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: 1 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -212.784563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.784563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.784563 (E_RNA) where: Base-Base interactions energy: -138.725 where: short stacking energy: -63.086 Base-Backbone interact. energy: -0.551 local terms energy: -73.508432 where: bonds (distance) C4'-P energy: -14.550 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -12.154 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: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -219.179854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.179854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.179854 (E_RNA) where: Base-Base interactions energy: -142.127 where: short stacking energy: -63.834 Base-Backbone interact. energy: -2.085 local terms energy: -74.967849 where: bonds (distance) C4'-P energy: -15.484 bonds (distance) P-C4' energy: -16.807 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: -20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -212.443135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.443135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.443135 (E_RNA) where: Base-Base interactions energy: -142.500 where: short stacking energy: -66.874 Base-Backbone interact. energy: -0.097 local terms energy: -69.846469 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -12.437 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: 5, replica: 5 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -205.875634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.875634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.875634 (E_RNA) where: Base-Base interactions energy: -134.469 where: short stacking energy: -59.185 Base-Backbone interact. energy: -0.010 local terms energy: -71.396392 where: bonds (distance) C4'-P energy: -14.489 bonds (distance) P-C4' energy: -16.974 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -15.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -197.723573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.723573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.723573 (E_RNA) where: Base-Base interactions energy: -134.500 where: short stacking energy: -58.040 Base-Backbone interact. energy: 0.073 local terms energy: -63.296332 where: bonds (distance) C4'-P energy: -14.264 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -13.035 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -196.678421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.678421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.678421 (E_RNA) where: Base-Base interactions energy: -133.803 where: short stacking energy: -61.707 Base-Backbone interact. energy: -0.318 local terms energy: -62.556862 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -19.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -81.402162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.402162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.402162 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -25.108 Base-Backbone interact. energy: -0.232 local terms energy: -56.062163 where: bonds (distance) C4'-P energy: -17.680 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -16.089 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -0.517 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: 8 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -73.924569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.924569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.924569 (E_RNA) where: Base-Base interactions energy: -39.764 where: short stacking energy: -11.899 Base-Backbone interact. energy: -0.276 local terms energy: -33.884796 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: 2.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -69.903228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.903228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.903228 (E_RNA) where: Base-Base interactions energy: -25.489 where: short stacking energy: -20.569 Base-Backbone interact. energy: -0.074 local terms energy: -44.340380 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: 0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -218.658222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.658222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.658222 (E_RNA) where: Base-Base interactions energy: -140.371 where: short stacking energy: -67.055 Base-Backbone interact. energy: -0.053 local terms energy: -78.234047 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -14.727 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -11.684 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -207.224791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.224791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.224791 (E_RNA) where: Base-Base interactions energy: -132.462 where: short stacking energy: -62.314 Base-Backbone interact. energy: -0.127 local terms energy: -74.635732 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: -21.367 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: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -209.814538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.814538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.814538 (E_RNA) where: Base-Base interactions energy: -139.146 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.014 local terms energy: -70.654505 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -19.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -200.527780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.527780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.527780 (E_RNA) where: Base-Base interactions energy: -131.232 where: short stacking energy: -56.557 Base-Backbone interact. energy: -0.006 local terms energy: -69.289668 where: bonds (distance) C4'-P energy: -14.406 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -12.851 tors. eta vs tors. theta energy: -15.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -211.119695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.119695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.119695 (E_RNA) where: Base-Base interactions energy: -138.819 where: short stacking energy: -64.334 Base-Backbone interact. energy: -0.710 local terms energy: -71.591040 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -9.755 flat angles C4'-P-C4' energy: -17.034 flat angles P-C4'-P energy: -10.564 tors. eta vs tors. theta energy: -20.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -200.481004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.481004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.481004 (E_RNA) where: Base-Base interactions energy: -133.111 where: short stacking energy: -62.107 Base-Backbone interact. energy: -0.986 local terms energy: -66.383220 where: bonds (distance) C4'-P energy: -11.466 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -13.178 tors. eta vs tors. theta energy: -15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -82.551095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.551095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.551095 (E_RNA) where: Base-Base interactions energy: -28.908 where: short stacking energy: -21.717 Base-Backbone interact. energy: -0.865 local terms energy: -52.777904 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -0.414 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: 222 Temperature: 1.250000 Total energy: -190.240706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.240706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.240706 (E_RNA) where: Base-Base interactions energy: -125.878 where: short stacking energy: -54.229 Base-Backbone interact. energy: -0.094 local terms energy: -64.269038 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -7.238 tors. eta vs tors. theta energy: -12.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -87.946068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.946068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.946068 (E_RNA) where: Base-Base interactions energy: -36.875 where: short stacking energy: -36.749 Base-Backbone interact. energy: -0.230 local terms energy: -50.841034 where: bonds (distance) C4'-P energy: -11.260 bonds (distance) P-C4' energy: -7.565 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -74.069647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.069647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.069647 (E_RNA) where: Base-Base interactions energy: -26.352 where: short stacking energy: -26.352 Base-Backbone interact. energy: -0.476 local terms energy: -47.241506 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -12.506 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -2.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -221.026881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.026881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.026881 (E_RNA) where: Base-Base interactions energy: -145.175 where: short stacking energy: -65.553 Base-Backbone interact. energy: -2.417 local terms energy: -73.434901 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -16.198 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -21.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -217.767182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.767182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.767182 (E_RNA) where: Base-Base interactions energy: -143.740 where: short stacking energy: -69.311 Base-Backbone interact. energy: -0.003 local terms energy: -74.023952 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -13.024 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -211.205132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.205132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.205132 (E_RNA) where: Base-Base interactions energy: -133.399 where: short stacking energy: -65.451 Base-Backbone interact. energy: -0.024 local terms energy: -77.781230 where: bonds (distance) C4'-P energy: -11.024 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -12.977 tors. eta vs tors. theta energy: -20.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -211.738664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.738664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.738664 (E_RNA) where: Base-Base interactions energy: -141.335 where: short stacking energy: -68.460 Base-Backbone interact. energy: -1.457 local terms energy: -68.947081 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -12.158 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -9.469 tors. eta vs tors. theta energy: -20.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -205.016479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.016479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.016479 (E_RNA) where: Base-Base interactions energy: -135.935 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.028 local terms energy: -69.053122 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -17.030 flat angles P-C4'-P energy: -10.135 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: 6, replica: 3 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -198.695715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.695715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.695715 (E_RNA) where: Base-Base interactions energy: -137.274 where: short stacking energy: -50.943 Base-Backbone interact. energy: -0.097 local terms energy: -61.324211 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -12.217 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -13.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -77.589268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.589268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.589268 (E_RNA) where: Base-Base interactions energy: -34.045 where: short stacking energy: -20.570 Base-Backbone interact. energy: -0.682 local terms energy: -42.862803 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -192.178400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.178400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.178400 (E_RNA) where: Base-Base interactions energy: -129.944 where: short stacking energy: -61.085 Base-Backbone interact. energy: -0.013 local terms energy: -62.221694 where: bonds (distance) C4'-P energy: -9.959 bonds (distance) P-C4' energy: -13.076 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -8.168 tors. eta vs tors. theta energy: -18.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -86.349045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.349045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.349045 (E_RNA) where: Base-Base interactions energy: -35.983 where: short stacking energy: -34.613 Base-Backbone interact. energy: -0.197 local terms energy: -50.169127 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -9.474 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -10.130 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: 8 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -79.567446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.567446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.567446 (E_RNA) where: Base-Base interactions energy: -29.584 where: short stacking energy: -20.570 Base-Backbone interact. energy: 2.573 local terms energy: -52.556018 where: bonds (distance) C4'-P energy: -10.945 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -9.718 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -7.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -228.220574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.220574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.220574 (E_RNA) where: Base-Base interactions energy: -145.036 where: short stacking energy: -70.053 Base-Backbone interact. energy: -2.492 local terms energy: -80.691692 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -21.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -215.843499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.843499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.843499 (E_RNA) where: Base-Base interactions energy: -139.817 where: short stacking energy: -65.119 Base-Backbone interact. energy: -0.101 local terms energy: -75.925920 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -16.732 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -213.037522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.037522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.037522 (E_RNA) where: Base-Base interactions energy: -145.967 where: short stacking energy: -61.459 Base-Backbone interact. energy: -0.111 local terms energy: -66.959645 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -13.277 tors. eta vs tors. theta energy: -14.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -208.562832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.562832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.562832 (E_RNA) where: Base-Base interactions energy: -134.018 where: short stacking energy: -51.601 Base-Backbone interact. energy: -0.081 local terms energy: -74.463052 where: bonds (distance) C4'-P energy: -16.050 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -16.463 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -20.474 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: 3 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -201.468052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.468052 (E_RNA) where: Base-Base interactions energy: -134.514 where: short stacking energy: -51.044 Base-Backbone interact. energy: -0.234 local terms energy: -66.720427 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -14.888 flat angles C4'-P-C4' energy: -13.357 flat angles P-C4'-P energy: -10.429 tors. eta vs tors. theta energy: -15.520 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -200.732706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.732706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.732706 (E_RNA) where: Base-Base interactions energy: -127.571 where: short stacking energy: -66.612 Base-Backbone interact. energy: -0.061 local terms energy: -73.100155 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -19.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -172.582036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.582036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.582036 (E_RNA) where: Base-Base interactions energy: -112.113 where: short stacking energy: -50.653 Base-Backbone interact. energy: -0.182 local terms energy: -60.287012 where: bonds (distance) C4'-P energy: -17.130 bonds (distance) P-C4' energy: -12.165 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -89.477966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.477966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.477966 (E_RNA) where: Base-Base interactions energy: -41.102 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.036 local terms energy: -48.340052 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -3.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -74.077073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.077073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.077073 (E_RNA) where: Base-Base interactions energy: -28.960 where: short stacking energy: -27.683 Base-Backbone interact. energy: -0.614 local terms energy: -44.503090 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -2.456 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: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -70.785087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.785087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.785087 (E_RNA) where: Base-Base interactions energy: -24.288 where: short stacking energy: -24.288 Base-Backbone interact. energy: -0.103 local terms energy: -46.394218 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -11.019 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -5.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -226.171841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.171841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.171841 (E_RNA) where: Base-Base interactions energy: -151.861 where: short stacking energy: -70.191 Base-Backbone interact. energy: -0.292 local terms energy: -74.018629 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -213.804020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.804020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.804020 (E_RNA) where: Base-Base interactions energy: -143.938 where: short stacking energy: -61.804 Base-Backbone interact. energy: -0.049 local terms energy: -69.817615 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -10.678 tors. eta vs tors. theta energy: -16.295 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: 1 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -208.745291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.745291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.745291 (E_RNA) where: Base-Base interactions energy: -137.304 where: short stacking energy: -61.014 Base-Backbone interact. energy: -0.333 local terms energy: -71.108559 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -12.697 flat angles P-C4'-P energy: -12.686 tors. eta vs tors. theta energy: -18.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -206.615856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.615856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.615856 (E_RNA) where: Base-Base interactions energy: -138.996 where: short stacking energy: -66.310 Base-Backbone interact. energy: -0.656 local terms energy: -66.964305 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -10.247 flat angles C4'-P-C4' energy: -17.741 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -18.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -200.919576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.919576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.919576 (E_RNA) where: Base-Base interactions energy: -133.585 where: short stacking energy: -66.386 Base-Backbone interact. energy: -0.002 local terms energy: -67.332665 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -19.980 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: 225 Temperature: 1.150000 Total energy: -198.367472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.367472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.367472 (E_RNA) where: Base-Base interactions energy: -131.007 where: short stacking energy: -61.062 Base-Backbone interact. energy: -0.010 local terms energy: -67.350616 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -192.394287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.394287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.394287 (E_RNA) where: Base-Base interactions energy: -125.242 where: short stacking energy: -52.933 Base-Backbone interact. energy: -0.002 local terms energy: -67.150079 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -18.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -79.103260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.103260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.103260 (E_RNA) where: Base-Base interactions energy: -26.993 where: short stacking energy: -17.361 Base-Backbone interact. energy: -0.178 local terms energy: -51.932389 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -11.672 flat angles P-C4'-P energy: -8.497 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -87.220141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.220141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.220141 (E_RNA) where: Base-Base interactions energy: -33.956 where: short stacking energy: -29.163 Base-Backbone interact. energy: -0.239 local terms energy: -53.025202 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -67.059110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.059110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.059110 (E_RNA) where: Base-Base interactions energy: -25.897 where: short stacking energy: -23.008 Base-Backbone interact. energy: 1.434 local terms energy: -42.596203 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -213.617178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.617178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.617178 (E_RNA) where: Base-Base interactions energy: -139.720 where: short stacking energy: -61.002 Base-Backbone interact. energy: -0.588 local terms energy: -73.309002 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -10.924 tors. eta vs tors. theta energy: -17.848 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: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -217.324627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.324627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.324627 (E_RNA) where: Base-Base interactions energy: -141.917 where: short stacking energy: -61.583 Base-Backbone interact. energy: 1.714 local terms energy: -77.121962 where: bonds (distance) C4'-P energy: -15.072 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -17.074 flat angles P-C4'-P energy: -13.524 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -214.100412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.100412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.100412 (E_RNA) where: Base-Base interactions energy: -141.206 where: short stacking energy: -62.169 Base-Backbone interact. energy: -0.167 local terms energy: -72.727831 where: bonds (distance) C4'-P energy: -16.150 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -18.557 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: 4, replica: 3 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -207.105519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.105519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.105519 (E_RNA) where: Base-Base interactions energy: -133.908 where: short stacking energy: -57.965 Base-Backbone interact. energy: -0.828 local terms energy: -72.369555 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -204.056827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.056827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.056827 (E_RNA) where: Base-Base interactions energy: -133.141 where: short stacking energy: -60.564 Base-Backbone interact. energy: -0.590 local terms energy: -70.326430 where: bonds (distance) C4'-P energy: -11.888 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -15.514 flat angles P-C4'-P energy: -11.207 tors. eta vs tors. theta energy: -20.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -198.106333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.106333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.106333 (E_RNA) where: Base-Base interactions energy: -130.848 where: short stacking energy: -56.957 Base-Backbone interact. energy: -0.098 local terms energy: -67.160140 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -10.544 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: 7, replica: 2 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -189.283542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.283542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.283542 (E_RNA) where: Base-Base interactions energy: -125.675 where: short stacking energy: -53.399 Base-Backbone interact. energy: -0.473 local terms energy: -63.136138 where: bonds (distance) C4'-P energy: -6.584 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -21.329 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: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -76.506713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.506713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.506713 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.022 local terms energy: -54.414099 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -13.390 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -3.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -72.740875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.740875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.740875 (E_RNA) where: Base-Base interactions energy: -26.100 where: short stacking energy: -26.100 Base-Backbone interact. energy: -0.209 local terms energy: -46.431800 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -12.763 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -77.585980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.585980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.585980 (E_RNA) where: Base-Base interactions energy: -24.648 where: short stacking energy: -19.027 Base-Backbone interact. energy: 0.757 local terms energy: -53.694783 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -15.647 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -5.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -218.694041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.694041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.694041 (E_RNA) where: Base-Base interactions energy: -142.890 where: short stacking energy: -59.372 Base-Backbone interact. energy: -0.582 local terms energy: -75.221672 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -15.796 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -218.674043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.674043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.674043 (E_RNA) where: Base-Base interactions energy: -143.400 where: short stacking energy: -66.017 Base-Backbone interact. energy: -1.321 local terms energy: -73.952995 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -20.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -212.928655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.928655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.928655 (E_RNA) where: Base-Base interactions energy: -139.955 where: short stacking energy: -63.066 Base-Backbone interact. energy: -1.426 local terms energy: -71.547191 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -13.810 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -19.520 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: 3 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -208.111664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.111664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.111664 (E_RNA) where: Base-Base interactions energy: -132.653 where: short stacking energy: -67.344 Base-Backbone interact. energy: -0.106 local terms energy: -75.352540 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -14.815 flat angles C4'-P-C4' energy: -17.282 flat angles P-C4'-P energy: -9.216 tors. eta vs tors. theta energy: -20.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -210.167640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.167640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.167640 (E_RNA) where: Base-Base interactions energy: -135.900 where: short stacking energy: -64.846 Base-Backbone interact. energy: -0.794 local terms energy: -73.473804 where: bonds (distance) C4'-P energy: -15.495 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -15.411 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -19.083 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: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -193.163116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.163116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.163116 (E_RNA) where: Base-Base interactions energy: -125.584 where: short stacking energy: -51.343 Base-Backbone interact. energy: -0.087 local terms energy: -67.491673 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -16.204 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -197.279606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.279606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.279606 (E_RNA) where: Base-Base interactions energy: -132.619 where: short stacking energy: -61.576 Base-Backbone interact. energy: -0.005 local terms energy: -64.655829 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -15.786 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -18.991 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: 8, replica: 8 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -81.988278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.988278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.988278 (E_RNA) where: Base-Base interactions energy: -36.188 where: short stacking energy: -36.113 Base-Backbone interact. energy: -0.082 local terms energy: -45.718363 where: bonds (distance) C4'-P energy: -9.004 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -72.826477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.826477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.826477 (E_RNA) where: Base-Base interactions energy: -34.718 where: short stacking energy: -24.585 Base-Backbone interact. energy: -0.034 local terms energy: -38.073947 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -73.372357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.372357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.372357 (E_RNA) where: Base-Base interactions energy: -33.007 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.938 local terms energy: -39.426928 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -0.015 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: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -215.107466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.107466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.107466 (E_RNA) where: Base-Base interactions energy: -140.385 where: short stacking energy: -61.801 Base-Backbone interact. energy: -0.008 local terms energy: -74.714570 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -13.219 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -18.667 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: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -216.686214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.686214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.686214 (E_RNA) where: Base-Base interactions energy: -139.583 where: short stacking energy: -62.815 Base-Backbone interact. energy: -0.001 local terms energy: -77.102739 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -16.663 flat angles P-C4'-P energy: -11.490 tors. eta vs tors. theta energy: -21.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -202.465559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.465559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.465559 (E_RNA) where: Base-Base interactions energy: -138.252 where: short stacking energy: -52.203 Base-Backbone interact. energy: -0.146 local terms energy: -64.067521 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -17.298 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -14.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -204.112211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.112211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.112211 (E_RNA) where: Base-Base interactions energy: -136.899 where: short stacking energy: -62.732 Base-Backbone interact. energy: 0.175 local terms energy: -67.388339 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -13.876 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -18.481 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: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -200.995591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.995591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.995591 (E_RNA) where: Base-Base interactions energy: -135.273 where: short stacking energy: -60.997 Base-Backbone interact. energy: -0.012 local terms energy: -65.710754 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -192.759608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.759608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.759608 (E_RNA) where: Base-Base interactions energy: -122.736 where: short stacking energy: -52.244 Base-Backbone interact. energy: -0.155 local terms energy: -69.868448 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -13.044 tors. eta vs tors. theta energy: -16.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -189.523015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.523015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.523015 (E_RNA) where: Base-Base interactions energy: -127.262 where: short stacking energy: -49.730 Base-Backbone interact. energy: -0.138 local terms energy: -62.122628 where: bonds (distance) C4'-P energy: -8.245 bonds (distance) P-C4' energy: -10.181 flat angles C4'-P-C4' energy: -12.272 flat angles P-C4'-P energy: -12.223 tors. eta vs tors. theta energy: -19.202 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: 8 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -77.094009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.094009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.094009 (E_RNA) where: Base-Base interactions energy: -31.534 where: short stacking energy: -29.337 Base-Backbone interact. energy: -0.350 local terms energy: -45.210354 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -74.912026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.912026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.912026 (E_RNA) where: Base-Base interactions energy: -29.603 where: short stacking energy: -29.603 Base-Backbone interact. energy: -0.401 local terms energy: -44.908017 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -79.650004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.650004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.650004 (E_RNA) where: Base-Base interactions energy: -42.480 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.810 local terms energy: -36.359450 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -10.584 flat angles P-C4'-P energy: -0.619 tors. eta vs tors. theta energy: -0.750 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: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -219.884855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.884855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.884855 (E_RNA) where: Base-Base interactions energy: -153.183 where: short stacking energy: -67.688 Base-Backbone interact. energy: 0.020 local terms energy: -66.721347 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -13.034 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -220.138392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.138392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.138392 (E_RNA) where: Base-Base interactions energy: -154.312 where: short stacking energy: -57.914 Base-Backbone interact. energy: -0.452 local terms energy: -65.374607 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -8.278 tors. eta vs tors. theta energy: -14.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -208.094629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.094629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.094629 (E_RNA) where: Base-Base interactions energy: -142.756 where: short stacking energy: -59.890 Base-Backbone interact. energy: -0.107 local terms energy: -65.231581 where: bonds (distance) C4'-P energy: -9.315 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -15.284 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: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -206.480624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.480624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.480624 (E_RNA) where: Base-Base interactions energy: -143.470 where: short stacking energy: -57.494 Base-Backbone interact. energy: -0.699 local terms energy: -62.311373 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -17.492 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -13.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -198.083953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.083953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.083953 (E_RNA) where: Base-Base interactions energy: -135.376 where: short stacking energy: -51.424 Base-Backbone interact. energy: -0.250 local terms energy: -62.457946 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -14.853 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -195.940783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.940783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.940783 (E_RNA) where: Base-Base interactions energy: -122.939 where: short stacking energy: -53.656 Base-Backbone interact. energy: -0.413 local terms energy: -72.588934 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -14.702 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -17.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -190.819628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.819628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.819628 (E_RNA) where: Base-Base interactions energy: -120.205 where: short stacking energy: -55.748 Base-Backbone interact. energy: -0.011 local terms energy: -70.603244 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -17.467 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: 4 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -82.713463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.713463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.713463 (E_RNA) where: Base-Base interactions energy: -31.927 where: short stacking energy: -31.571 Base-Backbone interact. energy: 0.048 local terms energy: -50.834655 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -7.416 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: 9, replica: 8 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -82.182607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.182607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.182607 (E_RNA) where: Base-Base interactions energy: -35.400 where: short stacking energy: -31.884 Base-Backbone interact. energy: -0.135 local terms energy: -46.647650 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -2.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -78.229801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.229801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.229801 (E_RNA) where: Base-Base interactions energy: -32.441 where: short stacking energy: -26.540 Base-Backbone interact. energy: -0.163 local terms energy: -45.626127 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -10.532 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -0.026 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: 5 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -218.239917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.239917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.239917 (E_RNA) where: Base-Base interactions energy: -145.617 where: short stacking energy: -59.423 Base-Backbone interact. energy: -1.945 local terms energy: -70.678709 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -17.336 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -16.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -215.324642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.324642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.324642 (E_RNA) where: Base-Base interactions energy: -146.726 where: short stacking energy: -57.785 Base-Backbone interact. energy: -0.087 local terms energy: -68.511496 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -17.469 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: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -211.307337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.307337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.307337 (E_RNA) where: Base-Base interactions energy: -138.274 where: short stacking energy: -67.361 Base-Backbone interact. energy: -0.495 local terms energy: -72.538892 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -11.474 flat angles C4'-P-C4' energy: -17.727 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -18.177 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: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -205.585237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.585237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.585237 (E_RNA) where: Base-Base interactions energy: -140.097 where: short stacking energy: -59.658 Base-Backbone interact. energy: -0.055 local terms energy: -65.433384 where: bonds (distance) C4'-P energy: -15.848 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -12.063 tors. eta vs tors. theta energy: -17.107 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: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -206.244557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.244557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.244557 (E_RNA) where: Base-Base interactions energy: -142.449 where: short stacking energy: -53.110 Base-Backbone interact. energy: -0.290 local terms energy: -63.506089 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -10.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -190.166509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.166509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.166509 (E_RNA) where: Base-Base interactions energy: -126.936 where: short stacking energy: -57.087 Base-Backbone interact. energy: 0.252 local terms energy: -63.482578 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -15.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -197.992293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.992293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.992293 (E_RNA) where: Base-Base interactions energy: -132.710 where: short stacking energy: -58.873 Base-Backbone interact. energy: -0.002 local terms energy: -65.280230 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -11.342 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -79.169642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.169642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.169642 (E_RNA) where: Base-Base interactions energy: -32.490 where: short stacking energy: -32.490 Base-Backbone interact. energy: -0.007 local terms energy: -46.672514 where: bonds (distance) C4'-P energy: -8.491 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -70.399983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.399983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.399983 (E_RNA) where: Base-Base interactions energy: -21.524 where: short stacking energy: -19.478 Base-Backbone interact. energy: 0.297 local terms energy: -49.172590 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -10.514 tors. eta vs tors. theta energy: -2.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -71.779126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.779126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.779126 (E_RNA) where: Base-Base interactions energy: -29.871 where: short stacking energy: -28.161 Base-Backbone interact. energy: -0.452 local terms energy: -41.456411 where: bonds (distance) C4'-P energy: -10.679 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -9.693 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -217.232104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.232104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.232104 (E_RNA) where: Base-Base interactions energy: -140.637 where: short stacking energy: -69.082 Base-Backbone interact. energy: -0.070 local terms energy: -76.524324 where: bonds (distance) C4'-P energy: -14.181 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -22.339 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: 2, replica: 3 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -214.240946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.240946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.240946 (E_RNA) where: Base-Base interactions energy: -143.716 where: short stacking energy: -64.427 Base-Backbone interact. energy: -0.000 local terms energy: -70.524996 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -11.801 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -199.870930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.870930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.870930 (E_RNA) where: Base-Base interactions energy: -130.466 where: short stacking energy: -60.645 Base-Backbone interact. energy: -0.084 local terms energy: -69.320633 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -9.218 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -16.407 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: 10 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -209.154778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.154778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.154778 (E_RNA) where: Base-Base interactions energy: -136.055 where: short stacking energy: -61.705 Base-Backbone interact. energy: -0.709 local terms energy: -72.390842 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -12.219 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -20.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -203.632502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.632502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.632502 (E_RNA) where: Base-Base interactions energy: -129.090 where: short stacking energy: -60.933 Base-Backbone interact. energy: -0.486 local terms energy: -74.056710 where: bonds (distance) C4'-P energy: -15.429 bonds (distance) P-C4' energy: -16.294 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -16.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -193.434007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.434007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.434007 (E_RNA) where: Base-Base interactions energy: -129.623 where: short stacking energy: -55.697 Base-Backbone interact. energy: -0.120 local terms energy: -63.691834 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -10.699 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -16.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -195.455994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.455994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.455994 (E_RNA) where: Base-Base interactions energy: -132.890 where: short stacking energy: -46.011 Base-Backbone interact. energy: -0.236 local terms energy: -62.329310 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -11.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -74.511704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.511704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.511704 (E_RNA) where: Base-Base interactions energy: -25.691 where: short stacking energy: -21.466 Base-Backbone interact. energy: 2.239 local terms energy: -51.059657 where: bonds (distance) C4'-P energy: -15.618 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: 1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -81.724225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.724225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.724225 (E_RNA) where: Base-Base interactions energy: -33.472 where: short stacking energy: -31.811 Base-Backbone interact. energy: -0.252 local terms energy: -48.000392 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -11.748 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -73.040310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.040310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.040310 (E_RNA) where: Base-Base interactions energy: -25.865 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.029 local terms energy: -47.146857 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -14.763 flat angles C4'-P-C4' energy: -9.734 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -4.244 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: 1, replica: 3 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -225.137649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.137649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.137649 (E_RNA) where: Base-Base interactions energy: -153.930 where: short stacking energy: -61.449 Base-Backbone interact. energy: -0.122 local terms energy: -71.085448 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -18.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -215.855979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.855979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.855979 (E_RNA) where: Base-Base interactions energy: -143.657 where: short stacking energy: -70.658 Base-Backbone interact. energy: -0.577 local terms energy: -71.621946 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -12.815 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -22.001 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: 10 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -219.619956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.619956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.619956 (E_RNA) where: Base-Base interactions energy: -149.510 where: short stacking energy: -68.391 Base-Backbone interact. energy: 0.027 local terms energy: -70.136728 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -10.225 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -205.307780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.307780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.307780 (E_RNA) where: Base-Base interactions energy: -133.526 where: short stacking energy: -58.823 Base-Backbone interact. energy: -0.122 local terms energy: -71.659388 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -17.802 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -11.638 tors. eta vs tors. theta energy: -13.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -198.311837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.311837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.311837 (E_RNA) where: Base-Base interactions energy: -133.500 where: short stacking energy: -52.664 Base-Backbone interact. energy: -0.594 local terms energy: -64.217133 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -13.465 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: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -187.761117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.761117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.761117 (E_RNA) where: Base-Base interactions energy: -123.924 where: short stacking energy: -55.448 Base-Backbone interact. energy: -0.165 local terms energy: -63.672069 where: bonds (distance) C4'-P energy: -8.578 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -16.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -186.663854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.663854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.663854 (E_RNA) where: Base-Base interactions energy: -120.671 where: short stacking energy: -52.539 Base-Backbone interact. energy: -0.766 local terms energy: -65.227118 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -17.414 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: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -75.485797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.485797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.485797 (E_RNA) where: Base-Base interactions energy: -34.872 where: short stacking energy: -33.475 Base-Backbone interact. energy: 0.243 local terms energy: -40.856677 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -11.278 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -74.764505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.764505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.764505 (E_RNA) where: Base-Base interactions energy: -31.922 where: short stacking energy: -27.210 Base-Backbone interact. energy: 0.131 local terms energy: -42.973903 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -15.480 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: 0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -72.370243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.370243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.370243 (E_RNA) where: Base-Base interactions energy: -28.786 where: short stacking energy: -26.694 Base-Backbone interact. energy: 1.745 local terms energy: -45.329402 where: bonds (distance) C4'-P energy: -9.061 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -10.645 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -2.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -225.123873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.123873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.123873 (E_RNA) where: Base-Base interactions energy: -149.250 where: short stacking energy: -65.137 Base-Backbone interact. energy: -0.128 local terms energy: -75.745799 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -14.391 tors. eta vs tors. theta energy: -15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -220.242301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.242301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.242301 (E_RNA) where: Base-Base interactions energy: -143.901 where: short stacking energy: -63.618 Base-Backbone interact. energy: -0.028 local terms energy: -76.313335 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -210.265645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.265645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.265645 (E_RNA) where: Base-Base interactions energy: -136.284 where: short stacking energy: -61.717 Base-Backbone interact. energy: 0.602 local terms energy: -74.583633 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -12.708 tors. eta vs tors. theta energy: -19.207 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: 4, replica: 2 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -209.123138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.123138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.123138 (E_RNA) where: Base-Base interactions energy: -134.794 where: short stacking energy: -60.367 Base-Backbone interact. energy: -0.124 local terms energy: -74.205589 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -11.873 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -199.203631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.203631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.203631 (E_RNA) where: Base-Base interactions energy: -125.466 where: short stacking energy: -53.835 Base-Backbone interact. energy: -0.180 local terms energy: -73.557923 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -15.747 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -13.708 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: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -183.992346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.992346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.992346 (E_RNA) where: Base-Base interactions energy: -119.174 where: short stacking energy: -48.362 Base-Backbone interact. energy: -0.035 local terms energy: -64.783446 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -11.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -193.903394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.903394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.903394 (E_RNA) where: Base-Base interactions energy: -127.581 where: short stacking energy: -46.520 Base-Backbone interact. energy: 0.905 local terms energy: -67.227242 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -13.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -99.200095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.200095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.200095 (E_RNA) where: Base-Base interactions energy: -52.375 where: short stacking energy: -26.962 Base-Backbone interact. energy: -0.356 local terms energy: -46.469171 where: bonds (distance) C4'-P energy: -11.214 bonds (distance) P-C4' energy: -7.289 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -5.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -77.265207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.265207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.265207 (E_RNA) where: Base-Base interactions energy: -27.407 where: short stacking energy: -26.495 Base-Backbone interact. energy: -0.407 local terms energy: -49.450417 where: bonds (distance) C4'-P energy: -11.922 bonds (distance) P-C4' energy: -7.555 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -5.874 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: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -79.693611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.693611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.693611 (E_RNA) where: Base-Base interactions energy: -30.374 where: short stacking energy: -27.644 Base-Backbone interact. energy: -0.015 local terms energy: -49.304663 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -15.727 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -231.018339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.018339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.018339 (E_RNA) where: Base-Base interactions energy: -156.876 where: short stacking energy: -65.475 Base-Backbone interact. energy: 0.074 local terms energy: -74.216964 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -15.008 flat angles C4'-P-C4' energy: -16.455 flat angles P-C4'-P energy: -12.588 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -211.302075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.302075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.302075 (E_RNA) where: Base-Base interactions energy: -138.812 where: short stacking energy: -63.376 Base-Backbone interact. energy: -0.003 local terms energy: -72.486813 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: -20.448 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: 2 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -211.248177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.248177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.248177 (E_RNA) where: Base-Base interactions energy: -140.584 where: short stacking energy: -62.623 Base-Backbone interact. energy: -0.670 local terms energy: -69.994014 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -19.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -210.706189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.706189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.706189 (E_RNA) where: Base-Base interactions energy: -138.185 where: short stacking energy: -64.380 Base-Backbone interact. energy: -0.377 local terms energy: -72.143907 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -12.269 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -19.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -206.638355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.638355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.638355 (E_RNA) where: Base-Base interactions energy: -138.448 where: short stacking energy: -53.572 Base-Backbone interact. energy: -0.786 local terms energy: -67.403883 where: bonds (distance) C4'-P energy: -13.594 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -198.172597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.172597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.172597 (E_RNA) where: Base-Base interactions energy: -137.812 where: short stacking energy: -59.652 Base-Backbone interact. energy: -0.135 local terms energy: -60.225898 where: bonds (distance) C4'-P energy: -9.673 bonds (distance) P-C4' energy: -11.565 flat angles C4'-P-C4' energy: -15.756 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -15.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -191.430756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.430756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.430756 (E_RNA) where: Base-Base interactions energy: -130.277 where: short stacking energy: -55.755 Base-Backbone interact. energy: -0.372 local terms energy: -60.781193 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -9.934 flat angles C4'-P-C4' energy: -13.194 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -16.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -80.904100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.904100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.904100 (E_RNA) where: Base-Base interactions energy: -33.696 where: short stacking energy: -16.041 Base-Backbone interact. energy: -0.075 local terms energy: -47.133265 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -9.441 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -77.374429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.374429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.374429 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.447 local terms energy: -49.739966 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -15.213 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -2.414 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: 8 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -80.654499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.654499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.654499 (E_RNA) where: Base-Base interactions energy: -26.293 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.993 local terms energy: -53.367742 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -16.192 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -217.482447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.482447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.482447 (E_RNA) where: Base-Base interactions energy: -143.706 where: short stacking energy: -66.881 Base-Backbone interact. energy: -0.235 local terms energy: -73.541323 where: bonds (distance) C4'-P energy: -15.603 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -10.138 tors. eta vs tors. theta energy: -18.306 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: 2 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -217.552900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.552900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.552900 (E_RNA) where: Base-Base interactions energy: -143.644 where: short stacking energy: -62.169 Base-Backbone interact. energy: -0.578 local terms energy: -73.330691 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -16.519 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -218.558448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.558448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.558448 (E_RNA) where: Base-Base interactions energy: -146.781 where: short stacking energy: -60.893 Base-Backbone interact. energy: -0.048 local terms energy: -71.729127 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -17.881 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: 9 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -205.843979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.843979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.843979 (E_RNA) where: Base-Base interactions energy: -129.842 where: short stacking energy: -57.659 Base-Backbone interact. energy: -0.722 local terms energy: -75.279727 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -20.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -208.099910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.099910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.099910 (E_RNA) where: Base-Base interactions energy: -138.639 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.091 local terms energy: -69.369358 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -12.223 flat angles C4'-P-C4' energy: -15.582 flat angles P-C4'-P energy: -11.819 tors. eta vs tors. theta energy: -17.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -193.318716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.318716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.318716 (E_RNA) where: Base-Base interactions energy: -133.217 where: short stacking energy: -51.321 Base-Backbone interact. energy: -0.201 local terms energy: -59.901172 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -10.093 flat angles P-C4'-P energy: -10.527 tors. eta vs tors. theta energy: -10.259 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: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -188.331607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.331607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.331607 (E_RNA) where: Base-Base interactions energy: -118.988 where: short stacking energy: -52.720 Base-Backbone interact. energy: -0.113 local terms energy: -69.229699 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -16.532 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -78.741162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.741162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.741162 (E_RNA) where: Base-Base interactions energy: -32.374 where: short stacking energy: -32.374 Base-Backbone interact. energy: 0.146 local terms energy: -46.513076 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -11.526 flat angles P-C4'-P energy: -4.977 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -80.683315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.683315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.683315 (E_RNA) where: Base-Base interactions energy: -32.779 where: short stacking energy: -31.719 Base-Backbone interact. energy: -0.012 local terms energy: -47.892104 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -7.128 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: 8 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -75.966198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.966198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.966198 (E_RNA) where: Base-Base interactions energy: -28.625 where: short stacking energy: -24.969 Base-Backbone interact. energy: 0.029 local terms energy: -47.370358 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -220.925304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.925304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.925304 (E_RNA) where: Base-Base interactions energy: -143.406 where: short stacking energy: -63.132 Base-Backbone interact. energy: -0.009 local terms energy: -77.509430 where: bonds (distance) C4'-P energy: -15.673 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -15.938 flat angles P-C4'-P energy: -12.821 tors. eta vs tors. theta energy: -21.052 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: 2 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -215.316531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.316531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.316531 (E_RNA) where: Base-Base interactions energy: -133.127 where: short stacking energy: -59.298 Base-Backbone interact. energy: -0.006 local terms energy: -82.183696 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -14.277 tors. eta vs tors. theta energy: -18.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -206.841630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.841630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.841630 (E_RNA) where: Base-Base interactions energy: -132.480 where: short stacking energy: -57.722 Base-Backbone interact. energy: -0.014 local terms energy: -74.347381 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -16.548 flat angles P-C4'-P energy: -12.716 tors. eta vs tors. theta energy: -18.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -213.450074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.450074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.450074 (E_RNA) where: Base-Base interactions energy: -138.400 where: short stacking energy: -65.482 Base-Backbone interact. energy: -0.586 local terms energy: -74.463464 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -17.668 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -19.744 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: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -194.477375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.477375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.477375 (E_RNA) where: Base-Base interactions energy: -127.160 where: short stacking energy: -56.974 Base-Backbone interact. energy: -0.321 local terms energy: -66.996342 where: bonds (distance) C4'-P energy: -8.716 bonds (distance) P-C4' energy: -11.546 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -11.937 tors. eta vs tors. theta energy: -19.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -211.125387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.125387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.125387 (E_RNA) where: Base-Base interactions energy: -138.202 where: short stacking energy: -50.619 Base-Backbone interact. energy: -0.149 local terms energy: -72.773941 where: bonds (distance) C4'-P energy: -14.304 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -12.616 tors. eta vs tors. theta energy: -14.295 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: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -181.890055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.890055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.890055 (E_RNA) where: Base-Base interactions energy: -117.118 where: short stacking energy: -50.788 Base-Backbone interact. energy: -0.084 local terms energy: -64.688148 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -74.135946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.135946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.135946 (E_RNA) where: Base-Base interactions energy: -23.464 where: short stacking energy: -18.793 Base-Backbone interact. energy: -0.074 local terms energy: -50.597668 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -9.686 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -3.812 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: 8 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -87.033105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.033105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.033105 (E_RNA) where: Base-Base interactions energy: -34.113 where: short stacking energy: -34.113 Base-Backbone interact. energy: -0.125 local terms energy: -52.794819 where: bonds (distance) C4'-P energy: -14.872 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -10.308 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -84.187441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.187441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.187441 (E_RNA) where: Base-Base interactions energy: -30.122 where: short stacking energy: -30.122 Base-Backbone interact. energy: -0.062 local terms energy: -54.003540 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -12.780 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -221.697132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.697132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.697132 (E_RNA) where: Base-Base interactions energy: -150.818 where: short stacking energy: -65.231 Base-Backbone interact. energy: -1.626 local terms energy: -69.252960 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -13.176 tors. eta vs tors. theta energy: -17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -216.425090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.425090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.425090 (E_RNA) where: Base-Base interactions energy: -138.534 where: short stacking energy: -63.072 Base-Backbone interact. energy: -0.241 local terms energy: -77.650493 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -19.973 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: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -211.411691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.411691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.411691 (E_RNA) where: Base-Base interactions energy: -136.818 where: short stacking energy: -64.583 Base-Backbone interact. energy: -0.200 local terms energy: -74.394013 where: bonds (distance) C4'-P energy: -9.595 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -17.207 flat angles P-C4'-P energy: -12.145 tors. eta vs tors. theta energy: -19.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -205.793135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.793135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.793135 (E_RNA) where: Base-Base interactions energy: -133.832 where: short stacking energy: -60.156 Base-Backbone interact. energy: -0.002 local terms energy: -71.959127 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -16.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -203.644738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.644738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.644738 (E_RNA) where: Base-Base interactions energy: -131.719 where: short stacking energy: -53.357 Base-Backbone interact. energy: -0.395 local terms energy: -71.530086 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -15.721 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -179.215235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.215235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.215235 (E_RNA) where: Base-Base interactions energy: -120.175 where: short stacking energy: -52.669 Base-Backbone interact. energy: -0.632 local terms energy: -58.408190 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -14.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -194.845388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.845388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.845388 (E_RNA) where: Base-Base interactions energy: -130.919 where: short stacking energy: -59.809 Base-Backbone interact. energy: -0.006 local terms energy: -63.920841 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -13.164 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -18.982 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: 8 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -83.446481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.446481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.446481 (E_RNA) where: Base-Base interactions energy: -38.891 where: short stacking energy: -30.532 Base-Backbone interact. energy: -0.115 local terms energy: -44.440867 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -78.911016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.911016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.911016 (E_RNA) where: Base-Base interactions energy: -24.607 where: short stacking energy: -24.607 Base-Backbone interact. energy: -0.030 local terms energy: -54.273917 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -8.460 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -77.653531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.653531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.653531 (E_RNA) where: Base-Base interactions energy: -35.849 where: short stacking energy: -18.156 Base-Backbone interact. energy: 1.470 local terms energy: -43.275212 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -8.499 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -227.299643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.299643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.299643 (E_RNA) where: Base-Base interactions energy: -155.090 where: short stacking energy: -62.529 Base-Backbone interact. energy: -0.012 local terms energy: -72.197419 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -219.674171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.674171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.674171 (E_RNA) where: Base-Base interactions energy: -142.252 where: short stacking energy: -68.817 Base-Backbone interact. energy: -2.264 local terms energy: -75.157959 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -17.057 flat angles P-C4'-P energy: -10.735 tors. eta vs tors. theta energy: -21.452 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: 3, replica: 10 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -214.282118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.282118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.282118 (E_RNA) where: Base-Base interactions energy: -135.637 where: short stacking energy: -64.885 Base-Backbone interact. energy: -2.935 local terms energy: -75.710233 where: bonds (distance) C4'-P energy: -10.767 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -22.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -208.046401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.046401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.046401 (E_RNA) where: Base-Base interactions energy: -136.840 where: short stacking energy: -64.244 Base-Backbone interact. energy: -0.001 local terms energy: -71.204694 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -19.608 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: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -208.226894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.226894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.226894 (E_RNA) where: Base-Base interactions energy: -144.100 where: short stacking energy: -56.815 Base-Backbone interact. energy: -0.193 local terms energy: -63.934481 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -16.476 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -13.838 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: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -202.146353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.146353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.146353 (E_RNA) where: Base-Base interactions energy: -137.010 where: short stacking energy: -55.446 Base-Backbone interact. energy: -0.123 local terms energy: -65.013753 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -14.992 flat angles C4'-P-C4' energy: -11.978 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -188.126496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.126496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.126496 (E_RNA) where: Base-Base interactions energy: -123.961 where: short stacking energy: -50.015 Base-Backbone interact. energy: -1.247 local terms energy: -62.919003 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -13.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -86.155688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.155688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.155688 (E_RNA) where: Base-Base interactions energy: -34.141 where: short stacking energy: -29.246 Base-Backbone interact. energy: -0.135 local terms energy: -51.879678 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -8.017 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: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -70.442688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.442688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.442688 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -21.651 Base-Backbone interact. energy: -0.287 local terms energy: -48.504575 where: bonds (distance) C4'-P energy: -16.836 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -9.879 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -2.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -75.995249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.995249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.995249 (E_RNA) where: Base-Base interactions energy: -24.134 where: short stacking energy: -19.612 Base-Backbone interact. energy: -0.052 local terms energy: -51.809231 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -15.649 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -9.049 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -224.183724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.183724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.183724 (E_RNA) where: Base-Base interactions energy: -144.639 where: short stacking energy: -63.512 Base-Backbone interact. energy: -0.818 local terms energy: -78.725932 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -21.205 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: 2, replica: 10 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -207.043619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.043619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.043619 (E_RNA) where: Base-Base interactions energy: -128.886 where: short stacking energy: -58.029 Base-Backbone interact. energy: -0.786 local terms energy: -77.371411 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -17.720 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -17.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -205.066418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.066418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.066418 (E_RNA) where: Base-Base interactions energy: -133.226 where: short stacking energy: -67.046 Base-Backbone interact. energy: -0.121 local terms energy: -71.719489 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -11.379 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -13.776 tors. eta vs tors. theta energy: -21.230 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: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -220.246413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.246413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.246413 (E_RNA) where: Base-Base interactions energy: -143.534 where: short stacking energy: -59.204 Base-Backbone interact. energy: 0.190 local terms energy: -76.901792 where: bonds (distance) C4'-P energy: -17.540 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -17.981 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -209.844474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.844474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.844474 (E_RNA) where: Base-Base interactions energy: -143.699 where: short stacking energy: -53.943 Base-Backbone interact. energy: -0.707 local terms energy: -65.438347 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -17.792 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -13.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -191.170202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.170202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.170202 (E_RNA) where: Base-Base interactions energy: -127.624 where: short stacking energy: -54.677 Base-Backbone interact. energy: -0.137 local terms energy: -63.408582 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -185.478331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.478331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.478331 (E_RNA) where: Base-Base interactions energy: -122.934 where: short stacking energy: -53.623 Base-Backbone interact. energy: -0.000 local terms energy: -62.543701 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -18.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -73.073659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.073659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.073659 (E_RNA) where: Base-Base interactions energy: -27.788 where: short stacking energy: -25.430 Base-Backbone interact. energy: -1.052 local terms energy: -44.233896 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -7.932 tors. eta vs tors. theta energy: 2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -94.680845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.680845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.680845 (E_RNA) where: Base-Base interactions energy: -56.067 where: short stacking energy: -19.415 Base-Backbone interact. energy: -0.348 local terms energy: -38.265820 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -78.005989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.005989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.005989 (E_RNA) where: Base-Base interactions energy: -32.321 where: short stacking energy: -27.375 Base-Backbone interact. energy: -0.375 local terms energy: -45.310643 where: bonds (distance) C4'-P energy: -9.203 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -9.230 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -3.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -213.752443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.752443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.752443 (E_RNA) where: Base-Base interactions energy: -144.501 where: short stacking energy: -59.111 Base-Backbone interact. energy: -0.314 local terms energy: -68.937841 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -12.029 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -215.681077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.681077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.681077 (E_RNA) where: Base-Base interactions energy: -138.220 where: short stacking energy: -66.724 Base-Backbone interact. energy: -1.625 local terms energy: -75.836520 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -16.566 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -21.265 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: 240 Temperature: 1.000000 Total energy: -204.498506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.498506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.498506 (E_RNA) where: Base-Base interactions energy: -134.032 where: short stacking energy: -63.564 Base-Backbone interact. energy: -0.836 local terms energy: -69.630187 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -12.375 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: -18.533 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: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -214.018044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.018044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.018044 (E_RNA) where: Base-Base interactions energy: -144.487 where: short stacking energy: -64.961 Base-Backbone interact. energy: -1.197 local terms energy: -68.334088 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -207.472031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.472031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.472031 (E_RNA) where: Base-Base interactions energy: -141.497 where: short stacking energy: -53.163 Base-Backbone interact. energy: -0.659 local terms energy: -65.316076 where: bonds (distance) C4'-P energy: -15.200 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -12.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -196.002605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.002605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.002605 (E_RNA) where: Base-Base interactions energy: -129.480 where: short stacking energy: -52.110 Base-Backbone interact. energy: -0.028 local terms energy: -66.494617 where: bonds (distance) C4'-P energy: -10.824 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -12.328 tors. eta vs tors. theta energy: -15.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -185.567281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.567281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.567281 (E_RNA) where: Base-Base interactions energy: -130.305 where: short stacking energy: -57.200 Base-Backbone interact. energy: -0.024 local terms energy: -55.238074 where: bonds (distance) C4'-P energy: -9.215 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -71.475837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.475837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.475837 (E_RNA) where: Base-Base interactions energy: -33.135 where: short stacking energy: -29.671 Base-Backbone interact. energy: -0.043 local terms energy: -38.298289 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -9.191 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: 1.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -81.612345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.612345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.612345 (E_RNA) where: Base-Base interactions energy: -27.727 where: short stacking energy: -24.855 Base-Backbone interact. energy: -0.047 local terms energy: -53.838675 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -2.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -82.977417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.977417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.977417 (E_RNA) where: Base-Base interactions energy: -44.078 where: short stacking energy: -27.517 Base-Backbone interact. energy: -0.084 local terms energy: -38.815732 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -11.285 flat angles P-C4'-P energy: -6.564 tors. eta vs tors. theta energy: -1.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -219.836472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.836472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.836472 (E_RNA) where: Base-Base interactions energy: -141.345 where: short stacking energy: -62.297 Base-Backbone interact. energy: -2.171 local terms energy: -76.320227 where: bonds (distance) C4'-P energy: -14.527 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -15.648 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -21.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -210.634148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.634148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.634148 (E_RNA) where: Base-Base interactions energy: -138.061 where: short stacking energy: -56.154 Base-Backbone interact. energy: -0.017 local terms energy: -72.556149 where: bonds (distance) C4'-P energy: -14.556 bonds (distance) P-C4' energy: -13.868 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -11.845 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -214.796613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.796613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.796613 (E_RNA) where: Base-Base interactions energy: -135.379 where: short stacking energy: -66.355 Base-Backbone interact. energy: 0.407 local terms energy: -79.824697 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -12.028 tors. eta vs tors. theta energy: -21.170 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: 2 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -214.196435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.196435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.196435 (E_RNA) where: Base-Base interactions energy: -149.364 where: short stacking energy: -56.178 Base-Backbone interact. energy: -0.106 local terms energy: -64.726543 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -13.253 flat angles P-C4'-P energy: -12.250 tors. eta vs tors. theta energy: -11.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -207.721997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.721997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.721997 (E_RNA) where: Base-Base interactions energy: -138.397 where: short stacking energy: -56.185 Base-Backbone interact. energy: -0.044 local terms energy: -69.281109 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -13.235 flat angles P-C4'-P energy: -12.446 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -203.230748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.230748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.230748 (E_RNA) where: Base-Base interactions energy: -137.151 where: short stacking energy: -58.473 Base-Backbone interact. energy: -0.008 local terms energy: -66.071470 where: bonds (distance) C4'-P energy: -7.437 bonds (distance) P-C4' energy: -17.492 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -17.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -186.766135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.766135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.766135 (E_RNA) where: Base-Base interactions energy: -116.856 where: short stacking energy: -59.012 Base-Backbone interact. energy: -0.061 local terms energy: -69.848525 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -5.370 tors. eta vs tors. theta energy: -17.043 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: 8 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -81.389836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.389836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.389836 (E_RNA) where: Base-Base interactions energy: -29.168 where: short stacking energy: -29.168 Base-Backbone interact. energy: -0.069 local terms energy: -52.152864 where: bonds (distance) C4'-P energy: -12.200 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -93.329260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.329260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.329260 (E_RNA) where: Base-Base interactions energy: -45.438 where: short stacking energy: -33.397 Base-Backbone interact. energy: -0.064 local terms energy: -47.828051 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -12.336 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -4.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -72.187340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.187340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.187340 (E_RNA) where: Base-Base interactions energy: -31.634 where: short stacking energy: -18.095 Base-Backbone interact. energy: -0.193 local terms energy: -40.359719 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -2.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -228.730581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.730581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.730581 (E_RNA) where: Base-Base interactions energy: -149.973 where: short stacking energy: -65.618 Base-Backbone interact. energy: -0.048 local terms energy: -78.710019 where: bonds (distance) C4'-P energy: -15.096 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -16.536 flat angles P-C4'-P energy: -11.235 tors. eta vs tors. theta energy: -19.783 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: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -210.253789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.253789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.253789 (E_RNA) where: Base-Base interactions energy: -139.456 where: short stacking energy: -62.319 Base-Backbone interact. energy: -0.028 local terms energy: -70.769301 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -8.097 tors. eta vs tors. theta energy: -18.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -214.893828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.893828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.893828 (E_RNA) where: Base-Base interactions energy: -140.634 where: short stacking energy: -65.558 Base-Backbone interact. energy: -0.172 local terms energy: -74.087027 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -12.318 tors. eta vs tors. theta energy: -19.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -213.301779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.301779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.301779 (E_RNA) where: Base-Base interactions energy: -140.399 where: short stacking energy: -52.899 Base-Backbone interact. energy: -0.155 local terms energy: -72.747965 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -11.446 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -197.794994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.794994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.794994 (E_RNA) where: Base-Base interactions energy: -137.353 where: short stacking energy: -55.202 Base-Backbone interact. energy: -0.020 local terms energy: -60.422280 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -13.033 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -12.875 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -197.720298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.720298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.720298 (E_RNA) where: Base-Base interactions energy: -131.076 where: short stacking energy: -46.326 Base-Backbone interact. energy: -0.106 local terms energy: -66.537404 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -11.000 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: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -193.352357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.352357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.352357 (E_RNA) where: Base-Base interactions energy: -122.101 where: short stacking energy: -53.172 Base-Backbone interact. energy: -0.049 local terms energy: -71.202285 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -10.434 tors. eta vs tors. theta energy: -15.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -78.639194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.639194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.639194 (E_RNA) where: Base-Base interactions energy: -38.103 where: short stacking energy: -30.533 Base-Backbone interact. energy: -0.061 local terms energy: -40.474361 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -5.219 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -76.086947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.086947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.086947 (E_RNA) where: Base-Base interactions energy: -39.648 where: short stacking energy: -23.710 Base-Backbone interact. energy: 0.276 local terms energy: -36.715612 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -10.875 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: 2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -91.533993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.533993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.533993 (E_RNA) where: Base-Base interactions energy: -42.174 where: short stacking energy: -21.223 Base-Backbone interact. energy: -0.088 local terms energy: -49.272243 where: bonds (distance) C4'-P energy: -10.084 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -3.478 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: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -210.895873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.895873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.895873 (E_RNA) where: Base-Base interactions energy: -137.263 where: short stacking energy: -59.745 Base-Backbone interact. energy: -0.007 local terms energy: -73.625693 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -16.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -217.653662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.653662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.653662 (E_RNA) where: Base-Base interactions energy: -143.735 where: short stacking energy: -64.679 Base-Backbone interact. energy: -2.729 local terms energy: -71.188899 where: bonds (distance) C4'-P energy: -11.217 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -19.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -209.676422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.676422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.676422 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -59.012 Base-Backbone interact. energy: -0.092 local terms energy: -72.245350 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -12.953 tors. eta vs tors. theta energy: -16.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -208.268918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.268918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.268918 (E_RNA) where: Base-Base interactions energy: -133.815 where: short stacking energy: -59.357 Base-Backbone interact. energy: -0.145 local terms energy: -74.308871 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -12.690 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: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -210.170508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.170508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.170508 (E_RNA) where: Base-Base interactions energy: -150.623 where: short stacking energy: -51.161 Base-Backbone interact. energy: -0.302 local terms energy: -59.245069 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -14.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -200.281969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.281969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.281969 (E_RNA) where: Base-Base interactions energy: -130.339 where: short stacking energy: -58.564 Base-Backbone interact. energy: -0.000 local terms energy: -69.942392 where: bonds (distance) C4'-P energy: -14.534 bonds (distance) P-C4' energy: -11.175 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -17.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -199.894050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.894050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.894050 (E_RNA) where: Base-Base interactions energy: -135.089 where: short stacking energy: -46.997 Base-Backbone interact. energy: -0.100 local terms energy: -64.704315 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -12.076 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -90.989823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.989823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.989823 (E_RNA) where: Base-Base interactions energy: -38.229 where: short stacking energy: -26.066 Base-Backbone interact. energy: 0.670 local terms energy: -53.430039 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -7.419 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: 8 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -75.127707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.127707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.127707 (E_RNA) where: Base-Base interactions energy: -32.911 where: short stacking energy: -28.488 Base-Backbone interact. energy: -0.218 local terms energy: -41.998442 where: bonds (distance) C4'-P energy: -9.326 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: 1.382 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: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -87.058221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.058221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.058221 (E_RNA) where: Base-Base interactions energy: -46.480 where: short stacking energy: -30.580 Base-Backbone interact. energy: -0.066 local terms energy: -40.512802 where: bonds (distance) C4'-P energy: -10.283 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -13.332 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -222.101422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.101422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.101422 (E_RNA) where: Base-Base interactions energy: -151.449 where: short stacking energy: -59.842 Base-Backbone interact. energy: -0.046 local terms energy: -70.606331 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -16.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -224.684010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.684010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.684010 (E_RNA) where: Base-Base interactions energy: -160.593 where: short stacking energy: -53.487 Base-Backbone interact. energy: -0.500 local terms energy: -63.590761 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -10.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -212.336295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.336295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.336295 (E_RNA) where: Base-Base interactions energy: -148.594 where: short stacking energy: -54.202 Base-Backbone interact. energy: -0.594 local terms energy: -63.148393 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -13.180 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: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -208.103328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.103328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.103328 (E_RNA) where: Base-Base interactions energy: -144.884 where: short stacking energy: -64.796 Base-Backbone interact. energy: -0.033 local terms energy: -63.186996 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -15.109 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -14.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -195.528136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.528136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.528136 (E_RNA) where: Base-Base interactions energy: -130.409 where: short stacking energy: -57.624 Base-Backbone interact. energy: 0.365 local terms energy: -65.484302 where: bonds (distance) C4'-P energy: -15.639 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -11.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -191.258199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.258199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.258199 (E_RNA) where: Base-Base interactions energy: -127.080 where: short stacking energy: -46.422 Base-Backbone interact. energy: -0.281 local terms energy: -63.897348 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -10.897 tors. eta vs tors. theta energy: -12.146 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: 244 Temperature: 1.200000 Total energy: -201.311602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.311602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.311602 (E_RNA) where: Base-Base interactions energy: -131.170 where: short stacking energy: -50.379 Base-Backbone interact. energy: -0.174 local terms energy: -69.967890 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -13.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -86.420623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.420623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.420623 (E_RNA) where: Base-Base interactions energy: -32.737 where: short stacking energy: -20.293 Base-Backbone interact. energy: -0.164 local terms energy: -53.519667 where: bonds (distance) C4'-P energy: -15.285 bonds (distance) P-C4' energy: -15.238 flat angles C4'-P-C4' energy: -11.556 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -4.873 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: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -86.826369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.826369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.826369 (E_RNA) where: Base-Base interactions energy: -31.986 where: short stacking energy: -32.386 Base-Backbone interact. energy: 1.684 local terms energy: -56.525013 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -18.737 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -85.461866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.461866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.461866 (E_RNA) where: Base-Base interactions energy: -29.007 where: short stacking energy: -29.007 Base-Backbone interact. energy: -0.299 local terms energy: -56.155939 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -15.420 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -10.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -222.804971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.804971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.804971 (E_RNA) where: Base-Base interactions energy: -147.501 where: short stacking energy: -57.519 Base-Backbone interact. energy: -0.592 local terms energy: -74.712032 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -16.781 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -19.039 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: 245 Temperature: 0.950000 Total energy: -230.178587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.178587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.178587 (E_RNA) where: Base-Base interactions energy: -158.868 where: short stacking energy: -58.361 Base-Backbone interact. energy: -0.218 local terms energy: -71.092177 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -10.969 tors. eta vs tors. theta energy: -13.344 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: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -204.969743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.969743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.969743 (E_RNA) where: Base-Base interactions energy: -135.596 where: short stacking energy: -53.249 Base-Backbone interact. energy: -0.422 local terms energy: -68.952137 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -15.008 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -13.116 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: 3 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -208.520936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.520936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.520936 (E_RNA) where: Base-Base interactions energy: -137.057 where: short stacking energy: -64.716 Base-Backbone interact. energy: -0.289 local terms energy: -71.175701 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -14.278 flat angles P-C4'-P energy: -8.218 tors. eta vs tors. theta energy: -20.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -202.801920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.801920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.801920 (E_RNA) where: Base-Base interactions energy: -131.728 where: short stacking energy: -53.962 Base-Backbone interact. energy: -0.581 local terms energy: -70.492784 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -17.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -186.344125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.344125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.344125 (E_RNA) where: Base-Base interactions energy: -125.405 where: short stacking energy: -56.979 Base-Backbone interact. energy: -0.002 local terms energy: -60.937708 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -201.431272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.431272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.431272 (E_RNA) where: Base-Base interactions energy: -134.235 where: short stacking energy: -60.578 Base-Backbone interact. energy: -0.646 local terms energy: -66.550663 where: bonds (distance) C4'-P energy: -10.758 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -21.227 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: 4 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -91.157589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.157589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.157589 (E_RNA) where: Base-Base interactions energy: -45.416 where: short stacking energy: -43.477 Base-Backbone interact. energy: -0.006 local terms energy: -45.735834 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -6.931 tors. eta vs tors. theta energy: -4.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -81.698651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.698651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.698651 (E_RNA) where: Base-Base interactions energy: -37.530 where: short stacking energy: -22.848 Base-Backbone interact. energy: 0.734 local terms energy: -44.902555 where: bonds (distance) C4'-P energy: -9.914 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -0.412 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: 7 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -76.238214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.238214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.238214 (E_RNA) where: Base-Base interactions energy: -24.873 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.306 local terms energy: -51.059014 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -3.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -214.600105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.600105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.600105 (E_RNA) where: Base-Base interactions energy: -142.245 where: short stacking energy: -55.314 Base-Backbone interact. energy: -0.605 local terms energy: -71.750083 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -13.045 tors. eta vs tors. theta energy: -14.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -221.795446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.795446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.795446 (E_RNA) where: Base-Base interactions energy: -153.247 where: short stacking energy: -61.638 Base-Backbone interact. energy: -0.464 local terms energy: -68.083771 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -15.070 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: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -219.267139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.267139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.267139 (E_RNA) where: Base-Base interactions energy: -141.790 where: short stacking energy: -67.581 Base-Backbone interact. energy: -2.763 local terms energy: -74.714480 where: bonds (distance) C4'-P energy: -13.565 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -19.836 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: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -209.284260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.284260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.284260 (E_RNA) where: Base-Base interactions energy: -135.806 where: short stacking energy: -62.577 Base-Backbone interact. energy: -2.573 local terms energy: -70.904585 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -19.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -192.302215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.302215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.302215 (E_RNA) where: Base-Base interactions energy: -121.550 where: short stacking energy: -51.276 Base-Backbone interact. energy: -0.110 local terms energy: -70.641760 where: bonds (distance) C4'-P energy: -15.719 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -11.404 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -189.870796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.870796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.870796 (E_RNA) where: Base-Base interactions energy: -129.408 where: short stacking energy: -52.106 Base-Backbone interact. energy: -0.080 local terms energy: -60.382679 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -12.145 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -13.729 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: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -186.610911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.610911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.610911 (E_RNA) where: Base-Base interactions energy: -118.102 where: short stacking energy: -52.161 Base-Backbone interact. energy: -0.039 local terms energy: -68.470162 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -16.108 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -84.676534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.676534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.676534 (E_RNA) where: Base-Base interactions energy: -38.830 where: short stacking energy: -31.295 Base-Backbone interact. energy: -0.337 local terms energy: -45.509178 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -11.082 flat angles C4'-P-C4' energy: -10.464 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -73.071710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.071710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.071710 (E_RNA) where: Base-Base interactions energy: -24.267 where: short stacking energy: -16.543 Base-Backbone interact. energy: -0.127 local terms energy: -48.677554 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: 2.395 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: 7 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -78.282106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.282106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.282106 (E_RNA) where: Base-Base interactions energy: -30.080 where: short stacking energy: -30.080 Base-Backbone interact. energy: -0.069 local terms energy: -48.132293 where: bonds (distance) C4'-P energy: -13.744 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -6.317 tors. eta vs tors. theta energy: -7.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -214.273952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.273952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.273952 (E_RNA) where: Base-Base interactions energy: -139.343 where: short stacking energy: -58.618 Base-Backbone interact. energy: 0.145 local terms energy: -75.075703 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -16.217 flat angles C4'-P-C4' energy: -16.202 flat angles P-C4'-P energy: -12.088 tors. eta vs tors. theta energy: -17.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -221.027656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.027656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.027656 (E_RNA) where: Base-Base interactions energy: -154.393 where: short stacking energy: -57.072 Base-Backbone interact. energy: 0.622 local terms energy: -67.256653 where: bonds (distance) C4'-P energy: -12.133 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -216.794032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.794032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.794032 (E_RNA) where: Base-Base interactions energy: -140.055 where: short stacking energy: -65.642 Base-Backbone interact. energy: -0.124 local terms energy: -76.615071 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -16.960 flat angles P-C4'-P energy: -11.046 tors. eta vs tors. theta energy: -16.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -210.454307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.454307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.454307 (E_RNA) where: Base-Base interactions energy: -137.307 where: short stacking energy: -61.579 Base-Backbone interact. energy: -2.646 local terms energy: -70.501689 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -16.101 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -18.566 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: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -199.585595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.585595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.585595 (E_RNA) where: Base-Base interactions energy: -129.121 where: short stacking energy: -57.124 Base-Backbone interact. energy: -0.002 local terms energy: -70.462865 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -12.535 tors. eta vs tors. theta energy: -15.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -195.471764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.471764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.471764 (E_RNA) where: Base-Base interactions energy: -131.038 where: short stacking energy: -56.776 Base-Backbone interact. energy: -0.105 local terms energy: -64.329085 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -7.111 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -18.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -189.469370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.469370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.469370 (E_RNA) where: Base-Base interactions energy: -121.858 where: short stacking energy: -62.321 Base-Backbone interact. energy: -0.005 local terms energy: -67.605778 where: bonds (distance) C4'-P energy: -9.487 bonds (distance) P-C4' energy: -10.013 flat angles C4'-P-C4' energy: -15.747 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -20.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -89.459824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.459824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.459824 (E_RNA) where: Base-Base interactions energy: -40.949 where: short stacking energy: -28.865 Base-Backbone interact. energy: -0.526 local terms energy: -47.984820 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -3.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -72.169065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.169065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.169065 (E_RNA) where: Base-Base interactions energy: -23.285 where: short stacking energy: -23.285 Base-Backbone interact. energy: 0.312 local terms energy: -49.195741 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -75.295757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.295757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.295757 (E_RNA) where: Base-Base interactions energy: -33.222 where: short stacking energy: -33.222 Base-Backbone interact. energy: -0.097 local terms energy: -41.976368 where: bonds (distance) C4'-P energy: -5.356 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -10.286 flat angles P-C4'-P energy: -8.693 tors. eta vs tors. theta energy: -3.921 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: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -219.690871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.690871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.690871 (E_RNA) where: Base-Base interactions energy: -136.660 where: short stacking energy: -60.951 Base-Backbone interact. energy: -0.000 local terms energy: -83.030362 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -18.050 flat angles C4'-P-C4' energy: -16.308 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -20.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -211.264460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.264460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.264460 (E_RNA) where: Base-Base interactions energy: -138.611 where: short stacking energy: -58.243 Base-Backbone interact. energy: -0.312 local terms energy: -72.341787 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -16.489 flat angles P-C4'-P energy: -11.043 tors. eta vs tors. theta energy: -17.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -215.581464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.581464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.581464 (E_RNA) where: Base-Base interactions energy: -134.211 where: short stacking energy: -62.460 Base-Backbone interact. energy: -1.996 local terms energy: -79.375015 where: bonds (distance) C4'-P energy: -15.184 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -16.391 flat angles P-C4'-P energy: -12.124 tors. eta vs tors. theta energy: -20.371 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: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -208.350322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.350322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.350322 (E_RNA) where: Base-Base interactions energy: -132.849 where: short stacking energy: -61.056 Base-Backbone interact. energy: -0.003 local terms energy: -75.499010 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -17.063 flat angles P-C4'-P energy: -13.109 tors. eta vs tors. theta energy: -20.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -204.327664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.327664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.327664 (E_RNA) where: Base-Base interactions energy: -129.415 where: short stacking energy: -58.897 Base-Backbone interact. energy: 0.280 local terms energy: -75.192124 where: bonds (distance) C4'-P energy: -16.393 bonds (distance) P-C4' energy: -14.941 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -19.426 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: 6 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -199.038620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.038620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.038620 (E_RNA) where: Base-Base interactions energy: -130.126 where: short stacking energy: -56.927 Base-Backbone interact. energy: -0.062 local terms energy: -68.849848 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -11.682 tors. eta vs tors. theta energy: -18.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -185.000584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.000584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.000584 (E_RNA) where: Base-Base interactions energy: -121.630 where: short stacking energy: -51.214 Base-Backbone interact. energy: -0.109 local terms energy: -63.261231 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -17.134 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -13.573 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: 4 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -77.038205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.038205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.038205 (E_RNA) where: Base-Base interactions energy: -32.534 where: short stacking energy: -29.746 Base-Backbone interact. energy: -0.011 local terms energy: -44.493285 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -68.660629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.660629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.660629 (E_RNA) where: Base-Base interactions energy: -23.771 where: short stacking energy: -10.982 Base-Backbone interact. energy: -0.576 local terms energy: -44.314407 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -10.566 flat angles C4'-P-C4' energy: -10.294 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -1.164 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -72.554042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.554042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.554042 (E_RNA) where: Base-Base interactions energy: -22.576 where: short stacking energy: -20.218 Base-Backbone interact. energy: -0.042 local terms energy: -49.936098 where: bonds (distance) C4'-P energy: -10.793 bonds (distance) P-C4' energy: -10.523 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -9.027 tors. eta vs tors. theta energy: -4.096 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: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -215.346826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.346826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.346826 (E_RNA) where: Base-Base interactions energy: -143.118 where: short stacking energy: -66.410 Base-Backbone interact. energy: -0.796 local terms energy: -71.433127 where: bonds (distance) C4'-P energy: -14.999 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -211.064088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.064088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.064088 (E_RNA) where: Base-Base interactions energy: -141.902 where: short stacking energy: -59.835 Base-Backbone interact. energy: -0.475 local terms energy: -68.687668 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -219.876484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.876484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.876484 (E_RNA) where: Base-Base interactions energy: -160.581 where: short stacking energy: -55.404 Base-Backbone interact. energy: -0.142 local terms energy: -59.153691 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -13.971 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -14.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -206.347194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.347194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.347194 (E_RNA) where: Base-Base interactions energy: -143.986 where: short stacking energy: -59.408 Base-Backbone interact. energy: -0.360 local terms energy: -62.001986 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -12.034 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -213.539746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.539746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.539746 (E_RNA) where: Base-Base interactions energy: -136.852 where: short stacking energy: -63.375 Base-Backbone interact. energy: -0.001 local terms energy: -76.686647 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -11.658 tors. eta vs tors. theta energy: -21.700 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: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -202.505042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.505042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.505042 (E_RNA) where: Base-Base interactions energy: -135.008 where: short stacking energy: -63.616 Base-Backbone interact. energy: -0.004 local terms energy: -67.492310 where: bonds (distance) C4'-P energy: -9.186 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -22.066 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: 6 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -181.171772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.171772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.171772 (E_RNA) where: Base-Base interactions energy: -119.257 where: short stacking energy: -52.052 Base-Backbone interact. energy: -0.226 local terms energy: -61.688987 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -10.339 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -13.926 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: 8, replica: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -80.663144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.663144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.663144 (E_RNA) where: Base-Base interactions energy: -30.062 where: short stacking energy: -28.401 Base-Backbone interact. energy: 0.423 local terms energy: -51.023957 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -86.005961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.005961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.005961 (E_RNA) where: Base-Base interactions energy: -47.012 where: short stacking energy: -21.843 Base-Backbone interact. energy: -0.225 local terms energy: -38.768282 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: 0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -82.333221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.333221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.333221 (E_RNA) where: Base-Base interactions energy: -33.770 where: short stacking energy: -22.730 Base-Backbone interact. energy: -0.589 local terms energy: -47.974099 where: bonds (distance) C4'-P energy: -16.178 bonds (distance) P-C4' energy: -15.925 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: 1.936 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: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -223.987359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.987359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.987359 (E_RNA) where: Base-Base interactions energy: -155.615 where: short stacking energy: -62.309 Base-Backbone interact. energy: -1.376 local terms energy: -66.996373 where: bonds (distance) C4'-P energy: -14.942 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -18.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -216.025509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.025509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.025509 (E_RNA) where: Base-Base interactions energy: -141.406 where: short stacking energy: -68.358 Base-Backbone interact. energy: -0.343 local terms energy: -74.277291 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -12.542 tors. eta vs tors. theta energy: -21.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -210.959631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.959631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.959631 (E_RNA) where: Base-Base interactions energy: -141.014 where: short stacking energy: -50.215 Base-Backbone interact. energy: -0.106 local terms energy: -69.839183 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -15.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -212.027630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.027630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.027630 (E_RNA) where: Base-Base interactions energy: -152.370 where: short stacking energy: -51.341 Base-Backbone interact. energy: -0.418 local terms energy: -59.239058 where: bonds (distance) C4'-P energy: -15.159 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -7.366 tors. eta vs tors. theta energy: -12.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -190.097759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.097759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.097759 (E_RNA) where: Base-Base interactions energy: -122.276 where: short stacking energy: -52.074 Base-Backbone interact. energy: -0.844 local terms energy: -66.977435 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -16.872 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -13.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -211.299749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.299749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.299749 (E_RNA) where: Base-Base interactions energy: -138.010 where: short stacking energy: -64.373 Base-Backbone interact. energy: -0.001 local terms energy: -73.289514 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -188.508406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.508406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.508406 (E_RNA) where: Base-Base interactions energy: -135.130 where: short stacking energy: -45.955 Base-Backbone interact. energy: -0.061 local terms energy: -53.316968 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -9.822 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -78.684529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.684529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.684529 (E_RNA) where: Base-Base interactions energy: -28.712 where: short stacking energy: -17.116 Base-Backbone interact. energy: -0.133 local terms energy: -49.839096 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -2.811 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: 250 Temperature: 1.300000 Total energy: -106.611655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.611655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.611655 (E_RNA) where: Base-Base interactions energy: -64.316 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.284 local terms energy: -42.011368 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -9.828 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -77.327676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.327676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.327676 (E_RNA) where: Base-Base interactions energy: -40.500 where: short stacking energy: -34.053 Base-Backbone interact. energy: 0.126 local terms energy: -36.953505 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -218.343482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.343482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.343482 (E_RNA) where: Base-Base interactions energy: -143.849 where: short stacking energy: -66.382 Base-Backbone interact. energy: -0.012 local terms energy: -74.483109 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -15.902 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -18.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -218.992899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.992899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.992899 (E_RNA) where: Base-Base interactions energy: -142.180 where: short stacking energy: -67.814 Base-Backbone interact. energy: -0.005 local terms energy: -76.807503 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -211.307586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.307586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.307586 (E_RNA) where: Base-Base interactions energy: -135.412 where: short stacking energy: -60.401 Base-Backbone interact. energy: -0.285 local terms energy: -75.610161 where: bonds (distance) C4'-P energy: -15.349 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -20.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -201.955162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.955162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.955162 (E_RNA) where: Base-Base interactions energy: -130.867 where: short stacking energy: -57.042 Base-Backbone interact. energy: -0.149 local terms energy: -70.938530 where: bonds (distance) C4'-P energy: -16.319 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -18.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -203.694716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.694716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.694716 (E_RNA) where: Base-Base interactions energy: -137.240 where: short stacking energy: -64.281 Base-Backbone interact. energy: -1.621 local terms energy: -64.833755 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -203.373462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.373462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.373462 (E_RNA) where: Base-Base interactions energy: -135.070 where: short stacking energy: -60.291 Base-Backbone interact. energy: -0.004 local terms energy: -68.299195 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -20.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -181.367572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.367572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.367572 (E_RNA) where: Base-Base interactions energy: -123.613 where: short stacking energy: -58.901 Base-Backbone interact. energy: -0.061 local terms energy: -57.693026 where: bonds (distance) C4'-P energy: -10.265 bonds (distance) P-C4' energy: -14.195 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -17.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -112.773815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.773815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.773815 (E_RNA) where: Base-Base interactions energy: -61.254 where: short stacking energy: -30.805 Base-Backbone interact. energy: -0.552 local terms energy: -50.967657 where: bonds (distance) C4'-P energy: -11.845 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -9.414 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -90.175481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.175481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.175481 (E_RNA) where: Base-Base interactions energy: -42.720 where: short stacking energy: -33.117 Base-Backbone interact. energy: -0.086 local terms energy: -47.369115 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -9.903 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -3.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -68.679429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.679429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.679429 (E_RNA) where: Base-Base interactions energy: -22.510 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.140 local terms energy: -46.030235 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -9.264 tors. eta vs tors. theta energy: 1.400 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: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -223.920057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.920057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.920057 (E_RNA) where: Base-Base interactions energy: -148.376 where: short stacking energy: -66.148 Base-Backbone interact. energy: -0.132 local terms energy: -75.412396 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -18.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -221.193852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.193852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.193852 (E_RNA) where: Base-Base interactions energy: -141.870 where: short stacking energy: -64.151 Base-Backbone interact. energy: -1.468 local terms energy: -77.855693 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -21.162 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: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -201.184242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.184242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.184242 (E_RNA) where: Base-Base interactions energy: -143.748 where: short stacking energy: -55.923 Base-Backbone interact. energy: 1.475 local terms energy: -58.911267 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -205.266646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.266646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.266646 (E_RNA) where: Base-Base interactions energy: -140.095 where: short stacking energy: -61.291 Base-Backbone interact. energy: -0.580 local terms energy: -64.592520 where: bonds (distance) C4'-P energy: -13.673 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -11.348 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -19.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -185.964350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.964350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.964350 (E_RNA) where: Base-Base interactions energy: -127.150 where: short stacking energy: -56.610 Base-Backbone interact. energy: -0.170 local terms energy: -58.644615 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -12.315 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -18.678 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: 2 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -205.083931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.083931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.083931 (E_RNA) where: Base-Base interactions energy: -138.399 where: short stacking energy: -59.351 Base-Backbone interact. energy: 0.443 local terms energy: -67.127749 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -12.646 tors. eta vs tors. theta energy: -17.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -86.762705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.762705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.762705 (E_RNA) where: Base-Base interactions energy: -27.818 where: short stacking energy: -27.818 Base-Backbone interact. energy: -0.210 local terms energy: -58.735297 where: bonds (distance) C4'-P energy: -15.848 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -187.484958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.484958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.484958 (E_RNA) where: Base-Base interactions energy: -121.637 where: short stacking energy: -50.133 Base-Backbone interact. energy: -0.521 local terms energy: -65.327487 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -92.388929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.388929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.388929 (E_RNA) where: Base-Base interactions energy: -46.041 where: short stacking energy: -24.604 Base-Backbone interact. energy: 0.082 local terms energy: -46.429293 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -12.992 flat angles C4'-P-C4' energy: -12.449 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -73.521698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.521698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.521698 (E_RNA) where: Base-Base interactions energy: -27.572 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.610 local terms energy: -45.340070 where: bonds (distance) C4'-P energy: -11.810 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -226.261681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.261681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.261681 (E_RNA) where: Base-Base interactions energy: -146.298 where: short stacking energy: -70.564 Base-Backbone interact. energy: -0.412 local terms energy: -79.551465 where: bonds (distance) C4'-P energy: -14.178 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -12.349 tors. eta vs tors. theta energy: -23.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -216.113396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.113396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.113396 (E_RNA) where: Base-Base interactions energy: -138.706 where: short stacking energy: -65.022 Base-Backbone interact. energy: -0.239 local terms energy: -77.168903 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -13.307 flat angles C4'-P-C4' energy: -17.671 flat angles P-C4'-P energy: -10.953 tors. eta vs tors. theta energy: -22.354 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: 3, replica: 5 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -209.608645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.608645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.608645 (E_RNA) where: Base-Base interactions energy: -139.418 where: short stacking energy: -61.472 Base-Backbone interact. energy: -0.005 local terms energy: -70.185537 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -20.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -202.077948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.077948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.077948 (E_RNA) where: Base-Base interactions energy: -135.480 where: short stacking energy: -43.756 Base-Backbone interact. energy: -0.183 local terms energy: -66.415225 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -10.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -199.318593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.318593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.318593 (E_RNA) where: Base-Base interactions energy: -132.922 where: short stacking energy: -60.927 Base-Backbone interact. energy: 0.344 local terms energy: -66.741325 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -20.419 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: 2 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -200.089107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.089107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.089107 (E_RNA) where: Base-Base interactions energy: -138.962 where: short stacking energy: -61.310 Base-Backbone interact. energy: -0.003 local terms energy: -61.123672 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -10.995 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -18.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -96.233198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.233198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.233198 (E_RNA) where: Base-Base interactions energy: -39.721 where: short stacking energy: -39.721 Base-Backbone interact. energy: -0.073 local terms energy: -56.438288 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -11.407 tors. eta vs tors. theta energy: -4.833 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: 8, replica: 6 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -186.758657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.758657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.758657 (E_RNA) where: Base-Base interactions energy: -118.264 where: short stacking energy: -52.589 Base-Backbone interact. energy: -0.064 local terms energy: -68.430658 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -12.693 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: 8 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -81.467234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.467234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.467234 (E_RNA) where: Base-Base interactions energy: -33.041 where: short stacking energy: -30.194 Base-Backbone interact. energy: -0.014 local terms energy: -48.411903 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -3.693 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: 4 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -67.697832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.697832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.697832 (E_RNA) where: Base-Base interactions energy: -24.831 where: short stacking energy: -24.391 Base-Backbone interact. energy: -0.223 local terms energy: -42.643599 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: 0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -222.169861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.169861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.169861 (E_RNA) where: Base-Base interactions energy: -142.540 where: short stacking energy: -58.606 Base-Backbone interact. energy: -0.029 local terms energy: -79.601365 where: bonds (distance) C4'-P energy: -14.807 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -17.131 flat angles P-C4'-P energy: -13.181 tors. eta vs tors. theta energy: -18.988 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: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -220.098615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.098615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.098615 (E_RNA) where: Base-Base interactions energy: -149.269 where: short stacking energy: -62.484 Base-Backbone interact. energy: -0.005 local terms energy: -70.824557 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -14.752 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -12.115 tors. eta vs tors. theta energy: -16.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -210.551146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.551146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.551146 (E_RNA) where: Base-Base interactions energy: -139.200 where: short stacking energy: -52.747 Base-Backbone interact. energy: -0.472 local terms energy: -70.879039 where: bonds (distance) C4'-P energy: -13.970 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -206.260720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.260720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.260720 (E_RNA) where: Base-Base interactions energy: -132.528 where: short stacking energy: -61.898 Base-Backbone interact. energy: -0.654 local terms energy: -73.078821 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.818 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -18.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -203.831990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.831990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.831990 (E_RNA) where: Base-Base interactions energy: -133.860 where: short stacking energy: -58.079 Base-Backbone interact. energy: -0.280 local terms energy: -69.692126 where: bonds (distance) C4'-P energy: -10.669 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -17.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -197.126454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.126454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.126454 (E_RNA) where: Base-Base interactions energy: -125.133 where: short stacking energy: -56.909 Base-Backbone interact. energy: -1.910 local terms energy: -70.083166 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -19.623 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: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -190.122648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.122648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.122648 (E_RNA) where: Base-Base interactions energy: -127.845 where: short stacking energy: -51.354 Base-Backbone interact. energy: 0.138 local terms energy: -62.416044 where: bonds (distance) C4'-P energy: -10.312 bonds (distance) P-C4' energy: -13.739 flat angles C4'-P-C4' energy: -13.424 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -73.366368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.366368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.366368 (E_RNA) where: Base-Base interactions energy: -27.315 where: short stacking energy: -23.482 Base-Backbone interact. energy: -0.097 local terms energy: -45.953603 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -10.879 tors. eta vs tors. theta energy: -1.545 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: 4 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -80.781644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.781644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.781644 (E_RNA) where: Base-Base interactions energy: -27.232 where: short stacking energy: -27.232 Base-Backbone interact. energy: 0.144 local terms energy: -53.694150 where: bonds (distance) C4'-P energy: -14.132 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -8.875 flat angles P-C4'-P energy: -12.753 tors. eta vs tors. theta energy: -5.090 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: 8 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -71.837355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.837355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.837355 (E_RNA) where: Base-Base interactions energy: -24.671 where: short stacking energy: -20.750 Base-Backbone interact. energy: -0.037 local terms energy: -47.130227 where: bonds (distance) C4'-P energy: -9.762 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -3.366 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: 1, replica: 1 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -227.010329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.010329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.010329 (E_RNA) where: Base-Base interactions energy: -151.368 where: short stacking energy: -63.219 Base-Backbone interact. energy: -0.009 local terms energy: -75.633066 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -13.600 tors. eta vs tors. theta energy: -18.281 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: 9 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -216.416286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.416286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.416286 (E_RNA) where: Base-Base interactions energy: -143.875 where: short stacking energy: -72.251 Base-Backbone interact. energy: -0.174 local terms energy: -72.368055 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -15.523 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -19.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -215.029722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.029722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.029722 (E_RNA) where: Base-Base interactions energy: -147.978 where: short stacking energy: -67.205 Base-Backbone interact. energy: -0.036 local terms energy: -67.016283 where: bonds (distance) C4'-P energy: -9.500 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -15.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -217.759215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.759215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.759215 (E_RNA) where: Base-Base interactions energy: -142.685 where: short stacking energy: -63.849 Base-Backbone interact. energy: -1.526 local terms energy: -73.548216 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -13.577 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -21.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -213.547758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.547758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.547758 (E_RNA) where: Base-Base interactions energy: -148.182 where: short stacking energy: -58.507 Base-Backbone interact. energy: -0.771 local terms energy: -64.594329 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -11.845 tors. eta vs tors. theta energy: -14.056 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: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -188.056534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.056534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.056534 (E_RNA) where: Base-Base interactions energy: -127.373 where: short stacking energy: -56.036 Base-Backbone interact. energy: -0.114 local terms energy: -60.569244 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -14.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -187.364133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.364133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.364133 (E_RNA) where: Base-Base interactions energy: -124.329 where: short stacking energy: -53.211 Base-Backbone interact. energy: -0.173 local terms energy: -62.861843 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -10.137 tors. eta vs tors. theta energy: -11.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -78.625947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.625947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.625947 (E_RNA) where: Base-Base interactions energy: -23.774 where: short stacking energy: -23.774 Base-Backbone interact. energy: -0.177 local terms energy: -54.674096 where: bonds (distance) C4'-P energy: -12.480 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -5.413 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: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -74.481165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.481165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.481165 (E_RNA) where: Base-Base interactions energy: -25.222 where: short stacking energy: -25.222 Base-Backbone interact. energy: -0.158 local terms energy: -49.101047 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -11.072 flat angles P-C4'-P energy: -7.298 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -78.056047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.056047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.056047 (E_RNA) where: Base-Base interactions energy: -28.026 where: short stacking energy: -25.938 Base-Backbone interact. energy: -0.173 local terms energy: -49.857483 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -7.273 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -225.144470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.144470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.144470 (E_RNA) where: Base-Base interactions energy: -147.018 where: short stacking energy: -64.587 Base-Backbone interact. energy: -1.057 local terms energy: -77.069461 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -12.365 tors. eta vs tors. theta energy: -20.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -216.864543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.864543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.864543 (E_RNA) where: Base-Base interactions energy: -145.330 where: short stacking energy: -67.843 Base-Backbone interact. energy: -0.229 local terms energy: -71.305484 where: bonds (distance) C4'-P energy: -13.450 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -13.065 tors. eta vs tors. theta energy: -19.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -209.445594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.445594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.445594 (E_RNA) where: Base-Base interactions energy: -136.615 where: short stacking energy: -60.075 Base-Backbone interact. energy: -0.013 local terms energy: -72.817964 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -17.175 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: 4, replica: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -214.040122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.040122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.040122 (E_RNA) where: Base-Base interactions energy: -139.840 where: short stacking energy: -56.113 Base-Backbone interact. energy: -0.139 local terms energy: -74.061764 where: bonds (distance) C4'-P energy: -15.023 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -13.523 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -216.760827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.760827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.760827 (E_RNA) where: Base-Base interactions energy: -148.296 where: short stacking energy: -48.504 Base-Backbone interact. energy: -0.290 local terms energy: -68.174627 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -16.983 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -13.771 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: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -195.564307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.564307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.564307 (E_RNA) where: Base-Base interactions energy: -134.824 where: short stacking energy: -57.377 Base-Backbone interact. energy: -0.682 local terms energy: -60.057831 where: bonds (distance) C4'-P energy: -9.574 bonds (distance) P-C4' energy: -13.999 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -15.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -200.524901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.524901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.524901 (E_RNA) where: Base-Base interactions energy: -131.067 where: short stacking energy: -64.109 Base-Backbone interact. energy: -0.013 local terms energy: -69.445103 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -11.307 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -19.506 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: 4 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -68.800366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.800366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.800366 (E_RNA) where: Base-Base interactions energy: -22.304 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.050 local terms energy: -46.446820 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -17.457 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -9.882 tors. eta vs tors. theta energy: 0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -81.027906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.027906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.027906 (E_RNA) where: Base-Base interactions energy: -32.404 where: short stacking energy: -32.404 Base-Backbone interact. energy: -0.134 local terms energy: -48.489848 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -78.138917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.138917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.138917 (E_RNA) where: Base-Base interactions energy: -30.651 where: short stacking energy: -25.607 Base-Backbone interact. energy: -0.241 local terms energy: -47.246114 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: 2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -220.321701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.321701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.321701 (E_RNA) where: Base-Base interactions energy: -153.476 where: short stacking energy: -60.840 Base-Backbone interact. energy: -0.698 local terms energy: -66.147641 where: bonds (distance) C4'-P energy: -9.193 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -15.088 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -15.661 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: 1 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -209.945352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.945352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.945352 (E_RNA) where: Base-Base interactions energy: -134.760 where: short stacking energy: -62.227 Base-Backbone interact. energy: -1.865 local terms energy: -73.320319 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -11.078 tors. eta vs tors. theta energy: -21.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -216.352998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.352998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.352998 (E_RNA) where: Base-Base interactions energy: -146.282 where: short stacking energy: -67.945 Base-Backbone interact. energy: -2.466 local terms energy: -67.604669 where: bonds (distance) C4'-P energy: -10.513 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -16.042 flat angles P-C4'-P energy: -8.976 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: 4, replica: 5 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -211.584420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.584420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.584420 (E_RNA) where: Base-Base interactions energy: -152.852 where: short stacking energy: -56.033 Base-Backbone interact. energy: -0.717 local terms energy: -58.015662 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -15.543 flat angles C4'-P-C4' energy: -10.483 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -12.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -204.380836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.380836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.380836 (E_RNA) where: Base-Base interactions energy: -144.883 where: short stacking energy: -46.690 Base-Backbone interact. energy: -0.297 local terms energy: -59.201604 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -11.291 flat angles C4'-P-C4' energy: -11.028 flat angles P-C4'-P energy: -7.176 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: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -202.217380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.217380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.217380 (E_RNA) where: Base-Base interactions energy: -140.990 where: short stacking energy: -60.292 Base-Backbone interact. energy: -0.591 local terms energy: -60.636171 where: bonds (distance) C4'-P energy: -10.481 bonds (distance) P-C4' energy: -10.343 flat angles C4'-P-C4' energy: -11.637 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -19.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -191.701795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.701795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.701795 (E_RNA) where: Base-Base interactions energy: -128.453 where: short stacking energy: -62.687 Base-Backbone interact. energy: -0.015 local terms energy: -63.233401 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -6.881 tors. eta vs tors. theta energy: -20.305 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: 4 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -87.976728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.976728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.976728 (E_RNA) where: Base-Base interactions energy: -37.971 where: short stacking energy: -37.971 Base-Backbone interact. energy: -0.159 local terms energy: -49.846640 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -13.344 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -5.655 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: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -76.479552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.479552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.479552 (E_RNA) where: Base-Base interactions energy: -30.177 where: short stacking energy: -30.177 Base-Backbone interact. energy: -0.266 local terms energy: -46.036887 where: bonds (distance) C4'-P energy: -9.823 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -72.839630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.839630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.839630 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -14.948 Base-Backbone interact. energy: -0.287 local terms energy: -52.426396 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -215.480191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.480191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.480191 (E_RNA) where: Base-Base interactions energy: -143.015 where: short stacking energy: -67.083 Base-Backbone interact. energy: -0.439 local terms energy: -72.025495 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -16.310 flat angles P-C4'-P energy: -12.088 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -207.942440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.942440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.942440 (E_RNA) where: Base-Base interactions energy: -141.574 where: short stacking energy: -46.257 Base-Backbone interact. energy: -0.249 local terms energy: -66.119767 where: bonds (distance) C4'-P energy: -17.502 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -13.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -211.830963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.830963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.830963 (E_RNA) where: Base-Base interactions energy: -143.414 where: short stacking energy: -55.676 Base-Backbone interact. energy: -0.190 local terms energy: -68.227202 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -15.454 flat angles P-C4'-P energy: -10.885 tors. eta vs tors. theta energy: -14.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -205.362653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.362653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.362653 (E_RNA) where: Base-Base interactions energy: -138.728 where: short stacking energy: -62.024 Base-Backbone interact. energy: -0.174 local terms energy: -66.459798 where: bonds (distance) C4'-P energy: -8.804 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -21.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -203.378549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.378549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.378549 (E_RNA) where: Base-Base interactions energy: -135.155 where: short stacking energy: -52.954 Base-Backbone interact. energy: -0.050 local terms energy: -68.173063 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -16.291 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -12.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -198.251109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.251109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.251109 (E_RNA) where: Base-Base interactions energy: -134.633 where: short stacking energy: -56.058 Base-Backbone interact. energy: -0.250 local terms energy: -63.368326 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -15.992 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: 6 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -192.272651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.272651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.272651 (E_RNA) where: Base-Base interactions energy: -126.683 where: short stacking energy: -54.593 Base-Backbone interact. energy: -0.606 local terms energy: -64.983842 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -10.067 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -18.550 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: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -102.473868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.473868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.473868 (E_RNA) where: Base-Base interactions energy: -53.288 where: short stacking energy: -20.156 Base-Backbone interact. energy: -0.254 local terms energy: -48.931499 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -10.404 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -0.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -72.920909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.920909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.920909 (E_RNA) where: Base-Base interactions energy: -23.385 where: short stacking energy: -23.406 Base-Backbone interact. energy: -0.104 local terms energy: -49.432049 where: bonds (distance) C4'-P energy: -9.432 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -4.558 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: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -70.197583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.197583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.197583 (E_RNA) where: Base-Base interactions energy: -28.173 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.155 local terms energy: -41.870333 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -2.882 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: 1, replica: 1 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -223.267105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.267105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.267105 (E_RNA) where: Base-Base interactions energy: -145.719 where: short stacking energy: -68.060 Base-Backbone interact. energy: 0.012 local terms energy: -77.560291 where: bonds (distance) C4'-P energy: -10.551 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -17.447 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -21.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -225.575549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.575549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.575549 (E_RNA) where: Base-Base interactions energy: -150.365 where: short stacking energy: -56.195 Base-Backbone interact. energy: -0.458 local terms energy: -74.753172 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -15.768 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -13.194 tors. eta vs tors. theta energy: -16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -211.229426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.229426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.229426 (E_RNA) where: Base-Base interactions energy: -148.919 where: short stacking energy: -61.948 Base-Backbone interact. energy: -2.404 local terms energy: -59.906243 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -8.383 tors. eta vs tors. theta energy: -18.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -200.623001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.623001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.623001 (E_RNA) where: Base-Base interactions energy: -134.179 where: short stacking energy: -58.007 Base-Backbone interact. energy: -0.018 local terms energy: -66.425339 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -12.640 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -8.737 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -191.947812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.947812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.947812 (E_RNA) where: Base-Base interactions energy: -121.487 where: short stacking energy: -55.748 Base-Backbone interact. energy: -0.027 local terms energy: -70.433953 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -13.728 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -18.223 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: 3 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -190.378413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.378413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.378413 (E_RNA) where: Base-Base interactions energy: -128.220 where: short stacking energy: -52.957 Base-Backbone interact. energy: 0.345 local terms energy: -62.502971 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -19.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -147.295094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.295094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.295094 (E_RNA) where: Base-Base interactions energy: -84.167 where: short stacking energy: -42.864 Base-Backbone interact. energy: -0.570 local terms energy: -62.558355 where: bonds (distance) C4'-P energy: -8.001 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -13.196 tors. eta vs tors. theta energy: -11.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -90.869061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.869061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.869061 (E_RNA) where: Base-Base interactions energy: -38.679 where: short stacking energy: -31.902 Base-Backbone interact. energy: -0.081 local terms energy: -52.109256 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -10.924 tors. eta vs tors. theta energy: -6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -82.744168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.744168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.744168 (E_RNA) where: Base-Base interactions energy: -35.737 where: short stacking energy: -35.737 Base-Backbone interact. energy: -0.832 local terms energy: -46.174812 where: bonds (distance) C4'-P energy: -9.437 bonds (distance) P-C4' energy: -15.851 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: 0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -73.976719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.976719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.976719 (E_RNA) where: Base-Base interactions energy: -32.801 where: short stacking energy: -10.183 Base-Backbone interact. energy: -0.519 local terms energy: -40.656332 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: 2.420 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: 5 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -225.212930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.212930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.212930 (E_RNA) where: Base-Base interactions energy: -149.425 where: short stacking energy: -56.365 Base-Backbone interact. energy: -0.221 local terms energy: -75.567461 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -18.045 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -17.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -222.419713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.419713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.419713 (E_RNA) where: Base-Base interactions energy: -147.859 where: short stacking energy: -61.920 Base-Backbone interact. energy: -0.000 local terms energy: -74.560350 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -12.941 flat angles C4'-P-C4' energy: -16.615 flat angles P-C4'-P energy: -11.438 tors. eta vs tors. theta energy: -19.661 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: 260 Temperature: 1.000000 Total energy: -207.035796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.035796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.035796 (E_RNA) where: Base-Base interactions energy: -138.021 where: short stacking energy: -62.687 Base-Backbone interact. energy: -0.614 local terms energy: -68.401763 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -18.997 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: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -209.787173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.787173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.787173 (E_RNA) where: Base-Base interactions energy: -135.204 where: short stacking energy: -60.950 Base-Backbone interact. energy: -0.000 local terms energy: -74.583253 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -17.824 flat angles C4'-P-C4' energy: -14.797 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -21.052 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: 3 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -209.212923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.212923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.212923 (E_RNA) where: Base-Base interactions energy: -144.219 where: short stacking energy: -49.946 Base-Backbone interact. energy: -0.491 local terms energy: -64.502357 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -17.454 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -10.862 tors. eta vs tors. theta energy: -12.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -192.550168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.550168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.550168 (E_RNA) where: Base-Base interactions energy: -130.388 where: short stacking energy: -59.752 Base-Backbone interact. energy: -0.005 local terms energy: -62.157414 where: bonds (distance) C4'-P energy: -11.694 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -17.470 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: 7 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -84.360780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.360780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.360780 (E_RNA) where: Base-Base interactions energy: -37.515 where: short stacking energy: -27.414 Base-Backbone interact. energy: 0.187 local terms energy: -47.032965 where: bonds (distance) C4'-P energy: -10.586 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -4.359 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: 6 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -110.747146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.747146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.747146 (E_RNA) where: Base-Base interactions energy: -67.401 where: short stacking energy: -32.844 Base-Backbone interact. energy: -0.140 local terms energy: -43.205929 where: bonds (distance) C4'-P energy: -7.023 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -2.333 tors. eta vs tors. theta energy: -4.750 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: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -84.604124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.604124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.604124 (E_RNA) where: Base-Base interactions energy: -40.766 where: short stacking energy: -31.764 Base-Backbone interact. energy: 0.652 local terms energy: -44.489949 where: bonds (distance) C4'-P energy: -10.982 bonds (distance) P-C4' energy: -10.523 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -9.003 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -77.646409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.646409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.646409 (E_RNA) where: Base-Base interactions energy: -22.172 where: short stacking energy: -22.172 Base-Backbone interact. energy: -0.005 local terms energy: -55.469377 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -5.808 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: 5 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -225.691545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.691545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.691545 (E_RNA) where: Base-Base interactions energy: -152.512 where: short stacking energy: -62.548 Base-Backbone interact. energy: -0.328 local terms energy: -72.851544 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -17.302 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -16.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -218.100566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.100566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.100566 (E_RNA) where: Base-Base interactions energy: -146.428 where: short stacking energy: -63.084 Base-Backbone interact. energy: -0.424 local terms energy: -71.248763 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -15.608 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -16.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -212.231274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.231274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.231274 (E_RNA) where: Base-Base interactions energy: -139.661 where: short stacking energy: -63.429 Base-Backbone interact. energy: -0.025 local terms energy: -72.544978 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -21.022 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: 3 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -211.484521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.484521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.484521 (E_RNA) where: Base-Base interactions energy: -144.701 where: short stacking energy: -52.582 Base-Backbone interact. energy: -0.274 local terms energy: -66.509324 where: bonds (distance) C4'-P energy: -9.426 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -18.361 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: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -202.520892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.520892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.520892 (E_RNA) where: Base-Base interactions energy: -125.782 where: short stacking energy: -57.568 Base-Backbone interact. energy: -1.278 local terms energy: -75.461047 where: bonds (distance) C4'-P energy: -15.069 bonds (distance) P-C4' energy: -16.271 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -197.845010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.845010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.845010 (E_RNA) where: Base-Base interactions energy: -135.791 where: short stacking energy: -56.700 Base-Backbone interact. energy: -0.018 local terms energy: -62.035759 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -14.419 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -8.031 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -83.271207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.271207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.271207 (E_RNA) where: Base-Base interactions energy: -31.577 where: short stacking energy: -22.918 Base-Backbone interact. energy: -0.397 local terms energy: -51.297411 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -14.783 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -77.636774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.636774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.636774 (E_RNA) where: Base-Base interactions energy: -26.247 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.080 local terms energy: -51.309753 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -10.319 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -91.146506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.146506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.146506 (E_RNA) where: Base-Base interactions energy: -48.930 where: short stacking energy: -24.350 Base-Backbone interact. energy: 0.014 local terms energy: -42.230331 where: bonds (distance) C4'-P energy: -9.292 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -7.051 tors. eta vs tors. theta energy: -1.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -65.709695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.709695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.709695 (E_RNA) where: Base-Base interactions energy: -23.079 where: short stacking energy: -22.460 Base-Backbone interact. energy: -0.115 local terms energy: -42.515930 where: bonds (distance) C4'-P energy: -11.652 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -15.246 flat angles P-C4'-P energy: 0.509 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -227.150755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.150755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.150755 (E_RNA) where: Base-Base interactions energy: -154.391 where: short stacking energy: -57.564 Base-Backbone interact. energy: -0.179 local terms energy: -72.581191 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -17.565 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: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -212.793441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.793441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.793441 (E_RNA) where: Base-Base interactions energy: -132.426 where: short stacking energy: -61.790 Base-Backbone interact. energy: -0.135 local terms energy: -80.232951 where: bonds (distance) C4'-P energy: -17.292 bonds (distance) P-C4' energy: -14.101 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -20.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -208.618297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.618297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.618297 (E_RNA) where: Base-Base interactions energy: -136.631 where: short stacking energy: -58.707 Base-Backbone interact. energy: -0.028 local terms energy: -71.959636 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -15.093 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: 262 Temperature: 1.050000 Total energy: -215.190007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.190007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.190007 (E_RNA) where: Base-Base interactions energy: -150.287 where: short stacking energy: -57.285 Base-Backbone interact. energy: -0.004 local terms energy: -64.899291 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -9.990 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -12.018 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -202.737993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.737993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.737993 (E_RNA) where: Base-Base interactions energy: -130.372 where: short stacking energy: -59.071 Base-Backbone interact. energy: -0.054 local terms energy: -72.311858 where: bonds (distance) C4'-P energy: -13.908 bonds (distance) P-C4' energy: -15.465 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -16.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -202.234605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.234605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.234605 (E_RNA) where: Base-Base interactions energy: -129.179 where: short stacking energy: -59.079 Base-Backbone interact. energy: -0.414 local terms energy: -72.641641 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -16.001 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -19.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -80.508369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.508369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.508369 (E_RNA) where: Base-Base interactions energy: -31.215 where: short stacking energy: -31.215 Base-Backbone interact. energy: -0.239 local terms energy: -49.054974 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -9.793 flat angles C4'-P-C4' energy: -11.641 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -87.539629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.539629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.539629 (E_RNA) where: Base-Base interactions energy: -33.331 where: short stacking energy: -33.290 Base-Backbone interact. energy: -0.564 local terms energy: -53.644600 where: bonds (distance) C4'-P energy: -11.199 bonds (distance) P-C4' energy: -14.717 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -71.277007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.277007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.277007 (E_RNA) where: Base-Base interactions energy: -23.977 where: short stacking energy: -23.977 Base-Backbone interact. energy: -0.128 local terms energy: -47.171570 where: bonds (distance) C4'-P energy: -15.403 bonds (distance) P-C4' energy: -10.962 flat angles C4'-P-C4' energy: -11.767 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -81.798802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.798802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.798802 (E_RNA) where: Base-Base interactions energy: -34.459 where: short stacking energy: -32.888 Base-Backbone interact. energy: 0.348 local terms energy: -47.688079 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -226.408154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.408154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.408154 (E_RNA) where: Base-Base interactions energy: -155.659 where: short stacking energy: -56.419 Base-Backbone interact. energy: -0.099 local terms energy: -70.649886 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -15.373 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: 3 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -216.230579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.230579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.230579 (E_RNA) where: Base-Base interactions energy: -145.117 where: short stacking energy: -71.974 Base-Backbone interact. energy: -2.096 local terms energy: -69.016691 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -18.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -207.922591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.922591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.922591 (E_RNA) where: Base-Base interactions energy: -140.649 where: short stacking energy: -60.543 Base-Backbone interact. energy: -0.839 local terms energy: -66.434522 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -18.016 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: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -207.989233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.989233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.989233 (E_RNA) where: Base-Base interactions energy: -134.226 where: short stacking energy: -62.659 Base-Backbone interact. energy: -0.009 local terms energy: -73.753928 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -19.721 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: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -208.051236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.051236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.051236 (E_RNA) where: Base-Base interactions energy: -134.759 where: short stacking energy: -60.460 Base-Backbone interact. energy: -0.008 local terms energy: -73.284027 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -19.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -205.414121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.414121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.414121 (E_RNA) where: Base-Base interactions energy: -130.069 where: short stacking energy: -59.609 Base-Backbone interact. energy: -0.524 local terms energy: -74.821042 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -19.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -88.446563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.446563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.446563 (E_RNA) where: Base-Base interactions energy: -40.664 where: short stacking energy: -37.929 Base-Backbone interact. energy: -0.095 local terms energy: -47.687455 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -10.085 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: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -85.358023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.358023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.358023 (E_RNA) where: Base-Base interactions energy: -29.226 where: short stacking energy: -26.760 Base-Backbone interact. energy: -1.269 local terms energy: -54.863483 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -10.637 tors. eta vs tors. theta energy: -3.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -74.961869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.961869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.961869 (E_RNA) where: Base-Base interactions energy: -25.553 where: short stacking energy: -23.054 Base-Backbone interact. energy: 0.250 local terms energy: -49.658690 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -7.205 tors. eta vs tors. theta energy: -3.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -76.790781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.790781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.790781 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -21.644 Base-Backbone interact. energy: -0.105 local terms energy: -43.629076 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -234.104186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.104186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.104186 (E_RNA) where: Base-Base interactions energy: -167.564 where: short stacking energy: -62.233 Base-Backbone interact. energy: -0.549 local terms energy: -65.991156 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -13.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -216.065819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.065819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.065819 (E_RNA) where: Base-Base interactions energy: -145.301 where: short stacking energy: -65.917 Base-Backbone interact. energy: 0.975 local terms energy: -71.739319 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -13.682 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -10.257 tors. eta vs tors. theta energy: -18.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -210.172755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.172755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.172755 (E_RNA) where: Base-Base interactions energy: -146.552 where: short stacking energy: -47.955 Base-Backbone interact. energy: -0.237 local terms energy: -63.383527 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -208.407650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.407650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.407650 (E_RNA) where: Base-Base interactions energy: -140.292 where: short stacking energy: -64.224 Base-Backbone interact. energy: -0.280 local terms energy: -67.835047 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -15.007 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -19.759 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: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -207.338890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.338890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.338890 (E_RNA) where: Base-Base interactions energy: -133.253 where: short stacking energy: -58.667 Base-Backbone interact. energy: -0.001 local terms energy: -74.084912 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -21.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -202.803963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.803963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.803963 (E_RNA) where: Base-Base interactions energy: -136.005 where: short stacking energy: -62.894 Base-Backbone interact. energy: -0.003 local terms energy: -66.795907 where: bonds (distance) C4'-P energy: -9.620 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -17.206 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: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -86.638032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.638032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.638032 (E_RNA) where: Base-Base interactions energy: -37.911 where: short stacking energy: -37.911 Base-Backbone interact. energy: -0.156 local terms energy: -48.571108 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -11.187 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -6.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -74.076632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.076632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.076632 (E_RNA) where: Base-Base interactions energy: -26.793 where: short stacking energy: -26.738 Base-Backbone interact. energy: 0.514 local terms energy: -47.797924 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -14.561 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -1.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -78.227885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.227885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.227885 (E_RNA) where: Base-Base interactions energy: -26.775 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.162 local terms energy: -51.291213 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -15.668 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -5.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -64.883582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.883582 (E_RNA) where: Base-Base interactions energy: -20.311 where: short stacking energy: -20.311 Base-Backbone interact. energy: 0.118 local terms energy: -44.691151 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -16.520 flat angles C4'-P-C4' energy: -10.580 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: 1.544 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: 5 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -237.714040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.714040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.714040 (E_RNA) where: Base-Base interactions energy: -168.990 where: short stacking energy: -59.840 Base-Backbone interact. energy: -0.519 local terms energy: -68.205868 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -15.814 flat angles C4'-P-C4' energy: -12.745 flat angles P-C4'-P energy: -12.705 tors. eta vs tors. theta energy: -12.076 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: 3 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -222.368248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.368248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.368248 (E_RNA) where: Base-Base interactions energy: -142.750 where: short stacking energy: -56.073 Base-Backbone interact. energy: -0.011 local terms energy: -79.607502 where: bonds (distance) C4'-P energy: -17.378 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -17.894 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -18.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -205.065097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.065097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.065097 (E_RNA) where: Base-Base interactions energy: -138.011 where: short stacking energy: -51.249 Base-Backbone interact. energy: -0.510 local terms energy: -66.543860 where: bonds (distance) C4'-P energy: -11.156 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -15.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -206.594897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.594897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.594897 (E_RNA) where: Base-Base interactions energy: -133.593 where: short stacking energy: -58.303 Base-Backbone interact. energy: -0.515 local terms energy: -72.485992 where: bonds (distance) C4'-P energy: -16.543 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -15.728 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -16.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -199.221798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.221798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.221798 (E_RNA) where: Base-Base interactions energy: -130.588 where: short stacking energy: -61.197 Base-Backbone interact. energy: -0.001 local terms energy: -68.632635 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -20.759 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: 265 Temperature: 1.150000 Total energy: -202.611274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.611274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.611274 (E_RNA) where: Base-Base interactions energy: -135.752 where: short stacking energy: -67.670 Base-Backbone interact. energy: -0.274 local terms energy: -66.585244 where: bonds (distance) C4'-P energy: -10.554 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -18.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -78.853381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.853381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.853381 (E_RNA) where: Base-Base interactions energy: -28.598 where: short stacking energy: -27.923 Base-Backbone interact. energy: -0.432 local terms energy: -49.822722 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -77.868221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.868221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.868221 (E_RNA) where: Base-Base interactions energy: -24.915 where: short stacking energy: -24.915 Base-Backbone interact. energy: -0.022 local terms energy: -52.930746 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -8.001 tors. eta vs tors. theta energy: -2.578 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -72.178725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.178725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.178725 (E_RNA) where: Base-Base interactions energy: -21.748 where: short stacking energy: -15.515 Base-Backbone interact. energy: -0.332 local terms energy: -50.099176 where: bonds (distance) C4'-P energy: -8.135 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -10.286 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -72.402871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.402871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.402871 (E_RNA) where: Base-Base interactions energy: -24.343 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.311 local terms energy: -47.748770 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -16.994 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -221.479251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.479251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.479251 (E_RNA) where: Base-Base interactions energy: -140.211 where: short stacking energy: -61.516 Base-Backbone interact. energy: -3.056 local terms energy: -78.211957 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -12.990 tors. eta vs tors. theta energy: -20.124 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: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -224.489768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.489768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.489768 (E_RNA) where: Base-Base interactions energy: -162.958 where: short stacking energy: -54.065 Base-Backbone interact. energy: -0.179 local terms energy: -61.353277 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -212.139383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.139383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.139383 (E_RNA) where: Base-Base interactions energy: -140.781 where: short stacking energy: -60.460 Base-Backbone interact. energy: -0.437 local terms energy: -70.920952 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -17.947 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: 9 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -210.749829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.749829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.749829 (E_RNA) where: Base-Base interactions energy: -134.352 where: short stacking energy: -65.749 Base-Backbone interact. energy: -0.625 local terms energy: -75.773161 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -17.217 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -19.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -194.787253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.787253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.787253 (E_RNA) where: Base-Base interactions energy: -128.379 where: short stacking energy: -54.940 Base-Backbone interact. energy: -0.060 local terms energy: -66.347704 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -15.017 flat angles C4'-P-C4' energy: -15.037 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -17.648 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: 2 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -188.410785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.410785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.410785 (E_RNA) where: Base-Base interactions energy: -119.412 where: short stacking energy: -52.899 Base-Backbone interact. energy: -0.723 local terms energy: -68.275324 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -17.213 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: 6 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -102.397809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.397809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.397809 (E_RNA) where: Base-Base interactions energy: -56.513 where: short stacking energy: -29.875 Base-Backbone interact. energy: -0.132 local terms energy: -45.752149 where: bonds (distance) C4'-P energy: -8.450 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -76.463272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.463272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.463272 (E_RNA) where: Base-Base interactions energy: -30.054 where: short stacking energy: -25.604 Base-Backbone interact. energy: -0.278 local terms energy: -46.131705 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -9.742 flat angles C4'-P-C4' energy: -12.967 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -3.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -76.287706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.287706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.287706 (E_RNA) where: Base-Base interactions energy: -27.492 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.130 local terms energy: -48.665190 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -11.616 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -11.723 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -80.857058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.857058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.857058 (E_RNA) where: Base-Base interactions energy: -31.827 where: short stacking energy: -22.908 Base-Backbone interact. energy: -0.107 local terms energy: -48.923020 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -5.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -219.312098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.312098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.312098 (E_RNA) where: Base-Base interactions energy: -143.969 where: short stacking energy: -66.134 Base-Backbone interact. energy: -0.343 local terms energy: -75.000058 where: bonds (distance) C4'-P energy: -13.652 bonds (distance) P-C4' energy: -16.113 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -19.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -224.282370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.282370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.282370 (E_RNA) where: Base-Base interactions energy: -141.458 where: short stacking energy: -68.989 Base-Backbone interact. energy: -0.727 local terms energy: -82.097312 where: bonds (distance) C4'-P energy: -14.866 bonds (distance) P-C4' energy: -17.315 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -11.747 tors. eta vs tors. theta energy: -22.270 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -221.615953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.615953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.615953 (E_RNA) where: Base-Base interactions energy: -151.713 where: short stacking energy: -56.355 Base-Backbone interact. energy: 0.235 local terms energy: -70.138296 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -13.529 tors. eta vs tors. theta energy: -13.162 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: 9 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -204.794198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.794198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.794198 (E_RNA) where: Base-Base interactions energy: -133.191 where: short stacking energy: -59.328 Base-Backbone interact. energy: -0.003 local terms energy: -71.600641 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -12.694 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -18.655 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: 10 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -204.585329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.585329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.585329 (E_RNA) where: Base-Base interactions energy: -133.898 where: short stacking energy: -61.633 Base-Backbone interact. energy: -0.006 local terms energy: -70.681638 where: bonds (distance) C4'-P energy: -11.793 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -13.691 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -186.245319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.245319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.245319 (E_RNA) where: Base-Base interactions energy: -120.782 where: short stacking energy: -56.327 Base-Backbone interact. energy: -0.108 local terms energy: -65.354929 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -15.805 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -81.738645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.738645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.738645 (E_RNA) where: Base-Base interactions energy: -29.608 where: short stacking energy: -29.608 Base-Backbone interact. energy: 1.076 local terms energy: -53.206250 where: bonds (distance) C4'-P energy: -13.966 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -6.909 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: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -76.446036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.446036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.446036 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -23.602 Base-Backbone interact. energy: -0.400 local terms energy: -52.444210 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -12.315 tors. eta vs tors. theta energy: -2.765 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: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -73.294475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.294475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.294475 (E_RNA) where: Base-Base interactions energy: -28.654 where: short stacking energy: -22.788 Base-Backbone interact. energy: -0.445 local terms energy: -44.195559 where: bonds (distance) C4'-P energy: -9.860 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: 2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -73.957704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.957704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.957704 (E_RNA) where: Base-Base interactions energy: -34.657 where: short stacking energy: -19.358 Base-Backbone interact. energy: -1.015 local terms energy: -38.286067 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: 5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -217.974808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.974808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.974808 (E_RNA) where: Base-Base interactions energy: -143.958 where: short stacking energy: -56.133 Base-Backbone interact. energy: -0.104 local terms energy: -73.912672 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -16.557 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -17.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -211.847522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.847522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.847522 (E_RNA) where: Base-Base interactions energy: -140.278 where: short stacking energy: -57.406 Base-Backbone interact. energy: -0.028 local terms energy: -71.541373 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -13.785 flat angles C4'-P-C4' energy: -17.734 flat angles P-C4'-P energy: -11.293 tors. eta vs tors. theta energy: -18.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -217.083594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.083594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.083594 (E_RNA) where: Base-Base interactions energy: -151.432 where: short stacking energy: -55.013 Base-Backbone interact. energy: -0.288 local terms energy: -65.363106 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -12.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -215.258867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.258867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.258867 (E_RNA) where: Base-Base interactions energy: -141.277 where: short stacking energy: -62.868 Base-Backbone interact. energy: -1.210 local terms energy: -72.771457 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -15.391 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -18.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -195.038325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.038325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.038325 (E_RNA) where: Base-Base interactions energy: -132.857 where: short stacking energy: -46.311 Base-Backbone interact. energy: -0.016 local terms energy: -62.165526 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -16.250 flat angles P-C4'-P energy: -11.820 tors. eta vs tors. theta energy: -9.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -201.545458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.545458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.545458 (E_RNA) where: Base-Base interactions energy: -136.438 where: short stacking energy: -60.019 Base-Backbone interact. energy: -0.488 local terms energy: -64.619252 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -13.447 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -16.105 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: 7 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -84.080863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.080863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.080863 (E_RNA) where: Base-Base interactions energy: -28.761 where: short stacking energy: -28.761 Base-Backbone interact. energy: 0.039 local terms energy: -55.358418 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -10.849 flat angles P-C4'-P energy: -6.687 tors. eta vs tors. theta energy: -7.168 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: 8, replica: 6 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -83.923866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.923866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.923866 (E_RNA) where: Base-Base interactions energy: -25.644 where: short stacking energy: -25.644 Base-Backbone interact. energy: -0.101 local terms energy: -58.178876 where: bonds (distance) C4'-P energy: -12.316 bonds (distance) P-C4' energy: -11.045 flat angles C4'-P-C4' energy: -15.277 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -83.545273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.545273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.545273 (E_RNA) where: Base-Base interactions energy: -29.118 where: short stacking energy: -19.990 Base-Backbone interact. energy: -0.274 local terms energy: -54.153426 where: bonds (distance) C4'-P energy: -15.910 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -66.874473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.874473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.874473 (E_RNA) where: Base-Base interactions energy: -31.238 where: short stacking energy: -12.988 Base-Backbone interact. energy: -0.468 local terms energy: -35.169134 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -10.703 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -7.554 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: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -228.296435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.296435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.296435 (E_RNA) where: Base-Base interactions energy: -158.740 where: short stacking energy: -55.416 Base-Backbone interact. energy: -0.126 local terms energy: -69.430422 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -13.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -218.879669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.879669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.879669 (E_RNA) where: Base-Base interactions energy: -152.284 where: short stacking energy: -60.375 Base-Backbone interact. energy: -0.253 local terms energy: -66.342163 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -11.294 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -12.396 tors. eta vs tors. theta energy: -14.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -222.406528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.406528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.406528 (E_RNA) where: Base-Base interactions energy: -145.383 where: short stacking energy: -60.711 Base-Backbone interact. energy: -1.857 local terms energy: -75.166903 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -15.573 flat angles C4'-P-C4' energy: -14.026 flat angles P-C4'-P energy: -12.045 tors. eta vs tors. theta energy: -20.641 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: 9 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -216.446184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.446184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.446184 (E_RNA) where: Base-Base interactions energy: -143.155 where: short stacking energy: -66.700 Base-Backbone interact. energy: -0.174 local terms energy: -73.116288 where: bonds (distance) C4'-P energy: -15.309 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -18.311 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: 5, replica: 2 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -203.643651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.643651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.643651 (E_RNA) where: Base-Base interactions energy: -129.824 where: short stacking energy: -55.685 Base-Backbone interact. energy: -0.357 local terms energy: -73.462565 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -15.023 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -197.005432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.005432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.005432 (E_RNA) where: Base-Base interactions energy: -128.070 where: short stacking energy: -55.668 Base-Backbone interact. energy: -0.006 local terms energy: -68.929358 where: bonds (distance) C4'-P energy: -14.663 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.546 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -90.897571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.897571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.897571 (E_RNA) where: Base-Base interactions energy: -42.103 where: short stacking energy: -37.387 Base-Backbone interact. energy: -0.152 local terms energy: -48.642895 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -9.720 flat angles P-C4'-P energy: -8.502 tors. eta vs tors. theta energy: -2.955 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: 4 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -96.906434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.906434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.906434 (E_RNA) where: Base-Base interactions energy: -47.258 where: short stacking energy: -16.452 Base-Backbone interact. energy: -0.079 local terms energy: -49.569290 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -13.649 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: 0.647 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: 6 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -74.086649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.086649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.086649 (E_RNA) where: Base-Base interactions energy: -30.525 where: short stacking energy: -20.639 Base-Backbone interact. energy: 0.232 local terms energy: -43.794014 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: 4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -72.681312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.681312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.681312 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -19.437 Base-Backbone interact. energy: -0.001 local terms energy: -52.678511 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -3.098 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: 5 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -224.752287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.752287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.752287 (E_RNA) where: Base-Base interactions energy: -151.572 where: short stacking energy: -56.943 Base-Backbone interact. energy: -0.760 local terms energy: -72.420118 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -11.908 tors. eta vs tors. theta energy: -13.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -221.706237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.706237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.706237 (E_RNA) where: Base-Base interactions energy: -152.945 where: short stacking energy: -52.080 Base-Backbone interact. energy: -0.077 local terms energy: -68.683494 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -10.895 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -204.902472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.902472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.902472 (E_RNA) where: Base-Base interactions energy: -135.341 where: short stacking energy: -61.314 Base-Backbone interact. energy: -0.070 local terms energy: -69.490584 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -13.807 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -18.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -212.463473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.463473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.463473 (E_RNA) where: Base-Base interactions energy: -145.318 where: short stacking energy: -62.104 Base-Backbone interact. energy: -0.062 local terms energy: -67.083378 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -11.506 tors. eta vs tors. theta energy: -14.420 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: 10 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -209.071118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.071118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.071118 (E_RNA) where: Base-Base interactions energy: -134.737 where: short stacking energy: -60.311 Base-Backbone interact. energy: -0.789 local terms energy: -73.545269 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -13.029 tors. eta vs tors. theta energy: -17.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -199.251394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.251394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.251394 (E_RNA) where: Base-Base interactions energy: -137.311 where: short stacking energy: -58.639 Base-Backbone interact. energy: -0.138 local terms energy: -61.802638 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -15.253 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: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -114.115490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.115490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.115490 (E_RNA) where: Base-Base interactions energy: -70.278 where: short stacking energy: -28.751 Base-Backbone interact. energy: -0.596 local terms energy: -43.241766 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -10.721 flat angles C4'-P-C4' energy: -14.511 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -1.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -104.596714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.596714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.596714 (E_RNA) where: Base-Base interactions energy: -60.530 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.590 local terms energy: -43.477221 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: 1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -89.284065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.284065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.284065 (E_RNA) where: Base-Base interactions energy: -46.197 where: short stacking energy: -33.655 Base-Backbone interact. energy: -1.817 local terms energy: -41.269209 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -8.974 flat angles C4'-P-C4' energy: -9.681 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -2.729 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: 6 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -73.837708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.837708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.837708 (E_RNA) where: Base-Base interactions energy: -23.487 where: short stacking energy: -15.490 Base-Backbone interact. energy: -0.016 local terms energy: -50.334432 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -1.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -226.901623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.901623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.901623 (E_RNA) where: Base-Base interactions energy: -159.357 where: short stacking energy: -50.917 Base-Backbone interact. energy: -0.242 local terms energy: -67.302953 where: bonds (distance) C4'-P energy: -10.838 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -12.532 tors. eta vs tors. theta energy: -14.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -212.074729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.074729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.074729 (E_RNA) where: Base-Base interactions energy: -140.898 where: short stacking energy: -59.376 Base-Backbone interact. energy: -0.046 local terms energy: -71.130672 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -16.020 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -17.393 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: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -214.680725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.680725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.680725 (E_RNA) where: Base-Base interactions energy: -146.898 where: short stacking energy: -57.630 Base-Backbone interact. energy: -0.277 local terms energy: -67.506064 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -15.489 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -14.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -206.030834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.030834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.030834 (E_RNA) where: Base-Base interactions energy: -136.414 where: short stacking energy: -61.176 Base-Backbone interact. energy: -1.420 local terms energy: -68.195966 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -10.473 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -19.182 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: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -193.234423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.234423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.234423 (E_RNA) where: Base-Base interactions energy: -132.541 where: short stacking energy: -58.723 Base-Backbone interact. energy: -1.782 local terms energy: -58.911019 where: bonds (distance) C4'-P energy: -8.483 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -17.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -202.023769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.023769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.023769 (E_RNA) where: Base-Base interactions energy: -134.775 where: short stacking energy: -56.112 Base-Backbone interact. energy: -0.523 local terms energy: -66.725999 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -12.181 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -18.850 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: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -91.474605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.474605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.474605 (E_RNA) where: Base-Base interactions energy: -48.687 where: short stacking energy: -37.991 Base-Backbone interact. energy: 0.169 local terms energy: -42.956906 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -12.134 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: 1.108 tors. eta vs tors. theta energy: -8.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -104.466747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.466747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.466747 (E_RNA) where: Base-Base interactions energy: -60.628 where: short stacking energy: -24.141 Base-Backbone interact. energy: -0.137 local terms energy: -43.701853 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: 2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -91.989905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.989905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.989905 (E_RNA) where: Base-Base interactions energy: -48.631 where: short stacking energy: -21.009 Base-Backbone interact. energy: -0.373 local terms energy: -42.986388 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -1.198 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: 6 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -66.615044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.615044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.615044 (E_RNA) where: Base-Base interactions energy: -15.841 where: short stacking energy: -14.995 Base-Backbone interact. energy: -1.574 local terms energy: -49.200399 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -7.484 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: 5 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -226.087058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.087058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.087058 (E_RNA) where: Base-Base interactions energy: -154.768 where: short stacking energy: -64.928 Base-Backbone interact. energy: -0.949 local terms energy: -70.369417 where: bonds (distance) C4'-P energy: -9.832 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -17.075 flat angles P-C4'-P energy: -12.743 tors. eta vs tors. theta energy: -16.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -206.349154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.349154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.349154 (E_RNA) where: Base-Base interactions energy: -140.871 where: short stacking energy: -60.074 Base-Backbone interact. energy: -0.706 local terms energy: -64.771334 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -15.405 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -208.403862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.403862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.403862 (E_RNA) where: Base-Base interactions energy: -147.767 where: short stacking energy: -54.097 Base-Backbone interact. energy: -0.146 local terms energy: -60.491782 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -10.284 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -11.827 tors. eta vs tors. theta energy: -13.466 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: 1 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -218.644167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.644167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.644167 (E_RNA) where: Base-Base interactions energy: -148.852 where: short stacking energy: -56.324 Base-Backbone interact. energy: -0.151 local terms energy: -69.641549 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -16.662 flat angles P-C4'-P energy: -10.058 tors. eta vs tors. theta energy: -13.535 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: 2 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -189.861705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.861705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.861705 (E_RNA) where: Base-Base interactions energy: -127.454 where: short stacking energy: -55.638 Base-Backbone interact. energy: -0.758 local terms energy: -61.650275 where: bonds (distance) C4'-P energy: -12.327 bonds (distance) P-C4' energy: -12.308 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -8.337 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: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -200.829703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.829703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.829703 (E_RNA) where: Base-Base interactions energy: -133.097 where: short stacking energy: -54.171 Base-Backbone interact. energy: -0.530 local terms energy: -67.203158 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -10.351 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -15.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -89.195467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.195467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.195467 (E_RNA) where: Base-Base interactions energy: -27.601 where: short stacking energy: -27.601 Base-Backbone interact. energy: -0.014 local terms energy: -61.580858 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -5.850 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: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -95.166690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.166690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.166690 (E_RNA) where: Base-Base interactions energy: -39.427 where: short stacking energy: -39.427 Base-Backbone interact. energy: -0.148 local terms energy: -55.591370 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -7.000 tors. eta vs tors. theta energy: -6.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -73.395650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.395650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.395650 (E_RNA) where: Base-Base interactions energy: -26.944 where: short stacking energy: -26.944 Base-Backbone interact. energy: -0.028 local terms energy: -46.424102 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: 0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -72.963054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.963054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.963054 (E_RNA) where: Base-Base interactions energy: -30.910 where: short stacking energy: -22.696 Base-Backbone interact. energy: -0.985 local terms energy: -41.067787 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -9.406 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -230.567153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.567153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.567153 (E_RNA) where: Base-Base interactions energy: -159.139 where: short stacking energy: -57.818 Base-Backbone interact. energy: -0.119 local terms energy: -71.309122 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -17.258 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -14.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -216.023992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.023992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.023992 (E_RNA) where: Base-Base interactions energy: -140.456 where: short stacking energy: -60.682 Base-Backbone interact. energy: -0.003 local terms energy: -75.564425 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -15.251 flat angles P-C4'-P energy: -8.703 tors. eta vs tors. theta energy: -20.377 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: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -211.329078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.329078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.329078 (E_RNA) where: Base-Base interactions energy: -137.787 where: short stacking energy: -58.851 Base-Backbone interact. energy: -0.046 local terms energy: -73.496339 where: bonds (distance) C4'-P energy: -16.257 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -16.366 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: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -211.998494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.998494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.998494 (E_RNA) where: Base-Base interactions energy: -141.524 where: short stacking energy: -63.735 Base-Backbone interact. energy: -0.003 local terms energy: -70.472236 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -12.025 tors. eta vs tors. theta energy: -21.064 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: 1 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -197.073130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.073130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.073130 (E_RNA) where: Base-Base interactions energy: -134.850 where: short stacking energy: -57.882 Base-Backbone interact. energy: -0.047 local terms energy: -62.175866 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -9.461 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -16.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -196.188723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.188723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.188723 (E_RNA) where: Base-Base interactions energy: -133.320 where: short stacking energy: -61.249 Base-Backbone interact. energy: -0.259 local terms energy: -62.609676 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -12.164 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -17.862 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: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -94.187632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.187632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.187632 (E_RNA) where: Base-Base interactions energy: -40.007 where: short stacking energy: -24.626 Base-Backbone interact. energy: 0.174 local terms energy: -54.355281 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -11.303 flat angles P-C4'-P energy: -8.417 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: 8, replica: 6 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -77.701840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.701840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.701840 (E_RNA) where: Base-Base interactions energy: -25.021 where: short stacking energy: -20.416 Base-Backbone interact. energy: -0.173 local terms energy: -52.507391 where: bonds (distance) C4'-P energy: -10.725 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -10.275 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -88.558576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.558576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.558576 (E_RNA) where: Base-Base interactions energy: -34.670 where: short stacking energy: -22.007 Base-Backbone interact. energy: -1.554 local terms energy: -52.334102 where: bonds (distance) C4'-P energy: -14.975 bonds (distance) P-C4' energy: -10.982 flat angles C4'-P-C4' energy: -15.430 flat angles P-C4'-P energy: -6.889 tors. eta vs tors. theta energy: -4.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -70.433956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.433956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.433956 (E_RNA) where: Base-Base interactions energy: -25.966 where: short stacking energy: -23.403 Base-Backbone interact. energy: -0.036 local terms energy: -44.432343 where: bonds (distance) C4'-P energy: -12.041 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -3.608 tors. eta vs tors. theta energy: -3.618 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: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -233.982611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.982611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.982611 (E_RNA) where: Base-Base interactions energy: -157.564 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.226 local terms energy: -76.192988 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -17.610 flat angles P-C4'-P energy: -12.999 tors. eta vs tors. theta energy: -14.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -217.363124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.363124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.363124 (E_RNA) where: Base-Base interactions energy: -141.915 where: short stacking energy: -60.857 Base-Backbone interact. energy: -0.011 local terms energy: -75.436992 where: bonds (distance) C4'-P energy: -15.877 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -12.893 tors. eta vs tors. theta energy: -17.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -214.773904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.773904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.773904 (E_RNA) where: Base-Base interactions energy: -144.948 where: short stacking energy: -64.438 Base-Backbone interact. energy: -0.014 local terms energy: -69.812054 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -12.967 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -209.233006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.233006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.233006 (E_RNA) where: Base-Base interactions energy: -136.532 where: short stacking energy: -59.722 Base-Backbone interact. energy: -0.003 local terms energy: -72.697454 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -18.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -202.303833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.303833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.303833 (E_RNA) where: Base-Base interactions energy: -137.566 where: short stacking energy: -55.687 Base-Backbone interact. energy: -0.029 local terms energy: -64.708407 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -17.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -197.928105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.928105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.928105 (E_RNA) where: Base-Base interactions energy: -128.777 where: short stacking energy: -56.422 Base-Backbone interact. energy: -0.826 local terms energy: -68.324776 where: bonds (distance) C4'-P energy: -9.062 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -12.370 tors. eta vs tors. theta energy: -18.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -80.929521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.929521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.929521 (E_RNA) where: Base-Base interactions energy: -26.864 where: short stacking energy: -26.864 Base-Backbone interact. energy: -0.026 local terms energy: -54.039237 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -17.150 flat angles P-C4'-P energy: -4.209 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: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -93.868919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.868919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.868919 (E_RNA) where: Base-Base interactions energy: -37.278 where: short stacking energy: -29.956 Base-Backbone interact. energy: -0.016 local terms energy: -56.575617 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -14.928 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -6.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -79.822015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.822015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.822015 (E_RNA) where: Base-Base interactions energy: -39.581 where: short stacking energy: -26.892 Base-Backbone interact. energy: -0.004 local terms energy: -40.237052 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -7.071 flat angles C4'-P-C4' energy: -12.330 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -66.058560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.058560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.058560 (E_RNA) where: Base-Base interactions energy: -20.204 where: short stacking energy: -20.023 Base-Backbone interact. energy: -0.631 local terms energy: -45.224172 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -9.857 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -2.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -228.169453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.169453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.169453 (E_RNA) where: Base-Base interactions energy: -152.600 where: short stacking energy: -57.805 Base-Backbone interact. energy: -0.139 local terms energy: -75.430995 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -18.014 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -11.917 tors. eta vs tors. theta energy: -16.213 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: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -220.399846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.399846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.399846 (E_RNA) where: Base-Base interactions energy: -144.031 where: short stacking energy: -72.462 Base-Backbone interact. energy: -0.240 local terms energy: -76.128859 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -21.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -214.577012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.577012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.577012 (E_RNA) where: Base-Base interactions energy: -140.866 where: short stacking energy: -57.668 Base-Backbone interact. energy: -0.108 local terms energy: -73.603078 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -19.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -206.753148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.753148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.753148 (E_RNA) where: Base-Base interactions energy: -141.988 where: short stacking energy: -46.411 Base-Backbone interact. energy: -0.037 local terms energy: -64.727668 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -13.122 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: 2 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -191.736940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.736940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.736940 (E_RNA) where: Base-Base interactions energy: -127.832 where: short stacking energy: -54.081 Base-Backbone interact. energy: 0.848 local terms energy: -64.752625 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -17.204 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -85.774614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.774614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.774614 (E_RNA) where: Base-Base interactions energy: -31.211 where: short stacking energy: -30.204 Base-Backbone interact. energy: -0.148 local terms energy: -54.415867 where: bonds (distance) C4'-P energy: -15.778 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -10.126 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -3.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -201.838108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.838108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.838108 (E_RNA) where: Base-Base interactions energy: -134.301 where: short stacking energy: -57.747 Base-Backbone interact. energy: -0.168 local terms energy: -67.369204 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -14.663 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -79.477420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.477420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.477420 (E_RNA) where: Base-Base interactions energy: -41.962 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.538 local terms energy: -36.977866 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: 4.791 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: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -70.179903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.179903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.179903 (E_RNA) where: Base-Base interactions energy: -27.447 where: short stacking energy: -19.323 Base-Backbone interact. energy: 0.011 local terms energy: -42.743569 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -9.451 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -3.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -82.007556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.007556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.007556 (E_RNA) where: Base-Base interactions energy: -25.864 where: short stacking energy: -25.117 Base-Backbone interact. energy: -0.013 local terms energy: -56.130352 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -16.321 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -10.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -227.834264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.834264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.834264 (E_RNA) where: Base-Base interactions energy: -158.803 where: short stacking energy: -60.010 Base-Backbone interact. energy: 0.102 local terms energy: -69.133414 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -14.934 flat angles P-C4'-P energy: -9.354 tors. eta vs tors. theta energy: -14.457 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: 276 Temperature: 0.950000 Total energy: -212.802694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.802694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.802694 (E_RNA) where: Base-Base interactions energy: -140.646 where: short stacking energy: -59.158 Base-Backbone interact. energy: 1.191 local terms energy: -73.348001 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -14.785 flat angles C4'-P-C4' energy: -17.016 flat angles P-C4'-P energy: -6.418 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: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -214.105255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.105255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.105255 (E_RNA) where: Base-Base interactions energy: -137.860 where: short stacking energy: -56.171 Base-Backbone interact. energy: -0.394 local terms energy: -75.850806 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -16.735 flat angles C4'-P-C4' energy: -13.659 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -19.312 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: 3 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -203.456741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.456741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.456741 (E_RNA) where: Base-Base interactions energy: -137.872 where: short stacking energy: -60.711 Base-Backbone interact. energy: -0.016 local terms energy: -65.568418 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -12.871 flat angles P-C4'-P energy: -7.131 tors. eta vs tors. theta energy: -15.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -219.214076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.214076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.214076 (E_RNA) where: Base-Base interactions energy: -144.934 where: short stacking energy: -59.917 Base-Backbone interact. energy: -2.030 local terms energy: -72.250154 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -10.260 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -17.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -80.122875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.122875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.122875 (E_RNA) where: Base-Base interactions energy: -26.321 where: short stacking energy: -26.321 Base-Backbone interact. energy: -0.142 local terms energy: -53.659990 where: bonds (distance) C4'-P energy: -9.625 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -10.741 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -7.146 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: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -196.279958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.279958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.279958 (E_RNA) where: Base-Base interactions energy: -133.818 where: short stacking energy: -51.971 Base-Backbone interact. energy: -0.017 local terms energy: -62.445603 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -16.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -99.730725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.730725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.730725 (E_RNA) where: Base-Base interactions energy: -40.647 where: short stacking energy: -33.908 Base-Backbone interact. energy: -0.110 local terms energy: -58.974024 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -82.717575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.717575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.717575 (E_RNA) where: Base-Base interactions energy: -27.602 where: short stacking energy: -27.471 Base-Backbone interact. energy: 0.036 local terms energy: -55.151311 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -15.752 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -3.198 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: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -70.364886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.364886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.364886 (E_RNA) where: Base-Base interactions energy: -21.345 where: short stacking energy: -20.276 Base-Backbone interact. energy: -0.257 local terms energy: -48.762476 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -13.014 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: 0.051 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: 5 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -231.206791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.206791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.206791 (E_RNA) where: Base-Base interactions energy: -166.033 where: short stacking energy: -55.291 Base-Backbone interact. energy: -0.479 local terms energy: -64.695178 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -16.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -217.062976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.062976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.062976 (E_RNA) where: Base-Base interactions energy: -140.418 where: short stacking energy: -66.533 Base-Backbone interact. energy: -2.019 local terms energy: -74.626183 where: bonds (distance) C4'-P energy: -14.008 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -20.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -213.840453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.840453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.840453 (E_RNA) where: Base-Base interactions energy: -145.191 where: short stacking energy: -58.533 Base-Backbone interact. energy: -0.055 local terms energy: -68.594408 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -9.674 flat angles P-C4'-P energy: -7.787 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: 4, replica: 2 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -215.728395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.728395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.728395 (E_RNA) where: Base-Base interactions energy: -142.333 where: short stacking energy: -67.008 Base-Backbone interact. energy: -1.921 local terms energy: -71.474796 where: bonds (distance) C4'-P energy: -13.890 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -16.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -208.854662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.854662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.854662 (E_RNA) where: Base-Base interactions energy: -139.803 where: short stacking energy: -61.922 Base-Backbone interact. energy: -0.104 local terms energy: -68.947136 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -12.818 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -194.107653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.107653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.107653 (E_RNA) where: Base-Base interactions energy: -131.481 where: short stacking energy: -51.629 Base-Backbone interact. energy: 0.516 local terms energy: -63.142984 where: bonds (distance) C4'-P energy: -10.888 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -14.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -87.474766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.474766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.474766 (E_RNA) where: Base-Base interactions energy: -33.880 where: short stacking energy: -27.271 Base-Backbone interact. energy: -0.141 local terms energy: -53.453691 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -2.926 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: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -75.782905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.782905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.782905 (E_RNA) where: Base-Base interactions energy: -32.223 where: short stacking energy: -29.255 Base-Backbone interact. energy: 0.161 local terms energy: -43.720252 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -2.033 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -71.592596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.592596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.592596 (E_RNA) where: Base-Base interactions energy: -25.652 where: short stacking energy: -24.573 Base-Backbone interact. energy: -0.007 local terms energy: -45.933334 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -9.607 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -71.111924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.111924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.111924 (E_RNA) where: Base-Base interactions energy: -29.045 where: short stacking energy: -25.756 Base-Backbone interact. energy: -0.012 local terms energy: -42.055196 where: bonds (distance) C4'-P energy: -13.837 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -11.891 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: 0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -219.755444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.755444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.755444 (E_RNA) where: Base-Base interactions energy: -140.235 where: short stacking energy: -65.351 Base-Backbone interact. energy: -1.071 local terms energy: -78.449037 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -14.685 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -20.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -229.419585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.419585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.419585 (E_RNA) where: Base-Base interactions energy: -163.982 where: short stacking energy: -62.734 Base-Backbone interact. energy: -0.141 local terms energy: -65.296505 where: bonds (distance) C4'-P energy: -11.751 bonds (distance) P-C4' energy: -11.167 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -12.094 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -214.752902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.752902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.752902 (E_RNA) where: Base-Base interactions energy: -141.086 where: short stacking energy: -66.776 Base-Backbone interact. energy: -0.628 local terms energy: -73.038798 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -16.336 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -19.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -210.464304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.464304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.464304 (E_RNA) where: Base-Base interactions energy: -141.121 where: short stacking energy: -57.450 Base-Backbone interact. energy: 0.192 local terms energy: -69.534984 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -18.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -198.481519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.481519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.481519 (E_RNA) where: Base-Base interactions energy: -133.919 where: short stacking energy: -54.324 Base-Backbone interact. energy: -0.629 local terms energy: -63.934086 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -14.624 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -13.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -192.242066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.242066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.242066 (E_RNA) where: Base-Base interactions energy: -129.777 where: short stacking energy: -51.408 Base-Backbone interact. energy: 0.225 local terms energy: -62.689308 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -15.722 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -14.043 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: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -78.279878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.279878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.279878 (E_RNA) where: Base-Base interactions energy: -35.042 where: short stacking energy: -34.411 Base-Backbone interact. energy: -0.224 local terms energy: -43.013883 where: bonds (distance) C4'-P energy: -8.822 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -10.629 flat angles P-C4'-P energy: -6.102 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -89.884154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.884154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.884154 (E_RNA) where: Base-Base interactions energy: -38.335 where: short stacking energy: -38.335 Base-Backbone interact. energy: -0.112 local terms energy: -51.437320 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -12.917 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -72.935189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.935189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.935189 (E_RNA) where: Base-Base interactions energy: -29.460 where: short stacking energy: -29.460 Base-Backbone interact. energy: -0.078 local terms energy: -43.397725 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -73.237222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.237222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.237222 (E_RNA) where: Base-Base interactions energy: -27.312 where: short stacking energy: -21.658 Base-Backbone interact. energy: -0.051 local terms energy: -45.873610 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.319 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -213.303559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.303559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.303559 (E_RNA) where: Base-Base interactions energy: -131.913 where: short stacking energy: -57.596 Base-Backbone interact. energy: -0.000 local terms energy: -81.390769 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -15.302 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -21.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -226.068205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.068205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.068205 (E_RNA) where: Base-Base interactions energy: -150.408 where: short stacking energy: -62.553 Base-Backbone interact. energy: -0.501 local terms energy: -75.158617 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -13.489 flat angles C4'-P-C4' energy: -17.219 flat angles P-C4'-P energy: -12.798 tors. eta vs tors. theta energy: -16.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -211.781648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.781648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.781648 (E_RNA) where: Base-Base interactions energy: -140.748 where: short stacking energy: -61.996 Base-Backbone interact. energy: 1.310 local terms energy: -72.343490 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -16.768 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -12.895 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -204.966463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.966463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.966463 (E_RNA) where: Base-Base interactions energy: -135.234 where: short stacking energy: -54.822 Base-Backbone interact. energy: -0.081 local terms energy: -69.651489 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -16.239 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -14.757 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: 10 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -210.536289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.536289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.536289 (E_RNA) where: Base-Base interactions energy: -139.948 where: short stacking energy: -60.471 Base-Backbone interact. energy: 0.732 local terms energy: -71.319792 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -17.320 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -12.304 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -187.177827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.177827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.177827 (E_RNA) where: Base-Base interactions energy: -132.108 where: short stacking energy: -61.245 Base-Backbone interact. energy: -0.001 local terms energy: -55.069044 where: bonds (distance) C4'-P energy: -4.410 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -18.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -93.646507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.646507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.646507 (E_RNA) where: Base-Base interactions energy: -45.022 where: short stacking energy: -31.252 Base-Backbone interact. energy: -1.741 local terms energy: -46.883476 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -6.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -82.693216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.693216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.693216 (E_RNA) where: Base-Base interactions energy: -44.091 where: short stacking energy: -25.972 Base-Backbone interact. energy: -0.929 local terms energy: -37.672671 where: bonds (distance) C4'-P energy: -9.140 bonds (distance) P-C4' energy: -8.769 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -6.381 tors. eta vs tors. theta energy: -3.926 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: 6 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -90.344072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.344072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.344072 (E_RNA) where: Base-Base interactions energy: -38.232 where: short stacking energy: -38.232 Base-Backbone interact. energy: -0.058 local terms energy: -52.054223 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: 0.927 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -83.087852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.087852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.087852 (E_RNA) where: Base-Base interactions energy: -29.158 where: short stacking energy: -24.450 Base-Backbone interact. energy: -0.164 local terms energy: -53.765938 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -229.105002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.105002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.105002 (E_RNA) where: Base-Base interactions energy: -160.753 where: short stacking energy: -52.062 Base-Backbone interact. energy: -0.349 local terms energy: -68.003007 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -12.606 tors. eta vs tors. theta energy: -11.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -216.489291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.489291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.489291 (E_RNA) where: Base-Base interactions energy: -140.087 where: short stacking energy: -62.890 Base-Backbone interact. energy: -0.181 local terms energy: -76.221164 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -19.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -204.353968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.353968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.353968 (E_RNA) where: Base-Base interactions energy: -135.591 where: short stacking energy: -61.558 Base-Backbone interact. energy: -0.422 local terms energy: -68.341127 where: bonds (distance) C4'-P energy: -13.727 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -16.427 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -202.406156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.406156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.406156 (E_RNA) where: Base-Base interactions energy: -133.771 where: short stacking energy: -57.849 Base-Backbone interact. energy: -0.008 local terms energy: -68.627042 where: bonds (distance) C4'-P energy: -13.213 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -18.700 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: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -201.477702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.477702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.477702 (E_RNA) where: Base-Base interactions energy: -129.690 where: short stacking energy: -55.069 Base-Backbone interact. energy: -0.140 local terms energy: -71.647233 where: bonds (distance) C4'-P energy: -13.867 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -17.458 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: 10 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -191.514213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.514213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.514213 (E_RNA) where: Base-Base interactions energy: -128.761 where: short stacking energy: -54.236 Base-Backbone interact. energy: -0.060 local terms energy: -62.693467 where: bonds (distance) C4'-P energy: -11.839 bonds (distance) P-C4' energy: -11.953 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -10.717 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -87.937805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.937805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.937805 (E_RNA) where: Base-Base interactions energy: -41.184 where: short stacking energy: -29.011 Base-Backbone interact. energy: -0.583 local terms energy: -46.170888 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -9.218 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -81.672106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.672106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.672106 (E_RNA) where: Base-Base interactions energy: -33.524 where: short stacking energy: -32.989 Base-Backbone interact. energy: -0.010 local terms energy: -48.137855 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -15.366 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -3.143 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: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -88.985607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.985607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.985607 (E_RNA) where: Base-Base interactions energy: -27.794 where: short stacking energy: -27.794 Base-Backbone interact. energy: -0.003 local terms energy: -61.188482 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -6.806 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: 6 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -74.950183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.950183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.950183 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -30.888 Base-Backbone interact. energy: -0.047 local terms energy: -44.815865 where: bonds (distance) C4'-P energy: -9.772 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -237.002100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -237.002100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -237.002100 (E_RNA) where: Base-Base interactions energy: -168.382 where: short stacking energy: -61.326 Base-Backbone interact. energy: -0.391 local terms energy: -68.228778 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -16.790 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -13.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -225.302895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.302895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.302895 (E_RNA) where: Base-Base interactions energy: -152.985 where: short stacking energy: -70.723 Base-Backbone interact. energy: -0.314 local terms energy: -72.004379 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -17.742 flat angles P-C4'-P energy: -11.399 tors. eta vs tors. theta energy: -18.730 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: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -211.784095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.784095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.784095 (E_RNA) where: Base-Base interactions energy: -139.217 where: short stacking energy: -71.162 Base-Backbone interact. energy: -0.016 local terms energy: -72.551290 where: bonds (distance) C4'-P energy: -8.510 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -16.491 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -22.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -209.355792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.355792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.355792 (E_RNA) where: Base-Base interactions energy: -145.998 where: short stacking energy: -68.180 Base-Backbone interact. energy: -0.001 local terms energy: -63.356810 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -10.808 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -5.726 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: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -198.297006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.297006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.297006 (E_RNA) where: Base-Base interactions energy: -132.936 where: short stacking energy: -65.043 Base-Backbone interact. energy: -0.322 local terms energy: -65.039111 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -18.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -192.314414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.314414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.314414 (E_RNA) where: Base-Base interactions energy: -123.351 where: short stacking energy: -59.650 Base-Backbone interact. energy: -0.209 local terms energy: -68.754082 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -19.423 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: 7, replica: 7 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -84.416027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.416027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.416027 (E_RNA) where: Base-Base interactions energy: -31.461 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.204 local terms energy: -52.751431 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -73.177167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.177167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.177167 (E_RNA) where: Base-Base interactions energy: -21.159 where: short stacking energy: -19.128 Base-Backbone interact. energy: -0.046 local terms energy: -51.972022 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: 1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -77.561670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.561670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.561670 (E_RNA) where: Base-Base interactions energy: -28.234 where: short stacking energy: -23.844 Base-Backbone interact. energy: -0.884 local terms energy: -48.443817 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -1.806 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -72.707199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.707199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.707199 (E_RNA) where: Base-Base interactions energy: -25.887 where: short stacking energy: -25.887 Base-Backbone interact. energy: -0.242 local terms energy: -46.578658 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -5.886 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -3.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -220.161908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.161908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.161908 (E_RNA) where: Base-Base interactions energy: -142.156 where: short stacking energy: -69.025 Base-Backbone interact. energy: -0.000 local terms energy: -78.005206 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -16.290 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -11.782 tors. eta vs tors. theta energy: -17.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -222.277635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.277635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.277635 (E_RNA) where: Base-Base interactions energy: -154.273 where: short stacking energy: -53.228 Base-Backbone interact. energy: -1.136 local terms energy: -66.869225 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -16.002 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -15.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -211.655519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.655519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.655519 (E_RNA) where: Base-Base interactions energy: -140.520 where: short stacking energy: -57.286 Base-Backbone interact. energy: -0.937 local terms energy: -70.198578 where: bonds (distance) C4'-P energy: -17.263 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -15.217 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -16.143 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: 1 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -203.636970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.636970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.636970 (E_RNA) where: Base-Base interactions energy: -132.856 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.204 local terms energy: -70.576717 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -14.763 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: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -198.130431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.130431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.130431 (E_RNA) where: Base-Base interactions energy: -125.068 where: short stacking energy: -56.489 Base-Backbone interact. energy: -0.403 local terms energy: -72.659287 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -195.351186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.351186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.351186 (E_RNA) where: Base-Base interactions energy: -136.387 where: short stacking energy: -62.265 Base-Backbone interact. energy: 0.858 local terms energy: -59.822011 where: bonds (distance) C4'-P energy: -9.870 bonds (distance) P-C4' energy: -7.220 flat angles C4'-P-C4' energy: -15.855 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -15.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -88.774322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.774322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.774322 (E_RNA) where: Base-Base interactions energy: -35.004 where: short stacking energy: -35.004 Base-Backbone interact. energy: -0.630 local terms energy: -53.140833 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -9.117 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -10.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -78.585201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.585201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.585201 (E_RNA) where: Base-Base interactions energy: -37.143 where: short stacking energy: -19.444 Base-Backbone interact. energy: 1.405 local terms energy: -42.847632 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -9.402 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: 1.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -78.223523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.223523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.223523 (E_RNA) where: Base-Base interactions energy: -26.667 where: short stacking energy: -26.751 Base-Backbone interact. energy: -0.284 local terms energy: -51.272790 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -12.485 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.266 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: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -75.935453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.935453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.935453 (E_RNA) where: Base-Base interactions energy: -29.941 where: short stacking energy: -28.866 Base-Backbone interact. energy: -0.249 local terms energy: -45.745633 where: bonds (distance) C4'-P energy: -8.970 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -13.688 flat angles P-C4'-P energy: -7.732 tors. eta vs tors. theta energy: -4.536 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: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -211.390306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.390306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.390306 (E_RNA) where: Base-Base interactions energy: -131.685 where: short stacking energy: -64.901 Base-Backbone interact. energy: -0.281 local terms energy: -79.424029 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -16.687 flat angles P-C4'-P energy: -9.745 tors. eta vs tors. theta energy: -20.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -214.948762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.948762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.948762 (E_RNA) where: Base-Base interactions energy: -142.789 where: short stacking energy: -48.964 Base-Backbone interact. energy: -0.249 local terms energy: -71.910361 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -17.325 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -13.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -219.147218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.147218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.147218 (E_RNA) where: Base-Base interactions energy: -152.795 where: short stacking energy: -61.753 Base-Backbone interact. energy: -0.104 local terms energy: -66.248489 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -15.617 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -11.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -202.555337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.555337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.555337 (E_RNA) where: Base-Base interactions energy: -133.703 where: short stacking energy: -54.145 Base-Backbone interact. energy: -0.000 local terms energy: -68.852476 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -9.599 tors. eta vs tors. theta energy: -17.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -199.945809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.945809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.945809 (E_RNA) where: Base-Base interactions energy: -137.195 where: short stacking energy: -61.323 Base-Backbone interact. energy: -0.344 local terms energy: -62.406263 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -14.945 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -13.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -200.072027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.072027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.072027 (E_RNA) where: Base-Base interactions energy: -136.078 where: short stacking energy: -67.695 Base-Backbone interact. energy: -1.246 local terms energy: -62.747555 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -5.203 tors. eta vs tors. theta energy: -18.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -101.648301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.648301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.648301 (E_RNA) where: Base-Base interactions energy: -42.157 where: short stacking energy: -42.157 Base-Backbone interact. energy: -0.074 local terms energy: -59.416767 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -15.272 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -11.658 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: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -87.672075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.672075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.672075 (E_RNA) where: Base-Base interactions energy: -36.930 where: short stacking energy: -31.766 Base-Backbone interact. energy: -0.159 local terms energy: -50.583460 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -16.346 flat angles P-C4'-P energy: -7.446 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -75.218427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.218427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.218427 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -28.758 Base-Backbone interact. energy: -0.159 local terms energy: -46.301648 where: bonds (distance) C4'-P energy: -10.191 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -4.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -68.127655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.127655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.127655 (E_RNA) where: Base-Base interactions energy: -21.650 where: short stacking energy: -21.650 Base-Backbone interact. energy: -0.195 local terms energy: -46.282891 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -14.691 flat angles C4'-P-C4' energy: -10.987 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -0.715 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: 5 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -222.342514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.342514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.342514 (E_RNA) where: Base-Base interactions energy: -157.610 where: short stacking energy: -51.432 Base-Backbone interact. energy: -0.455 local terms energy: -64.276989 where: bonds (distance) C4'-P energy: -14.711 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -11.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -217.759647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.759647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.759647 (E_RNA) where: Base-Base interactions energy: -142.227 where: short stacking energy: -64.817 Base-Backbone interact. energy: -3.016 local terms energy: -72.516946 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -11.385 flat angles C4'-P-C4' energy: -15.364 flat angles P-C4'-P energy: -13.126 tors. eta vs tors. theta energy: -22.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -223.860015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.860015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.860015 (E_RNA) where: Base-Base interactions energy: -150.658 where: short stacking energy: -66.436 Base-Backbone interact. energy: -0.017 local terms energy: -73.184886 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -13.299 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -203.609463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.609463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.609463 (E_RNA) where: Base-Base interactions energy: -144.773 where: short stacking energy: -56.043 Base-Backbone interact. energy: -0.273 local terms energy: -58.563959 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -13.747 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: 10 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -197.703583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.703583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.703583 (E_RNA) where: Base-Base interactions energy: -134.332 where: short stacking energy: -66.241 Base-Backbone interact. energy: -0.019 local terms energy: -63.352947 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -7.390 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -19.035 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: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -201.703380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.703380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.703380 (E_RNA) where: Base-Base interactions energy: -134.547 where: short stacking energy: -63.857 Base-Backbone interact. energy: 0.201 local terms energy: -67.356966 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -15.890 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: 7, replica: 7 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -105.421617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.421617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.421617 (E_RNA) where: Base-Base interactions energy: -44.282 where: short stacking energy: -33.697 Base-Backbone interact. energy: -0.367 local terms energy: -60.773079 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -93.504436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.504436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.504436 (E_RNA) where: Base-Base interactions energy: -38.957 where: short stacking energy: -30.878 Base-Backbone interact. energy: -0.102 local terms energy: -54.445607 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -81.182865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.182865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.182865 (E_RNA) where: Base-Base interactions energy: -37.516 where: short stacking energy: -23.083 Base-Backbone interact. energy: -0.646 local terms energy: -43.020917 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -2.607 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: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -67.560173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.560173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.560173 (E_RNA) where: Base-Base interactions energy: -23.004 where: short stacking energy: -23.004 Base-Backbone interact. energy: -0.048 local terms energy: -44.507922 where: bonds (distance) C4'-P energy: -12.000 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -228.463129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.463129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.463129 (E_RNA) where: Base-Base interactions energy: -162.735 where: short stacking energy: -56.969 Base-Backbone interact. energy: 0.487 local terms energy: -66.214585 where: bonds (distance) C4'-P energy: -17.138 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -14.134 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -11.380 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: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -211.974434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.974434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.974434 (E_RNA) where: Base-Base interactions energy: -143.679 where: short stacking energy: -63.237 Base-Backbone interact. energy: -0.012 local terms energy: -68.283689 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -13.895 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -16.813 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: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -206.363435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.363435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.363435 (E_RNA) where: Base-Base interactions energy: -134.764 where: short stacking energy: -62.951 Base-Backbone interact. energy: -0.003 local terms energy: -71.596017 where: bonds (distance) C4'-P energy: -10.582 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -16.248 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -18.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -204.807509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.807509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.807509 (E_RNA) where: Base-Base interactions energy: -136.040 where: short stacking energy: -62.647 Base-Backbone interact. energy: -0.122 local terms energy: -68.645057 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -20.229 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: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -208.934588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.934588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.934588 (E_RNA) where: Base-Base interactions energy: -150.186 where: short stacking energy: -57.824 Base-Backbone interact. energy: -0.010 local terms energy: -58.738125 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -15.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -191.056157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.056157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.056157 (E_RNA) where: Base-Base interactions energy: -124.952 where: short stacking energy: -51.439 Base-Backbone interact. energy: -0.106 local terms energy: -65.998207 where: bonds (distance) C4'-P energy: -14.376 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -16.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -124.960338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.960338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.960338 (E_RNA) where: Base-Base interactions energy: -75.682 where: short stacking energy: -34.833 Base-Backbone interact. energy: -0.414 local terms energy: -48.864828 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -10.034 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -6.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -84.306635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.306635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.306635 (E_RNA) where: Base-Base interactions energy: -40.144 where: short stacking energy: -23.230 Base-Backbone interact. energy: -0.118 local terms energy: -44.045024 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -12.424 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -80.143926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.143926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.143926 (E_RNA) where: Base-Base interactions energy: -35.331 where: short stacking energy: -35.331 Base-Backbone interact. energy: -0.182 local terms energy: -44.630305 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -11.267 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -66.837987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.837987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.837987 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -16.836 Base-Backbone interact. energy: -0.038 local terms energy: -49.963918 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -218.733856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.733856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.733856 (E_RNA) where: Base-Base interactions energy: -148.320 where: short stacking energy: -62.271 Base-Backbone interact. energy: -0.005 local terms energy: -70.408746 where: bonds (distance) C4'-P energy: -12.931 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -12.571 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -211.737591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.737591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.737591 (E_RNA) where: Base-Base interactions energy: -147.175 where: short stacking energy: -55.387 Base-Backbone interact. energy: 0.000 local terms energy: -64.562386 where: bonds (distance) C4'-P energy: -10.067 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -16.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -213.703657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.703657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.703657 (E_RNA) where: Base-Base interactions energy: -148.848 where: short stacking energy: -60.155 Base-Backbone interact. energy: -0.116 local terms energy: -64.739502 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -16.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -209.237765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.237765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.237765 (E_RNA) where: Base-Base interactions energy: -149.806 where: short stacking energy: -51.412 Base-Backbone interact. energy: -0.217 local terms energy: -59.214830 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -11.677 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -12.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -210.045619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.045619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.045619 (E_RNA) where: Base-Base interactions energy: -143.833 where: short stacking energy: -55.940 Base-Backbone interact. energy: 0.196 local terms energy: -66.407880 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -12.654 flat angles C4'-P-C4' energy: -12.238 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -198.046891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.046891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.046891 (E_RNA) where: Base-Base interactions energy: -131.027 where: short stacking energy: -51.322 Base-Backbone interact. energy: -0.046 local terms energy: -66.974420 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -16.459 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -11.620 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: 7 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -164.633256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.633256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.633256 (E_RNA) where: Base-Base interactions energy: -107.941 where: short stacking energy: -51.842 Base-Backbone interact. energy: -0.738 local terms energy: -55.954389 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -11.363 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -10.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -82.116388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.116388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.116388 (E_RNA) where: Base-Base interactions energy: -27.985 where: short stacking energy: -27.985 Base-Backbone interact. energy: -0.157 local terms energy: -53.973655 where: bonds (distance) C4'-P energy: -14.244 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -12.489 tors. eta vs tors. theta energy: -5.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -70.369553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.369553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.369553 (E_RNA) where: Base-Base interactions energy: -27.407 where: short stacking energy: -27.407 Base-Backbone interact. energy: -0.100 local terms energy: -42.862551 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -12.037 flat angles C4'-P-C4' energy: -12.360 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -69.882355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.882355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.882355 (E_RNA) where: Base-Base interactions energy: -25.635 where: short stacking energy: -20.090 Base-Backbone interact. energy: -0.171 local terms energy: -44.076247 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -225.533588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.533588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.533588 (E_RNA) where: Base-Base interactions energy: -152.392 where: short stacking energy: -63.731 Base-Backbone interact. energy: -0.023 local terms energy: -73.118567 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -17.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -219.820079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.820079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.820079 (E_RNA) where: Base-Base interactions energy: -149.845 where: short stacking energy: -56.600 Base-Backbone interact. energy: -0.641 local terms energy: -69.333881 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -11.053 tors. eta vs tors. theta energy: -16.554 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: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -213.219541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.219541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.219541 (E_RNA) where: Base-Base interactions energy: -144.891 where: short stacking energy: -58.831 Base-Backbone interact. energy: -0.285 local terms energy: -68.043606 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -16.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -205.040738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.040738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.040738 (E_RNA) where: Base-Base interactions energy: -136.651 where: short stacking energy: -64.339 Base-Backbone interact. energy: -0.020 local terms energy: -68.369638 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -208.788401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.788401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.788401 (E_RNA) where: Base-Base interactions energy: -144.727 where: short stacking energy: -51.111 Base-Backbone interact. energy: -0.299 local terms energy: -63.761685 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -15.640 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -10.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -189.317811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.317811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.317811 (E_RNA) where: Base-Base interactions energy: -126.324 where: short stacking energy: -54.823 Base-Backbone interact. energy: -0.102 local terms energy: -62.891853 where: bonds (distance) C4'-P energy: -15.143 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -9.890 tors. eta vs tors. theta energy: -13.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -188.675112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.675112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.675112 (E_RNA) where: Base-Base interactions energy: -125.266 where: short stacking energy: -51.112 Base-Backbone interact. energy: 0.267 local terms energy: -63.676650 where: bonds (distance) C4'-P energy: -7.829 bonds (distance) P-C4' energy: -15.612 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -12.591 tors. eta vs tors. theta energy: -13.114 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: 6 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -84.065273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.065273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.065273 (E_RNA) where: Base-Base interactions energy: -31.332 where: short stacking energy: -31.332 Base-Backbone interact. energy: -0.077 local terms energy: -52.655513 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -1.162 tors. eta vs tors. theta energy: -10.547 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: 4 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -71.559659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.559659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.559659 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.141 local terms energy: -50.516662 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -75.527160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.527160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.527160 (E_RNA) where: Base-Base interactions energy: -42.011 where: short stacking energy: -29.681 Base-Backbone interact. energy: -0.219 local terms energy: -33.297105 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -6.258 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -1.749 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: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -222.023538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.023538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.023538 (E_RNA) where: Base-Base interactions energy: -146.214 where: short stacking energy: -70.109 Base-Backbone interact. energy: -0.021 local terms energy: -75.787649 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -14.718 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -21.509 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: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -213.734390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.734390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.734390 (E_RNA) where: Base-Base interactions energy: -144.718 where: short stacking energy: -59.278 Base-Backbone interact. energy: -0.071 local terms energy: -68.945269 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -14.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -210.979487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.979487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.979487 (E_RNA) where: Base-Base interactions energy: -145.437 where: short stacking energy: -60.344 Base-Backbone interact. energy: -0.010 local terms energy: -65.533171 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -9.423 tors. eta vs tors. theta energy: -14.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -207.183815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.183815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.183815 (E_RNA) where: Base-Base interactions energy: -134.288 where: short stacking energy: -63.096 Base-Backbone interact. energy: -0.270 local terms energy: -72.625904 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -18.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -188.153961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.153961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.153961 (E_RNA) where: Base-Base interactions energy: -118.439 where: short stacking energy: -47.322 Base-Backbone interact. energy: -0.230 local terms energy: -69.485165 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -14.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -203.516858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.516858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.516858 (E_RNA) where: Base-Base interactions energy: -135.848 where: short stacking energy: -64.220 Base-Backbone interact. energy: -0.052 local terms energy: -67.616905 where: bonds (distance) C4'-P energy: -11.412 bonds (distance) P-C4' energy: -12.409 flat angles C4'-P-C4' energy: -16.334 flat angles P-C4'-P energy: -8.730 tors. eta vs tors. theta energy: -18.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -196.574171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.574171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.574171 (E_RNA) where: Base-Base interactions energy: -127.784 where: short stacking energy: -55.660 Base-Backbone interact. energy: 0.351 local terms energy: -69.141313 where: bonds (distance) C4'-P energy: -12.220 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -16.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -97.629999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.629999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.629999 (E_RNA) where: Base-Base interactions energy: -52.394 where: short stacking energy: -32.381 Base-Backbone interact. energy: -0.031 local terms energy: -45.204728 where: bonds (distance) C4'-P energy: -9.263 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -4.049 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: 8 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -79.107267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.107267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.107267 (E_RNA) where: Base-Base interactions energy: -31.399 where: short stacking energy: -22.972 Base-Backbone interact. energy: -0.420 local terms energy: -47.288673 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: 1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -77.392587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.392587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.392587 (E_RNA) where: Base-Base interactions energy: -24.592 where: short stacking energy: -24.592 Base-Backbone interact. energy: -0.001 local terms energy: -52.799702 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -12.093 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -6.788 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: 289 Temperature: 0.900000 Total energy: -218.025306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.025306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.025306 (E_RNA) where: Base-Base interactions energy: -146.661 where: short stacking energy: -63.535 Base-Backbone interact. energy: -0.046 local terms energy: -71.317783 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -15.219 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -19.215 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: 2 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -221.516722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.516722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.516722 (E_RNA) where: Base-Base interactions energy: -146.840 where: short stacking energy: -67.623 Base-Backbone interact. energy: -0.010 local terms energy: -74.666401 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -19.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -204.910146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.910146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.910146 (E_RNA) where: Base-Base interactions energy: -143.457 where: short stacking energy: -59.153 Base-Backbone interact. energy: -0.361 local terms energy: -61.091920 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -204.544686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.544686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.544686 (E_RNA) where: Base-Base interactions energy: -128.783 where: short stacking energy: -61.921 Base-Backbone interact. energy: -0.106 local terms energy: -75.656097 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -17.235 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -13.452 tors. eta vs tors. theta energy: -15.804 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: -199.594676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.594676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.594676 (E_RNA) where: Base-Base interactions energy: -136.657 where: short stacking energy: -56.719 Base-Backbone interact. energy: -0.153 local terms energy: -62.784808 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -15.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -191.421421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.421421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.421421 (E_RNA) where: Base-Base interactions energy: -131.714 where: short stacking energy: -60.757 Base-Backbone interact. energy: -0.001 local terms energy: -59.706397 where: bonds (distance) C4'-P energy: -10.959 bonds (distance) P-C4' energy: -7.068 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -14.872 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: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -190.666801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.666801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.666801 (E_RNA) where: Base-Base interactions energy: -125.673 where: short stacking energy: -64.820 Base-Backbone interact. energy: -0.026 local terms energy: -64.967386 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -19.788 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: 8 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -75.273054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.273054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.273054 (E_RNA) where: Base-Base interactions energy: -34.283 where: short stacking energy: -27.098 Base-Backbone interact. energy: 3.530 local terms energy: -44.519863 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -4.406 tors. eta vs tors. theta energy: -5.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -86.272978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.272978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.272978 (E_RNA) where: Base-Base interactions energy: -27.375 where: short stacking energy: -27.375 Base-Backbone interact. energy: -0.035 local terms energy: -58.863506 where: bonds (distance) C4'-P energy: -16.232 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -8.659 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: 4 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -77.051008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.051008 (E_RNA) where: Base-Base interactions energy: -27.250 where: short stacking energy: -27.250 Base-Backbone interact. energy: -0.005 local terms energy: -49.796456 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -10.507 flat angles C4'-P-C4' energy: -14.750 flat angles P-C4'-P energy: -8.229 tors. eta vs tors. theta energy: -3.540 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: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -221.265740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.265740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.265740 (E_RNA) where: Base-Base interactions energy: -143.160 where: short stacking energy: -64.998 Base-Backbone interact. energy: -1.575 local terms energy: -76.531179 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -17.061 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -18.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -215.055646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.055646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.055646 (E_RNA) where: Base-Base interactions energy: -145.078 where: short stacking energy: -74.720 Base-Backbone interact. energy: -0.052 local terms energy: -69.926295 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -16.323 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -19.586 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: 1 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -206.492051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.492051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.492051 (E_RNA) where: Base-Base interactions energy: -132.157 where: short stacking energy: -60.130 Base-Backbone interact. energy: -0.099 local terms energy: -74.236802 where: bonds (distance) C4'-P energy: -13.542 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -10.906 flat angles P-C4'-P energy: -14.244 tors. eta vs tors. theta energy: -21.298 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: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -199.019290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.019290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.019290 (E_RNA) where: Base-Base interactions energy: -135.999 where: short stacking energy: -54.558 Base-Backbone interact. energy: 2.048 local terms energy: -65.068269 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -13.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -207.887143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.887143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.887143 (E_RNA) where: Base-Base interactions energy: -137.228 where: short stacking energy: -64.923 Base-Backbone interact. energy: -0.152 local terms energy: -70.506583 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -11.195 flat angles C4'-P-C4' energy: -18.584 flat angles P-C4'-P energy: -11.340 tors. eta vs tors. theta energy: -16.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -202.044597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.044597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.044597 (E_RNA) where: Base-Base interactions energy: -137.493 where: short stacking energy: -61.914 Base-Backbone interact. energy: -0.818 local terms energy: -63.733733 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -11.491 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -5.264 tors. eta vs tors. theta energy: -18.862 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: 290 Temperature: 1.200000 Total energy: -193.599016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.599016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.599016 (E_RNA) where: Base-Base interactions energy: -130.049 where: short stacking energy: -57.349 Base-Backbone interact. energy: 0.291 local terms energy: -63.840740 where: bonds (distance) C4'-P energy: -11.136 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -18.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -73.936937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.936937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.936937 (E_RNA) where: Base-Base interactions energy: -20.772 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.228 local terms energy: -52.936561 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -13.179 flat angles P-C4'-P energy: -11.039 tors. eta vs tors. theta energy: -0.867 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: 4 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -76.634624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.634624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.634624 (E_RNA) where: Base-Base interactions energy: -24.939 where: short stacking energy: -24.545 Base-Backbone interact. energy: -0.018 local terms energy: -51.678000 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.566 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -75.213775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.213775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.213775 (E_RNA) where: Base-Base interactions energy: -27.294 where: short stacking energy: -19.060 Base-Backbone interact. energy: -0.377 local terms energy: -47.543188 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -11.992 tors. eta vs tors. theta energy: 4.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -215.382193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.382193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.382193 (E_RNA) where: Base-Base interactions energy: -146.513 where: short stacking energy: -62.216 Base-Backbone interact. energy: 0.457 local terms energy: -69.326340 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -17.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -217.579979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.579979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.579979 (E_RNA) where: Base-Base interactions energy: -142.366 where: short stacking energy: -67.641 Base-Backbone interact. energy: -1.647 local terms energy: -73.566952 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -12.597 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -12.068 tors. eta vs tors. theta energy: -17.074 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: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -205.527970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.527970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.527970 (E_RNA) where: Base-Base interactions energy: -144.481 where: short stacking energy: -58.999 Base-Backbone interact. energy: -0.526 local terms energy: -60.520582 where: bonds (distance) C4'-P energy: -11.772 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -11.436 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: 4, replica: 7 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -202.603602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.603602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.603602 (E_RNA) where: Base-Base interactions energy: -140.724 where: short stacking energy: -62.444 Base-Backbone interact. energy: -0.026 local terms energy: -61.852963 where: bonds (distance) C4'-P energy: -9.524 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -17.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -199.271692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.271692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.271692 (E_RNA) where: Base-Base interactions energy: -132.007 where: short stacking energy: -58.794 Base-Backbone interact. energy: -0.788 local terms energy: -66.476384 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -17.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -198.457479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.457479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.457479 (E_RNA) where: Base-Base interactions energy: -124.067 where: short stacking energy: -57.110 Base-Backbone interact. energy: -0.003 local terms energy: -74.387931 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -16.812 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: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -187.228058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.228058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.228058 (E_RNA) where: Base-Base interactions energy: -130.165 where: short stacking energy: -57.965 Base-Backbone interact. energy: -0.654 local terms energy: -56.409447 where: bonds (distance) C4'-P energy: -7.851 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -8.618 tors. eta vs tors. theta energy: -16.897 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: 4 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -78.921337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.921337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.921337 (E_RNA) where: Base-Base interactions energy: -25.803 where: short stacking energy: -22.776 Base-Backbone interact. energy: -0.074 local terms energy: -53.043966 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -17.210 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -4.136 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: 8 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -69.021169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.021169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.021169 (E_RNA) where: Base-Base interactions energy: -21.812 where: short stacking energy: -20.486 Base-Backbone interact. energy: -0.065 local terms energy: -47.144124 where: bonds (distance) C4'-P energy: -15.363 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -9.029 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: 2.369 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: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -72.051735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.051735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.051735 (E_RNA) where: Base-Base interactions energy: -29.050 where: short stacking energy: -22.413 Base-Backbone interact. energy: -0.526 local terms energy: -42.475279 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -222.754645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.754645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.754645 (E_RNA) where: Base-Base interactions energy: -142.598 where: short stacking energy: -65.647 Base-Backbone interact. energy: -0.034 local terms energy: -80.123109 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -19.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -218.714062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.714062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.714062 (E_RNA) where: Base-Base interactions energy: -144.665 where: short stacking energy: -67.883 Base-Backbone interact. energy: -0.003 local terms energy: -74.045807 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -17.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -204.615063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.615063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.615063 (E_RNA) where: Base-Base interactions energy: -131.602 where: short stacking energy: -54.667 Base-Backbone interact. energy: -0.002 local terms energy: -73.010894 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -17.020 flat angles C4'-P-C4' energy: -15.437 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -17.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -205.585581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.585581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.585581 (E_RNA) where: Base-Base interactions energy: -140.208 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.095 local terms energy: -65.282909 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -13.189 tors. eta vs tors. theta energy: -14.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -208.769555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.769555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.769555 (E_RNA) where: Base-Base interactions energy: -142.974 where: short stacking energy: -65.687 Base-Backbone interact. energy: -0.439 local terms energy: -65.356307 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -18.087 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: 10 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -193.308788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.308788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.308788 (E_RNA) where: Base-Base interactions energy: -132.439 where: short stacking energy: -49.199 Base-Backbone interact. energy: -0.054 local terms energy: -60.815397 where: bonds (distance) C4'-P energy: -8.408 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -14.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -184.179983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.179983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.179983 (E_RNA) where: Base-Base interactions energy: -124.794 where: short stacking energy: -52.851 Base-Backbone interact. energy: 0.280 local terms energy: -59.665433 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -10.916 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: -14.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -83.920230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.920230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.920230 (E_RNA) where: Base-Base interactions energy: -39.836 where: short stacking energy: -39.836 Base-Backbone interact. energy: -0.055 local terms energy: -44.028470 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -7.176 flat angles C4'-P-C4' energy: -10.482 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -5.273 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: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -74.073903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.073903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.073903 (E_RNA) where: Base-Base interactions energy: -28.528 where: short stacking energy: -16.233 Base-Backbone interact. energy: -2.436 local terms energy: -43.110341 where: bonds (distance) C4'-P energy: -16.145 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: 4.454 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: 8 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -69.593448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.593448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.593448 (E_RNA) where: Base-Base interactions energy: -23.674 where: short stacking energy: -23.674 Base-Backbone interact. energy: 1.714 local terms energy: -47.633529 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -206.125296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.125296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.125296 (E_RNA) where: Base-Base interactions energy: -142.367 where: short stacking energy: -65.490 Base-Backbone interact. energy: -1.025 local terms energy: -62.733365 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -11.280 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -19.259 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: 7 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -209.019309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.019309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.019309 (E_RNA) where: Base-Base interactions energy: -139.844 where: short stacking energy: -56.157 Base-Backbone interact. energy: -0.211 local terms energy: -68.964752 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -17.215 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -11.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -221.204298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.204298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.204298 (E_RNA) where: Base-Base interactions energy: -144.839 where: short stacking energy: -64.351 Base-Backbone interact. energy: -2.267 local terms energy: -74.098324 where: bonds (distance) C4'-P energy: -12.932 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -18.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -207.398993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.398993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.398993 (E_RNA) where: Base-Base interactions energy: -128.879 where: short stacking energy: -61.539 Base-Backbone interact. energy: -0.003 local terms energy: -78.516940 where: bonds (distance) C4'-P energy: -16.621 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -17.786 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -202.582354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.582354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.582354 (E_RNA) where: Base-Base interactions energy: -136.824 where: short stacking energy: -58.176 Base-Backbone interact. energy: -0.017 local terms energy: -65.741201 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -17.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -206.761581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.761581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.761581 (E_RNA) where: Base-Base interactions energy: -132.286 where: short stacking energy: -59.939 Base-Backbone interact. energy: -0.002 local terms energy: -74.473613 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -22.116 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: 7, replica: 10 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -192.778200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.778200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.778200 (E_RNA) where: Base-Base interactions energy: -126.600 where: short stacking energy: -55.659 Base-Backbone interact. energy: -0.104 local terms energy: -66.073987 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -11.421 flat angles C4'-P-C4' energy: -16.077 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -18.914 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: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -87.762584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.762584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.762584 (E_RNA) where: Base-Base interactions energy: -37.333 where: short stacking energy: -37.333 Base-Backbone interact. energy: -0.080 local terms energy: -50.349667 where: bonds (distance) C4'-P energy: -7.790 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -10.118 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: 6 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -74.167675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.167675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.167675 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -26.702 Base-Backbone interact. energy: -0.282 local terms energy: -46.853718 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: 0.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -73.574096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.574096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.574096 (E_RNA) where: Base-Base interactions energy: -24.231 where: short stacking energy: -15.713 Base-Backbone interact. energy: -0.046 local terms energy: -49.297585 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: 3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -220.098163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.098163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.098163 (E_RNA) where: Base-Base interactions energy: -142.263 where: short stacking energy: -69.390 Base-Backbone interact. energy: -0.002 local terms energy: -77.833000 where: bonds (distance) C4'-P energy: -16.740 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -16.386 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -18.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -212.599336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.599336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.599336 (E_RNA) where: Base-Base interactions energy: -140.459 where: short stacking energy: -49.128 Base-Backbone interact. energy: -0.286 local terms energy: -71.854307 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -13.667 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -11.503 tors. eta vs tors. theta energy: -14.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -215.329419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.329419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.329419 (E_RNA) where: Base-Base interactions energy: -140.738 where: short stacking energy: -60.651 Base-Backbone interact. energy: -0.570 local terms energy: -74.020700 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -15.908 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -207.020407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.020407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.020407 (E_RNA) where: Base-Base interactions energy: -137.428 where: short stacking energy: -65.985 Base-Backbone interact. energy: -0.044 local terms energy: -69.547864 where: bonds (distance) C4'-P energy: -13.358 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -12.075 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -16.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -195.280060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.280060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.280060 (E_RNA) where: Base-Base interactions energy: -125.702 where: short stacking energy: -53.950 Base-Backbone interact. energy: -0.047 local terms energy: -69.530703 where: bonds (distance) C4'-P energy: -9.190 bonds (distance) P-C4' energy: -15.943 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -18.902 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: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -186.939938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.939938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.939938 (E_RNA) where: Base-Base interactions energy: -120.917 where: short stacking energy: -47.259 Base-Backbone interact. energy: -0.551 local terms energy: -65.472201 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -16.939 flat angles P-C4'-P energy: -10.649 tors. eta vs tors. theta energy: -11.073 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: 294 Temperature: 1.200000 Total energy: -193.912935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.912935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.912935 (E_RNA) where: Base-Base interactions energy: -130.189 where: short stacking energy: -58.977 Base-Backbone interact. energy: -0.124 local terms energy: -63.600618 where: bonds (distance) C4'-P energy: -10.114 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -86.503442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.503442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.503442 (E_RNA) where: Base-Base interactions energy: -35.642 where: short stacking energy: -32.147 Base-Backbone interact. energy: -0.327 local terms energy: -50.534831 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -3.153 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: 8 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -110.965798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.965798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.965798 (E_RNA) where: Base-Base interactions energy: -62.368 where: short stacking energy: -27.840 Base-Backbone interact. energy: -0.334 local terms energy: -48.263791 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -9.934 flat angles C4'-P-C4' energy: -10.188 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -72.997831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.997831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.997831 (E_RNA) where: Base-Base interactions energy: -26.079 where: short stacking energy: -24.017 Base-Backbone interact. energy: -0.025 local terms energy: -46.893361 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -11.716 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -222.094856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.094856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.094856 (E_RNA) where: Base-Base interactions energy: -144.677 where: short stacking energy: -67.357 Base-Backbone interact. energy: -0.001 local terms energy: -77.416802 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -17.581 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -19.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -215.984698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.984698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.984698 (E_RNA) where: Base-Base interactions energy: -140.526 where: short stacking energy: -68.518 Base-Backbone interact. energy: -0.004 local terms energy: -75.454281 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -15.758 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -20.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -203.914314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.914314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.914314 (E_RNA) where: Base-Base interactions energy: -130.136 where: short stacking energy: -62.551 Base-Backbone interact. energy: -0.002 local terms energy: -73.775809 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -18.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -205.791873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.791873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.791873 (E_RNA) where: Base-Base interactions energy: -130.346 where: short stacking energy: -59.058 Base-Backbone interact. energy: -0.019 local terms energy: -75.427783 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -15.496 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -19.536 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: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -210.536850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.536850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.536850 (E_RNA) where: Base-Base interactions energy: -135.101 where: short stacking energy: -60.751 Base-Backbone interact. energy: -0.003 local terms energy: -75.433027 where: bonds (distance) C4'-P energy: -15.801 bonds (distance) P-C4' energy: -11.331 flat angles C4'-P-C4' energy: -15.091 flat angles P-C4'-P energy: -13.645 tors. eta vs tors. theta energy: -19.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -196.552932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.552932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.552932 (E_RNA) where: Base-Base interactions energy: -145.842 where: short stacking energy: -54.212 Base-Backbone interact. energy: -0.046 local terms energy: -50.665020 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -8.896 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -1.731 tors. eta vs tors. theta energy: -14.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -190.828211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.828211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.828211 (E_RNA) where: Base-Base interactions energy: -122.622 where: short stacking energy: -55.702 Base-Backbone interact. energy: -0.628 local terms energy: -67.578986 where: bonds (distance) C4'-P energy: -16.178 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -86.875681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.875681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.875681 (E_RNA) where: Base-Base interactions energy: -37.538 where: short stacking energy: -35.838 Base-Backbone interact. energy: -0.164 local terms energy: -49.174473 where: bonds (distance) C4'-P energy: -10.411 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -11.176 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -5.887 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: 4 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -67.362841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.362841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.362841 (E_RNA) where: Base-Base interactions energy: -25.379 where: short stacking energy: -20.252 Base-Backbone interact. energy: -0.459 local terms energy: -41.524337 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: 5.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -71.399747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.399747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.399747 (E_RNA) where: Base-Base interactions energy: -23.788 where: short stacking energy: -20.033 Base-Backbone interact. energy: -0.402 local terms energy: -47.209803 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -15.895 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: 1.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -231.282679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.282679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.282679 (E_RNA) where: Base-Base interactions energy: -157.697 where: short stacking energy: -67.423 Base-Backbone interact. energy: -0.225 local terms energy: -73.360760 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -15.745 flat angles P-C4'-P energy: -12.740 tors. eta vs tors. theta energy: -15.978 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: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -224.263863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.263863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.263863 (E_RNA) where: Base-Base interactions energy: -145.726 where: short stacking energy: -59.312 Base-Backbone interact. energy: -0.167 local terms energy: -78.370868 where: bonds (distance) C4'-P energy: -15.487 bonds (distance) P-C4' energy: -15.715 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -13.582 tors. eta vs tors. theta energy: -19.248 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: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -214.323372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.323372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.323372 (E_RNA) where: Base-Base interactions energy: -139.257 where: short stacking energy: -65.657 Base-Backbone interact. energy: -0.188 local terms energy: -74.878484 where: bonds (distance) C4'-P energy: -12.923 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -13.043 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -208.181127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.181127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.181127 (E_RNA) where: Base-Base interactions energy: -136.578 where: short stacking energy: -66.582 Base-Backbone interact. energy: -0.001 local terms energy: -71.602153 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -14.087 flat angles C4'-P-C4' energy: -13.052 flat angles P-C4'-P energy: -12.809 tors. eta vs tors. theta energy: -17.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -198.122698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.122698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.122698 (E_RNA) where: Base-Base interactions energy: -122.884 where: short stacking energy: -56.180 Base-Backbone interact. energy: -0.087 local terms energy: -75.151851 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -16.482 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -18.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -192.005643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.005643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.005643 (E_RNA) where: Base-Base interactions energy: -126.693 where: short stacking energy: -56.244 Base-Backbone interact. energy: -1.635 local terms energy: -63.677257 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -18.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -195.694199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.694199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.694199 (E_RNA) where: Base-Base interactions energy: -123.795 where: short stacking energy: -51.742 Base-Backbone interact. energy: -0.406 local terms energy: -71.492872 where: bonds (distance) C4'-P energy: -12.348 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -15.672 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -71.837454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.837454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.837454 (E_RNA) where: Base-Base interactions energy: -22.536 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.181 local terms energy: -49.120615 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -11.051 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: 0.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -81.724264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.724264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.724264 (E_RNA) where: Base-Base interactions energy: -32.080 where: short stacking energy: -22.443 Base-Backbone interact. energy: 0.761 local terms energy: -50.405328 where: bonds (distance) C4'-P energy: -15.123 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: 1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -73.361711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.361711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.361711 (E_RNA) where: Base-Base interactions energy: -24.772 where: short stacking energy: -23.076 Base-Backbone interact. energy: -0.264 local terms energy: -48.325725 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -9.448 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: 5 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -230.276574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.276574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.276574 (E_RNA) where: Base-Base interactions energy: -159.558 where: short stacking energy: -67.124 Base-Backbone interact. energy: -0.018 local terms energy: -70.699705 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -17.635 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: 297 Temperature: 0.950000 Total energy: -216.242354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.242354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.242354 (E_RNA) where: Base-Base interactions energy: -139.721 where: short stacking energy: -63.095 Base-Backbone interact. energy: -0.282 local terms energy: -76.239571 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -16.015 flat angles C4'-P-C4' energy: -16.610 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -20.016 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: 9 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -221.527599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.527599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.527599 (E_RNA) where: Base-Base interactions energy: -144.898 where: short stacking energy: -67.948 Base-Backbone interact. energy: 0.020 local terms energy: -76.649807 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -15.252 flat angles C4'-P-C4' energy: -17.000 flat angles P-C4'-P energy: -13.299 tors. eta vs tors. theta energy: -17.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -214.871217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.871217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.871217 (E_RNA) where: Base-Base interactions energy: -141.170 where: short stacking energy: -52.413 Base-Backbone interact. energy: -0.084 local terms energy: -73.617638 where: bonds (distance) C4'-P energy: -16.864 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -204.047643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.047643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.047643 (E_RNA) where: Base-Base interactions energy: -131.011 where: short stacking energy: -60.457 Base-Backbone interact. energy: -0.004 local terms energy: -73.033291 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -13.425 flat angles C4'-P-C4' energy: -15.712 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -18.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -195.584283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.584283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.584283 (E_RNA) where: Base-Base interactions energy: -130.954 where: short stacking energy: -58.742 Base-Backbone interact. energy: -0.011 local terms energy: -64.620098 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -10.846 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -17.079 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: 297 Temperature: 1.200000 Total energy: -190.876677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.876677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.876677 (E_RNA) where: Base-Base interactions energy: -125.081 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.597 local terms energy: -65.198465 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -16.873 flat angles C4'-P-C4' energy: -11.095 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -87.930579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.930579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.930579 (E_RNA) where: Base-Base interactions energy: -25.520 where: short stacking energy: -25.520 Base-Backbone interact. energy: -0.377 local terms energy: -62.032783 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -15.141 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -10.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -90.923838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.923838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.923838 (E_RNA) where: Base-Base interactions energy: -34.229 where: short stacking energy: -31.806 Base-Backbone interact. energy: -0.282 local terms energy: -56.412862 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -6.774 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: 4 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -74.147948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.147948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.147948 (E_RNA) where: Base-Base interactions energy: -28.305 where: short stacking energy: -22.864 Base-Backbone interact. energy: -0.347 local terms energy: -45.496028 where: bonds (distance) C4'-P energy: -9.608 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -0.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -223.959847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.959847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.959847 (E_RNA) where: Base-Base interactions energy: -148.681 where: short stacking energy: -68.521 Base-Backbone interact. energy: -0.215 local terms energy: -75.063672 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -15.668 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -19.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -215.633797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.633797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.633797 (E_RNA) where: Base-Base interactions energy: -141.573 where: short stacking energy: -66.881 Base-Backbone interact. energy: -0.253 local terms energy: -73.807793 where: bonds (distance) C4'-P energy: -8.481 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -12.469 tors. eta vs tors. theta energy: -20.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -219.857097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.857097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.857097 (E_RNA) where: Base-Base interactions energy: -152.604 where: short stacking energy: -57.304 Base-Backbone interact. energy: 0.797 local terms energy: -68.050355 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -16.300 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -15.012 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: 4, replica: 9 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -212.047061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.047061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.047061 (E_RNA) where: Base-Base interactions energy: -139.972 where: short stacking energy: -61.805 Base-Backbone interact. energy: -0.368 local terms energy: -71.707043 where: bonds (distance) C4'-P energy: -16.181 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -20.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -202.892446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.892446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.892446 (E_RNA) where: Base-Base interactions energy: -134.676 where: short stacking energy: -58.972 Base-Backbone interact. energy: -0.519 local terms energy: -67.697202 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -12.118 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -17.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -202.881403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.881403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.881403 (E_RNA) where: Base-Base interactions energy: -134.908 where: short stacking energy: -52.564 Base-Backbone interact. energy: -0.181 local terms energy: -67.792068 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -10.617 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: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -190.729889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.729889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.729889 (E_RNA) where: Base-Base interactions energy: -129.355 where: short stacking energy: -56.097 Base-Backbone interact. energy: -0.114 local terms energy: -61.261742 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -15.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -85.764267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.764267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.764267 (E_RNA) where: Base-Base interactions energy: -36.899 where: short stacking energy: -36.899 Base-Backbone interact. energy: -0.177 local terms energy: -48.688552 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -10.608 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -9.997 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: 9, replica: 4 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -84.210025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.210025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.210025 (E_RNA) where: Base-Base interactions energy: -32.229 where: short stacking energy: -31.003 Base-Backbone interact. energy: -0.099 local terms energy: -51.882256 where: bonds (distance) C4'-P energy: -9.686 bonds (distance) P-C4' energy: -12.056 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -7.254 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: 8 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -71.774845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.774845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.774845 (E_RNA) where: Base-Base interactions energy: -28.033 where: short stacking energy: -14.919 Base-Backbone interact. energy: -0.171 local terms energy: -43.571442 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -9.350 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: 3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -223.597124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.597124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.597124 (E_RNA) where: Base-Base interactions energy: -151.491 where: short stacking energy: -66.838 Base-Backbone interact. energy: -0.031 local terms energy: -72.075174 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -20.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -219.337593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.337593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.337593 (E_RNA) where: Base-Base interactions energy: -143.300 where: short stacking energy: -68.987 Base-Backbone interact. energy: -3.500 local terms energy: -72.537697 where: bonds (distance) C4'-P energy: -13.732 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -21.864 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: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -219.111933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.111933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.111933 (E_RNA) where: Base-Base interactions energy: -151.658 where: short stacking energy: -57.390 Base-Backbone interact. energy: -0.202 local terms energy: -67.252262 where: bonds (distance) C4'-P energy: -10.653 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -14.375 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -14.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -197.019866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.019866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.019866 (E_RNA) where: Base-Base interactions energy: -126.503 where: short stacking energy: -50.455 Base-Backbone interact. energy: 0.397 local terms energy: -70.913497 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -17.854 flat angles P-C4'-P energy: -11.796 tors. eta vs tors. theta energy: -12.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -204.893962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.893962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.893962 (E_RNA) where: Base-Base interactions energy: -141.277 where: short stacking energy: -61.072 Base-Backbone interact. energy: -1.372 local terms energy: -62.244742 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -17.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -193.306306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.306306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.306306 (E_RNA) where: Base-Base interactions energy: -129.672 where: short stacking energy: -58.325 Base-Backbone interact. energy: -0.172 local terms energy: -63.462172 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -15.117 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -6.669 tors. eta vs tors. theta energy: -14.124 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: 1 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -185.246926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.246926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.246926 (E_RNA) where: Base-Base interactions energy: -123.521 where: short stacking energy: -54.822 Base-Backbone interact. energy: -0.442 local terms energy: -61.283139 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -13.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -91.678386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.678386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.678386 (E_RNA) where: Base-Base interactions energy: -52.894 where: short stacking energy: -28.944 Base-Backbone interact. energy: -1.349 local terms energy: -37.435219 where: bonds (distance) C4'-P energy: -8.849 bonds (distance) P-C4' energy: -10.027 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -2.559 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: 6 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -87.932280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.932280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.932280 (E_RNA) where: Base-Base interactions energy: -41.559 where: short stacking energy: -31.670 Base-Backbone interact. energy: -0.100 local terms energy: -46.272861 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -11.577 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -75.033337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.033337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.033337 (E_RNA) where: Base-Base interactions energy: -23.597 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.043 local terms energy: -51.393979 where: bonds (distance) C4'-P energy: -9.183 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -224.265413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.265413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.265413 (E_RNA) where: Base-Base interactions energy: -150.563 where: short stacking energy: -69.180 Base-Backbone interact. energy: -0.001 local terms energy: -73.700812 where: bonds (distance) C4'-P energy: -16.107 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -8.062 tors. eta vs tors. theta energy: -19.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -210.552423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.552423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.552423 (E_RNA) where: Base-Base interactions energy: -140.118 where: short stacking energy: -66.441 Base-Backbone interact. energy: 0.317 local terms energy: -70.751394 where: bonds (distance) C4'-P energy: -14.829 bonds (distance) P-C4' energy: -14.223 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -17.872 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: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -212.250665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.250665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.250665 (E_RNA) where: Base-Base interactions energy: -135.964 where: short stacking energy: -61.820 Base-Backbone interact. energy: -0.041 local terms energy: -76.244839 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -16.009 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -20.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -203.887600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.887600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.887600 (E_RNA) where: Base-Base interactions energy: -136.212 where: short stacking energy: -62.428 Base-Backbone interact. energy: -0.001 local terms energy: -67.673929 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -8.620 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -12.715 tors. eta vs tors. theta energy: -20.093 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: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -206.042551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.042551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.042551 (E_RNA) where: Base-Base interactions energy: -134.241 where: short stacking energy: -63.529 Base-Backbone interact. energy: -0.056 local terms energy: -71.746342 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -15.186 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -20.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -198.717064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.717064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.717064 (E_RNA) where: Base-Base interactions energy: -131.513 where: short stacking energy: -49.847 Base-Backbone interact. energy: -0.343 local terms energy: -66.860877 where: bonds (distance) C4'-P energy: -15.056 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -13.166 tors. eta vs tors. theta energy: -13.985 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: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -187.700327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.700327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.700327 (E_RNA) where: Base-Base interactions energy: -124.424 where: short stacking energy: -49.486 Base-Backbone interact. energy: -0.091 local terms energy: -63.186070 where: bonds (distance) C4'-P energy: -9.355 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -11.925 tors. eta vs tors. theta energy: -16.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -83.031267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.031267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.031267 (E_RNA) where: Base-Base interactions energy: -36.822 where: short stacking energy: -29.745 Base-Backbone interact. energy: -0.047 local terms energy: -46.162603 where: bonds (distance) C4'-P energy: -12.370 bonds (distance) P-C4' energy: -11.270 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -11.042 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: 9, replica: 8 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -88.011069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.011069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.011069 (E_RNA) where: Base-Base interactions energy: -37.884 where: short stacking energy: -32.421 Base-Backbone interact. energy: -0.106 local terms energy: -50.021642 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -67.826854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.826854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.826854 (E_RNA) where: Base-Base interactions energy: -18.449 where: short stacking energy: -16.269 Base-Backbone interact. energy: -0.222 local terms energy: -49.155560 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -13.496 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -2.279 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: 7 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -220.719085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.719085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.719085 (E_RNA) where: Base-Base interactions energy: -148.434 where: short stacking energy: -69.685 Base-Backbone interact. energy: -1.199 local terms energy: -71.086273 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -22.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -219.312077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.312077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.312077 (E_RNA) where: Base-Base interactions energy: -145.419 where: short stacking energy: -72.785 Base-Backbone interact. energy: -0.005 local terms energy: -73.888708 where: bonds (distance) C4'-P energy: -12.085 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -20.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -209.232273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.232273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.232273 (E_RNA) where: Base-Base interactions energy: -143.076 where: short stacking energy: -65.098 Base-Backbone interact. energy: -0.005 local terms energy: -66.150990 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -15.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -198.758279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.758279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.758279 (E_RNA) where: Base-Base interactions energy: -131.469 where: short stacking energy: -59.283 Base-Backbone interact. energy: -0.073 local terms energy: -67.216390 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -16.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -203.661613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.661613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.661613 (E_RNA) where: Base-Base interactions energy: -136.636 where: short stacking energy: -62.774 Base-Backbone interact. energy: 3.783 local terms energy: -70.808511 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -19.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -201.351513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.351513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.351513 (E_RNA) where: Base-Base interactions energy: -138.614 where: short stacking energy: -62.740 Base-Backbone interact. energy: -0.022 local terms energy: -62.714914 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -17.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -199.843894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.843894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.843894 (E_RNA) where: Base-Base interactions energy: -138.283 where: short stacking energy: -50.889 Base-Backbone interact. energy: -0.749 local terms energy: -60.811664 where: bonds (distance) C4'-P energy: -14.028 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -10.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -116.225263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.225263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.225263 (E_RNA) where: Base-Base interactions energy: -61.711 where: short stacking energy: -32.972 Base-Backbone interact. energy: 0.299 local terms energy: -54.813642 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -78.477474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.477474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.477474 (E_RNA) where: Base-Base interactions energy: -26.567 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.214 local terms energy: -51.696694 where: bonds (distance) C4'-P energy: -17.300 bonds (distance) P-C4' energy: -16.183 flat angles C4'-P-C4' energy: -9.836 flat angles P-C4'-P energy: -6.433 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -91.283670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.283670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.283670 (E_RNA) where: Base-Base interactions energy: -45.303 where: short stacking energy: -23.766 Base-Backbone interact. energy: 1.950 local terms energy: -47.930366 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -12.963 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -225.286400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.286400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.286400 (E_RNA) where: Base-Base interactions energy: -143.073 where: short stacking energy: -66.453 Base-Backbone interact. energy: -2.363 local terms energy: -79.850173 where: bonds (distance) C4'-P energy: -15.226 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -17.558 flat angles P-C4'-P energy: -12.136 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: 2, replica: 7 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -219.288384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.288384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.288384 (E_RNA) where: Base-Base interactions energy: -138.975 where: short stacking energy: -62.748 Base-Backbone interact. energy: -2.738 local terms energy: -77.575632 where: bonds (distance) C4'-P energy: -14.345 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -10.853 tors. eta vs tors. theta energy: -21.330 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: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -212.618107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.618107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.618107 (E_RNA) where: Base-Base interactions energy: -145.075 where: short stacking energy: -64.006 Base-Backbone interact. energy: 0.791 local terms energy: -68.334794 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -18.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -214.406000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.406000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.406000 (E_RNA) where: Base-Base interactions energy: -140.167 where: short stacking energy: -62.724 Base-Backbone interact. energy: -0.421 local terms energy: -73.818705 where: bonds (distance) C4'-P energy: -11.317 bonds (distance) P-C4' energy: -17.305 flat angles C4'-P-C4' energy: -16.527 flat angles P-C4'-P energy: -11.794 tors. eta vs tors. theta energy: -16.875 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: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -200.008493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.008493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.008493 (E_RNA) where: Base-Base interactions energy: -132.979 where: short stacking energy: -59.048 Base-Backbone interact. energy: -0.042 local terms energy: -66.987208 where: bonds (distance) C4'-P energy: -9.298 bonds (distance) P-C4' energy: -12.228 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -13.050 tors. eta vs tors. theta energy: -17.737 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: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -192.840328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.840328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.840328 (E_RNA) where: Base-Base interactions energy: -128.230 where: short stacking energy: -52.612 Base-Backbone interact. energy: -0.014 local terms energy: -64.596260 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -10.510 flat angles P-C4'-P energy: -12.757 tors. eta vs tors. theta energy: -16.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -198.079822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.079822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.079822 (E_RNA) where: Base-Base interactions energy: -129.477 where: short stacking energy: -55.686 Base-Backbone interact. energy: 0.086 local terms energy: -68.688944 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -15.735 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -15.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -116.339944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.339944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.339944 (E_RNA) where: Base-Base interactions energy: -63.708 where: short stacking energy: -31.493 Base-Backbone interact. energy: 1.221 local terms energy: -53.853818 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -4.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -81.901385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.901385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.901385 (E_RNA) where: Base-Base interactions energy: -33.537 where: short stacking energy: -24.156 Base-Backbone interact. energy: -0.494 local terms energy: -47.870435 where: bonds (distance) C4'-P energy: -7.955 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -0.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -69.855883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.855883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.855883 (E_RNA) where: Base-Base interactions energy: -22.877 where: short stacking energy: -18.781 Base-Backbone interact. energy: -2.431 local terms energy: -44.548053 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -10.908 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: 0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -217.765976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.765976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.765976 (E_RNA) where: Base-Base interactions energy: -144.828 where: short stacking energy: -68.131 Base-Backbone interact. energy: -0.088 local terms energy: -72.850559 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -15.405 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -9.594 tors. eta vs tors. theta energy: -19.651 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: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -219.642980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.642980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.642980 (E_RNA) where: Base-Base interactions energy: -148.963 where: short stacking energy: -65.655 Base-Backbone interact. energy: -0.002 local terms energy: -70.677840 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -15.895 flat angles C4'-P-C4' energy: -16.450 flat angles P-C4'-P energy: -12.076 tors. eta vs tors. theta energy: -16.898 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: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -214.938289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.938289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.938289 (E_RNA) where: Base-Base interactions energy: -143.927 where: short stacking energy: -48.928 Base-Backbone interact. energy: 0.257 local terms energy: -71.268201 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -14.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -207.505866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.505866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.505866 (E_RNA) where: Base-Base interactions energy: -143.630 where: short stacking energy: -53.704 Base-Backbone interact. energy: -0.176 local terms energy: -63.699738 where: bonds (distance) C4'-P energy: -13.170 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -7.043 tors. eta vs tors. theta energy: -13.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -205.408706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.408706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.408706 (E_RNA) where: Base-Base interactions energy: -138.943 where: short stacking energy: -64.749 Base-Backbone interact. energy: -0.259 local terms energy: -66.206876 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -15.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -189.501814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.501814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.501814 (E_RNA) where: Base-Base interactions energy: -125.722 where: short stacking energy: -39.492 Base-Backbone interact. energy: -0.194 local terms energy: -63.585389 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -17.537 flat angles P-C4'-P energy: -8.645 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -187.460226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.460226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.460226 (E_RNA) where: Base-Base interactions energy: -128.693 where: short stacking energy: -49.620 Base-Backbone interact. energy: -0.217 local terms energy: -58.550277 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -13.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -82.209029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.209029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.209029 (E_RNA) where: Base-Base interactions energy: -40.703 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.232 local terms energy: -41.273904 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -9.496 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -7.371 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -71.338462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.338462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.338462 (E_RNA) where: Base-Base interactions energy: -22.664 where: short stacking energy: -22.664 Base-Backbone interact. energy: -0.008 local terms energy: -48.666357 where: bonds (distance) C4'-P energy: -13.636 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: 0.387 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: 6 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -75.634429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.634429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.634429 (E_RNA) where: Base-Base interactions energy: -44.566 where: short stacking energy: -27.409 Base-Backbone interact. energy: -0.528 local terms energy: -30.540721 where: bonds (distance) C4'-P energy: -3.285 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -221.762188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.762188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.762188 (E_RNA) where: Base-Base interactions energy: -145.671 where: short stacking energy: -64.428 Base-Backbone interact. energy: -0.005 local terms energy: -76.086598 where: bonds (distance) C4'-P energy: -15.686 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -17.527 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -20.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -218.360166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.360166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.360166 (E_RNA) where: Base-Base interactions energy: -152.008 where: short stacking energy: -63.751 Base-Backbone interact. energy: -0.064 local terms energy: -66.288392 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -16.023 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: 304 Temperature: 1.000000 Total energy: -207.832153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.832153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.832153 (E_RNA) where: Base-Base interactions energy: -134.968 where: short stacking energy: -60.559 Base-Backbone interact. energy: -0.011 local terms energy: -72.852643 where: bonds (distance) C4'-P energy: -16.827 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -17.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -213.129680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.129680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.129680 (E_RNA) where: Base-Base interactions energy: -142.726 where: short stacking energy: -64.077 Base-Backbone interact. energy: 0.948 local terms energy: -71.352218 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -18.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -206.634663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.634663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.634663 (E_RNA) where: Base-Base interactions energy: -133.664 where: short stacking energy: -60.110 Base-Backbone interact. energy: -1.292 local terms energy: -71.678873 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -8.986 tors. eta vs tors. theta energy: -19.122 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: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -199.936860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.936860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.936860 (E_RNA) where: Base-Base interactions energy: -128.207 where: short stacking energy: -55.899 Base-Backbone interact. energy: -0.013 local terms energy: -71.716704 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -18.511 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: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -179.049507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.049507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.049507 (E_RNA) where: Base-Base interactions energy: -120.471 where: short stacking energy: -50.621 Base-Backbone interact. energy: -0.105 local terms energy: -58.473671 where: bonds (distance) C4'-P energy: -12.396 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -6.363 tors. eta vs tors. theta energy: -12.081 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: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -88.092672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.092672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.092672 (E_RNA) where: Base-Base interactions energy: -38.050 where: short stacking energy: -38.050 Base-Backbone interact. energy: 0.014 local terms energy: -50.056061 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -8.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -97.573388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.573388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.573388 (E_RNA) where: Base-Base interactions energy: -53.474 where: short stacking energy: -25.754 Base-Backbone interact. energy: -0.278 local terms energy: -43.820761 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -9.349 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -79.526331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.526331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.526331 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -25.982 Base-Backbone interact. energy: -0.129 local terms energy: -51.842508 where: bonds (distance) C4'-P energy: -9.990 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -8.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -224.038469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.038469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.038469 (E_RNA) where: Base-Base interactions energy: -150.049 where: short stacking energy: -64.732 Base-Backbone interact. energy: -0.009 local terms energy: -73.980814 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -11.360 tors. eta vs tors. theta energy: -18.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -219.781889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.781889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.781889 (E_RNA) where: Base-Base interactions energy: -143.730 where: short stacking energy: -60.247 Base-Backbone interact. energy: -0.436 local terms energy: -75.615833 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -14.591 flat angles P-C4'-P energy: -10.913 tors. eta vs tors. theta energy: -18.351 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: 305 Temperature: 1.000000 Total energy: -209.349644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.349644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.349644 (E_RNA) where: Base-Base interactions energy: -143.566 where: short stacking energy: -59.472 Base-Backbone interact. energy: -0.626 local terms energy: -65.158352 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -206.541631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.541631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.541631 (E_RNA) where: Base-Base interactions energy: -128.185 where: short stacking energy: -52.266 Base-Backbone interact. energy: -0.427 local terms energy: -77.929512 where: bonds (distance) C4'-P energy: -17.192 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -12.438 tors. eta vs tors. theta energy: -18.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -205.112130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.112130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.112130 (E_RNA) where: Base-Base interactions energy: -126.656 where: short stacking energy: -59.409 Base-Backbone interact. energy: 2.303 local terms energy: -80.759015 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -16.021 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -13.620 tors. eta vs tors. theta energy: -19.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -202.052086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.052086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.052086 (E_RNA) where: Base-Base interactions energy: -134.531 where: short stacking energy: -46.828 Base-Backbone interact. energy: -0.142 local terms energy: -67.378897 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -16.112 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -11.121 tors. eta vs tors. theta energy: -12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -187.347749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.347749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.347749 (E_RNA) where: Base-Base interactions energy: -131.879 where: short stacking energy: -54.165 Base-Backbone interact. energy: -0.076 local terms energy: -55.392492 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -10.762 flat angles C4'-P-C4' energy: -5.859 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -120.743823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.743823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.743823 (E_RNA) where: Base-Base interactions energy: -70.324 where: short stacking energy: -24.905 Base-Backbone interact. energy: -0.167 local terms energy: -50.252592 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -4.806 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -78.196475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.196475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.196475 (E_RNA) where: Base-Base interactions energy: -36.124 where: short stacking energy: -20.270 Base-Backbone interact. energy: -0.083 local terms energy: -41.988751 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -12.590 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: 2.694 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: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -74.965862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.965862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.965862 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -21.457 Base-Backbone interact. energy: -0.119 local terms energy: -50.460643 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -2.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -221.018387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.018387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.018387 (E_RNA) where: Base-Base interactions energy: -145.647 where: short stacking energy: -65.112 Base-Backbone interact. energy: -0.014 local terms energy: -75.357369 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -20.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -220.618907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.618907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.618907 (E_RNA) where: Base-Base interactions energy: -146.759 where: short stacking energy: -63.562 Base-Backbone interact. energy: -0.001 local terms energy: -73.858172 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -16.079 flat angles C4'-P-C4' energy: -15.456 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -17.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -213.926934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.926934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.926934 (E_RNA) where: Base-Base interactions energy: -145.074 where: short stacking energy: -61.028 Base-Backbone interact. energy: 0.634 local terms energy: -69.486648 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -15.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -200.256206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.256206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.256206 (E_RNA) where: Base-Base interactions energy: -139.095 where: short stacking energy: -58.696 Base-Backbone interact. energy: -0.059 local terms energy: -61.102410 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -12.658 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -14.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -207.702598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.702598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.702598 (E_RNA) where: Base-Base interactions energy: -148.794 where: short stacking energy: -49.456 Base-Backbone interact. energy: -0.210 local terms energy: -58.697997 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -10.986 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -193.612575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.612575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.612575 (E_RNA) where: Base-Base interactions energy: -130.361 where: short stacking energy: -53.637 Base-Backbone interact. energy: -0.020 local terms energy: -63.231437 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -12.692 tors. eta vs tors. theta energy: -12.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -206.560756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.560756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.560756 (E_RNA) where: Base-Base interactions energy: -150.449 where: short stacking energy: -52.950 Base-Backbone interact. energy: -0.312 local terms energy: -55.799123 where: bonds (distance) C4'-P energy: -9.999 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -9.188 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -77.104336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.104336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.104336 (E_RNA) where: Base-Base interactions energy: -28.916 where: short stacking energy: -28.485 Base-Backbone interact. energy: -0.082 local terms energy: -48.106367 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -14.627 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -86.204084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.204084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.204084 (E_RNA) where: Base-Base interactions energy: -35.411 where: short stacking energy: -28.239 Base-Backbone interact. energy: -0.065 local terms energy: -50.728000 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -10.863 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -5.894 tors. eta vs tors. theta energy: -6.252 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: 10, replica: 6 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -74.849271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.849271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.849271 (E_RNA) where: Base-Base interactions energy: -24.532 where: short stacking energy: -24.493 Base-Backbone interact. energy: -0.818 local terms energy: -49.499042 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -13.001 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -3.312 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: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -213.287338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.287338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.287338 (E_RNA) where: Base-Base interactions energy: -137.716 where: short stacking energy: -63.038 Base-Backbone interact. energy: -0.076 local terms energy: -75.496000 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -19.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -217.845084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.845084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.845084 (E_RNA) where: Base-Base interactions energy: -150.662 where: short stacking energy: -62.713 Base-Backbone interact. energy: -0.307 local terms energy: -66.875569 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -17.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -219.068500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.068500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.068500 (E_RNA) where: Base-Base interactions energy: -146.207 where: short stacking energy: -56.157 Base-Backbone interact. energy: -0.479 local terms energy: -72.382507 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -18.164 flat angles P-C4'-P energy: -10.601 tors. eta vs tors. theta energy: -14.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -211.076697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.076697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.076697 (E_RNA) where: Base-Base interactions energy: -147.117 where: short stacking energy: -56.138 Base-Backbone interact. energy: -0.216 local terms energy: -63.743722 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -16.087 flat angles C4'-P-C4' energy: -12.696 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -14.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -202.394304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.394304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.394304 (E_RNA) where: Base-Base interactions energy: -135.833 where: short stacking energy: -65.911 Base-Backbone interact. energy: -0.168 local terms energy: -66.392708 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -17.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -196.684240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.684240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.684240 (E_RNA) where: Base-Base interactions energy: -123.358 where: short stacking energy: -53.118 Base-Backbone interact. energy: -1.630 local terms energy: -71.695540 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -18.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -186.299033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.299033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.299033 (E_RNA) where: Base-Base interactions energy: -125.503 where: short stacking energy: -57.094 Base-Backbone interact. energy: 0.105 local terms energy: -60.901284 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -80.107538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.107538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.107538 (E_RNA) where: Base-Base interactions energy: -30.469 where: short stacking energy: -17.007 Base-Backbone interact. energy: 0.294 local terms energy: -49.932276 where: bonds (distance) C4'-P energy: -10.196 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -3.430 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: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -77.895420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.895420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.895420 (E_RNA) where: Base-Base interactions energy: -23.206 where: short stacking energy: -23.206 Base-Backbone interact. energy: -0.024 local terms energy: -54.665388 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -5.960 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: 6 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -71.609556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.609556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.609556 (E_RNA) where: Base-Base interactions energy: -27.057 where: short stacking energy: -21.889 Base-Backbone interact. energy: -0.191 local terms energy: -44.361491 where: bonds (distance) C4'-P energy: -9.738 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -10.774 flat angles P-C4'-P energy: -7.259 tors. eta vs tors. theta energy: -0.205 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: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -221.143296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.143296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.143296 (E_RNA) where: Base-Base interactions energy: -148.568 where: short stacking energy: -71.856 Base-Backbone interact. energy: -0.006 local terms energy: -72.569026 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -20.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -218.947078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.947078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.947078 (E_RNA) where: Base-Base interactions energy: -147.868 where: short stacking energy: -65.570 Base-Backbone interact. energy: -0.016 local terms energy: -71.062469 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -10.095 flat angles C4'-P-C4' energy: -15.925 flat angles P-C4'-P energy: -13.359 tors. eta vs tors. theta energy: -16.312 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: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -216.703028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.703028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.703028 (E_RNA) where: Base-Base interactions energy: -151.730 where: short stacking energy: -56.793 Base-Backbone interact. energy: -0.399 local terms energy: -64.574446 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -9.993 flat angles C4'-P-C4' energy: -14.411 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -15.842 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: 10 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -200.833969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.833969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.833969 (E_RNA) where: Base-Base interactions energy: -129.662 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.487 local terms energy: -70.685732 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -13.651 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -20.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -205.322546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.322546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.322546 (E_RNA) where: Base-Base interactions energy: -145.808 where: short stacking energy: -51.111 Base-Backbone interact. energy: -0.372 local terms energy: -59.142040 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -9.867 flat angles C4'-P-C4' energy: -12.615 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -14.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -199.965397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.965397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.965397 (E_RNA) where: Base-Base interactions energy: -138.334 where: short stacking energy: -49.762 Base-Backbone interact. energy: -0.026 local terms energy: -61.605140 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -14.930 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -199.181520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.181520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.181520 (E_RNA) where: Base-Base interactions energy: -128.825 where: short stacking energy: -51.799 Base-Backbone interact. energy: -0.008 local terms energy: -70.348763 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -16.104 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: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -84.749080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.749080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.749080 (E_RNA) where: Base-Base interactions energy: -36.517 where: short stacking energy: -36.166 Base-Backbone interact. energy: -0.051 local terms energy: -48.181157 where: bonds (distance) C4'-P energy: -8.917 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -7.413 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: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -75.739473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.739473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.739473 (E_RNA) where: Base-Base interactions energy: -31.848 where: short stacking energy: -30.741 Base-Backbone interact. energy: -0.112 local terms energy: -43.779646 where: bonds (distance) C4'-P energy: -7.239 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -10.259 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -7.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -68.201074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.201074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.201074 (E_RNA) where: Base-Base interactions energy: -20.849 where: short stacking energy: -20.346 Base-Backbone interact. energy: 0.351 local terms energy: -47.703012 where: bonds (distance) C4'-P energy: -9.529 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -2.942 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: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -226.851184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.851184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.851184 (E_RNA) where: Base-Base interactions energy: -155.482 where: short stacking energy: -68.019 Base-Backbone interact. energy: -0.007 local terms energy: -71.362405 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -15.307 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -17.783 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: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -209.500592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.500592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.500592 (E_RNA) where: Base-Base interactions energy: -138.986 where: short stacking energy: -64.575 Base-Backbone interact. energy: -0.002 local terms energy: -70.512241 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -16.509 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -224.724078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.724078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.724078 (E_RNA) where: Base-Base interactions energy: -149.818 where: short stacking energy: -62.144 Base-Backbone interact. energy: -1.185 local terms energy: -73.721171 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -197.830412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.830412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.830412 (E_RNA) where: Base-Base interactions energy: -131.656 where: short stacking energy: -58.987 Base-Backbone interact. energy: -0.017 local terms energy: -66.157443 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -16.757 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -13.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -197.727684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.727684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.727684 (E_RNA) where: Base-Base interactions energy: -126.357 where: short stacking energy: -57.229 Base-Backbone interact. energy: 0.264 local terms energy: -71.635169 where: bonds (distance) C4'-P energy: -12.737 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -18.586 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: 6, replica: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -194.797972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.797972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.797972 (E_RNA) where: Base-Base interactions energy: -135.849 where: short stacking energy: -55.724 Base-Backbone interact. energy: -0.049 local terms energy: -58.900283 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -9.076 tors. eta vs tors. theta energy: -12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -192.451230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.451230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.451230 (E_RNA) where: Base-Base interactions energy: -128.683 where: short stacking energy: -54.445 Base-Backbone interact. energy: 0.127 local terms energy: -63.895525 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -90.635015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.635015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.635015 (E_RNA) where: Base-Base interactions energy: -43.678 where: short stacking energy: -29.857 Base-Backbone interact. energy: -0.166 local terms energy: -46.790970 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -9.520 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -77.823545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.823545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.823545 (E_RNA) where: Base-Base interactions energy: -31.047 where: short stacking energy: -24.450 Base-Backbone interact. energy: -1.172 local terms energy: -45.604540 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -12.844 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -3.154 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: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -83.098851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.098851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.098851 (E_RNA) where: Base-Base interactions energy: -32.811 where: short stacking energy: -19.339 Base-Backbone interact. energy: 1.537 local terms energy: -51.825270 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -10.049 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -219.569210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.569210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.569210 (E_RNA) where: Base-Base interactions energy: -138.794 where: short stacking energy: -63.918 Base-Backbone interact. energy: -0.023 local terms energy: -80.752130 where: bonds (distance) C4'-P energy: -14.257 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -11.976 tors. eta vs tors. theta energy: -20.609 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: 2 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -223.612061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.612061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.612061 (E_RNA) where: Base-Base interactions energy: -149.576 where: short stacking energy: -62.530 Base-Backbone interact. energy: -2.067 local terms energy: -71.969626 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -12.333 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -213.237351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.237351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.237351 (E_RNA) where: Base-Base interactions energy: -144.972 where: short stacking energy: -52.226 Base-Backbone interact. energy: 0.493 local terms energy: -68.758418 where: bonds (distance) C4'-P energy: -15.234 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -15.289 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: 3 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -207.325069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.325069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.325069 (E_RNA) where: Base-Base interactions energy: -142.056 where: short stacking energy: -62.399 Base-Backbone interact. energy: -0.707 local terms energy: -64.562080 where: bonds (distance) C4'-P energy: -11.492 bonds (distance) P-C4' energy: -13.591 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -14.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -196.044186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.044186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.044186 (E_RNA) where: Base-Base interactions energy: -132.837 where: short stacking energy: -66.144 Base-Backbone interact. energy: -0.005 local terms energy: -63.202077 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -8.258 flat angles C4'-P-C4' energy: -9.848 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -18.691 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: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -189.166191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.166191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.166191 (E_RNA) where: Base-Base interactions energy: -125.991 where: short stacking energy: -53.687 Base-Backbone interact. energy: -0.252 local terms energy: -62.923276 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -14.000 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -8.587 tors. eta vs tors. theta energy: -14.335 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: 7 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -194.807975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.807975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.807975 (E_RNA) where: Base-Base interactions energy: -128.777 where: short stacking energy: -53.629 Base-Backbone interact. energy: -0.062 local terms energy: -65.969207 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -85.726678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.726678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.726678 (E_RNA) where: Base-Base interactions energy: -37.741 where: short stacking energy: -33.883 Base-Backbone interact. energy: -0.078 local terms energy: -47.907660 where: bonds (distance) C4'-P energy: -9.757 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -7.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -71.960622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.960622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.960622 (E_RNA) where: Base-Base interactions energy: -24.933 where: short stacking energy: -24.933 Base-Backbone interact. energy: -0.259 local terms energy: -46.769378 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -3.701 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: 4 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -82.102753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.102753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.102753 (E_RNA) where: Base-Base interactions energy: -32.872 where: short stacking energy: -18.402 Base-Backbone interact. energy: -0.288 local terms energy: -48.943057 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -216.117709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.117709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.117709 (E_RNA) where: Base-Base interactions energy: -142.607 where: short stacking energy: -56.771 Base-Backbone interact. energy: -0.002 local terms energy: -73.508804 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -12.053 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -12.028 tors. eta vs tors. theta energy: -19.093 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: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -209.135129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.135129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.135129 (E_RNA) where: Base-Base interactions energy: -138.588 where: short stacking energy: -55.565 Base-Backbone interact. energy: 0.065 local terms energy: -70.612340 where: bonds (distance) C4'-P energy: -14.824 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -16.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -215.624958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.624958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.624958 (E_RNA) where: Base-Base interactions energy: -140.184 where: short stacking energy: -68.228 Base-Backbone interact. energy: -0.008 local terms energy: -75.432996 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: -20.911 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: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -208.661788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.661788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.661788 (E_RNA) where: Base-Base interactions energy: -141.580 where: short stacking energy: -55.053 Base-Backbone interact. energy: -0.105 local terms energy: -66.977364 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -16.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -194.717472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.717472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.717472 (E_RNA) where: Base-Base interactions energy: -130.526 where: short stacking energy: -58.140 Base-Backbone interact. energy: -0.001 local terms energy: -64.189998 where: bonds (distance) C4'-P energy: -8.390 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -212.721580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.721580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.721580 (E_RNA) where: Base-Base interactions energy: -139.868 where: short stacking energy: -52.811 Base-Backbone interact. energy: -0.203 local terms energy: -72.649800 where: bonds (distance) C4'-P energy: -14.695 bonds (distance) P-C4' energy: -15.414 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -13.295 tors. eta vs tors. theta energy: -14.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -198.893114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.893114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.893114 (E_RNA) where: Base-Base interactions energy: -131.875 where: short stacking energy: -51.430 Base-Backbone interact. energy: -0.184 local terms energy: -66.833864 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -14.194 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -17.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -74.031995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.031995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.031995 (E_RNA) where: Base-Base interactions energy: -19.683 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.106 local terms energy: -54.243325 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -15.299 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -0.234 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: 6 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -71.549016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.549016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.549016 (E_RNA) where: Base-Base interactions energy: -23.139 where: short stacking energy: -12.547 Base-Backbone interact. energy: 0.851 local terms energy: -49.260708 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: 1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -74.285762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.285762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.285762 (E_RNA) where: Base-Base interactions energy: -19.994 where: short stacking energy: -19.994 Base-Backbone interact. energy: -0.210 local terms energy: -54.081955 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -7.656 tors. eta vs tors. theta energy: -1.216 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: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -225.194465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.194465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.194465 (E_RNA) where: Base-Base interactions energy: -146.567 where: short stacking energy: -64.320 Base-Backbone interact. energy: -0.118 local terms energy: -78.509697 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -16.005 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -220.317630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.317630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.317630 (E_RNA) where: Base-Base interactions energy: -148.993 where: short stacking energy: -61.416 Base-Backbone interact. energy: -0.019 local terms energy: -71.305019 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -14.666 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -18.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -209.452184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.452184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.452184 (E_RNA) where: Base-Base interactions energy: -132.399 where: short stacking energy: -62.980 Base-Backbone interact. energy: -0.031 local terms energy: -77.021541 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -12.545 tors. eta vs tors. theta energy: -19.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -201.476445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.476445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.476445 (E_RNA) where: Base-Base interactions energy: -136.458 where: short stacking energy: -57.908 Base-Backbone interact. energy: -0.092 local terms energy: -64.926651 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -201.656091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.656091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.656091 (E_RNA) where: Base-Base interactions energy: -134.323 where: short stacking energy: -57.786 Base-Backbone interact. energy: -2.194 local terms energy: -65.138678 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -14.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -194.272416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.272416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.272416 (E_RNA) where: Base-Base interactions energy: -133.131 where: short stacking energy: -57.118 Base-Backbone interact. energy: -0.923 local terms energy: -60.218862 where: bonds (distance) C4'-P energy: -14.211 bonds (distance) P-C4' energy: -11.986 flat angles C4'-P-C4' energy: -11.973 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -14.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -191.122003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.122003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.122003 (E_RNA) where: Base-Base interactions energy: -127.917 where: short stacking energy: -54.671 Base-Backbone interact. energy: -0.358 local terms energy: -62.846671 where: bonds (distance) C4'-P energy: -10.222 bonds (distance) P-C4' energy: -8.872 flat angles C4'-P-C4' energy: -17.106 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -17.632 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: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -84.160303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.160303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.160303 (E_RNA) where: Base-Base interactions energy: -39.881 where: short stacking energy: -38.096 Base-Backbone interact. energy: 3.670 local terms energy: -47.949287 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -77.084478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.084478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.084478 (E_RNA) where: Base-Base interactions energy: -24.957 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.006 local terms energy: -52.121319 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -11.011 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -3.365 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: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -76.832119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.832119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.832119 (E_RNA) where: Base-Base interactions energy: -32.692 where: short stacking energy: -32.692 Base-Backbone interact. energy: -0.042 local terms energy: -44.098198 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -11.561 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -4.722 tors. eta vs tors. theta energy: -3.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -225.471816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.471816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.471816 (E_RNA) where: Base-Base interactions energy: -151.765 where: short stacking energy: -67.998 Base-Backbone interact. energy: -0.007 local terms energy: -73.699054 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -12.948 tors. eta vs tors. theta energy: -17.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -214.719785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.719785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.719785 (E_RNA) where: Base-Base interactions energy: -146.061 where: short stacking energy: -57.967 Base-Backbone interact. energy: -0.772 local terms energy: -67.886883 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -214.463592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.463592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.463592 (E_RNA) where: Base-Base interactions energy: -143.231 where: short stacking energy: -61.768 Base-Backbone interact. energy: -0.002 local terms energy: -71.230639 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: -22.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -205.338501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.338501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.338501 (E_RNA) where: Base-Base interactions energy: -143.592 where: short stacking energy: -63.057 Base-Backbone interact. energy: 0.270 local terms energy: -62.016919 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -12.993 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -17.032 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: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -197.134154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.134154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.134154 (E_RNA) where: Base-Base interactions energy: -127.997 where: short stacking energy: -50.425 Base-Backbone interact. energy: -0.177 local terms energy: -68.960308 where: bonds (distance) C4'-P energy: -14.031 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -197.910732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.910732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.910732 (E_RNA) where: Base-Base interactions energy: -131.316 where: short stacking energy: -55.449 Base-Backbone interact. energy: -0.100 local terms energy: -66.493976 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -19.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -190.913663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.913663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.913663 (E_RNA) where: Base-Base interactions energy: -133.605 where: short stacking energy: -63.610 Base-Backbone interact. energy: -0.002 local terms energy: -57.306499 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -7.863 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -74.163659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.163659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.163659 (E_RNA) where: Base-Base interactions energy: -29.350 where: short stacking energy: -29.350 Base-Backbone interact. energy: -0.009 local terms energy: -44.804534 where: bonds (distance) C4'-P energy: -6.837 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -3.588 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: 6 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -80.173548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.173548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.173548 (E_RNA) where: Base-Base interactions energy: -33.870 where: short stacking energy: -33.870 Base-Backbone interact. energy: -0.015 local terms energy: -46.288877 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -66.269036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.269036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.269036 (E_RNA) where: Base-Base interactions energy: -20.322 where: short stacking energy: -20.322 Base-Backbone interact. energy: -0.054 local terms energy: -45.893004 where: bonds (distance) C4'-P energy: -15.188 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -2.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -220.991503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.991503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.991503 (E_RNA) where: Base-Base interactions energy: -156.755 where: short stacking energy: -50.200 Base-Backbone interact. energy: -0.092 local terms energy: -64.144091 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -219.637189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.637189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.637189 (E_RNA) where: Base-Base interactions energy: -151.759 where: short stacking energy: -59.716 Base-Backbone interact. energy: -0.420 local terms energy: -67.457799 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -11.829 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -17.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -207.000280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.000280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.000280 (E_RNA) where: Base-Base interactions energy: -136.864 where: short stacking energy: -64.749 Base-Backbone interact. energy: -0.914 local terms energy: -69.221873 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -14.735 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -8.108 tors. eta vs tors. theta energy: -19.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -198.896886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.896886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.896886 (E_RNA) where: Base-Base interactions energy: -126.431 where: short stacking energy: -50.033 Base-Backbone interact. energy: -0.021 local terms energy: -72.445353 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -17.176 flat angles P-C4'-P energy: -11.527 tors. eta vs tors. theta energy: -16.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -203.742057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.742057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.742057 (E_RNA) where: Base-Base interactions energy: -133.882 where: short stacking energy: -60.959 Base-Backbone interact. energy: -0.065 local terms energy: -69.794656 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -192.986125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.986125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.986125 (E_RNA) where: Base-Base interactions energy: -126.874 where: short stacking energy: -54.420 Base-Backbone interact. energy: -0.217 local terms energy: -65.894702 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -180.677258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.677258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.677258 (E_RNA) where: Base-Base interactions energy: -126.971 where: short stacking energy: -53.612 Base-Backbone interact. energy: -0.090 local terms energy: -53.616528 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -14.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -74.059350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.059350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.059350 (E_RNA) where: Base-Base interactions energy: -23.006 where: short stacking energy: -23.006 Base-Backbone interact. energy: -0.067 local terms energy: -50.986182 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -15.636 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -9.553 tors. eta vs tors. theta energy: 1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -70.819607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.819607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.819607 (E_RNA) where: Base-Base interactions energy: -25.063 where: short stacking energy: -25.063 Base-Backbone interact. energy: -0.176 local terms energy: -45.580151 where: bonds (distance) C4'-P energy: -12.033 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -8.433 tors. eta vs tors. theta energy: -2.450 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: 6 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -68.412143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.412143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.412143 (E_RNA) where: Base-Base interactions energy: -21.482 where: short stacking energy: -20.719 Base-Backbone interact. energy: 1.092 local terms energy: -48.022277 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -14.353 flat angles P-C4'-P energy: -11.424 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -221.143327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.143327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.143327 (E_RNA) where: Base-Base interactions energy: -149.401 where: short stacking energy: -58.713 Base-Backbone interact. energy: -0.653 local terms energy: -71.089953 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -13.692 flat angles C4'-P-C4' energy: -16.089 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -17.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -216.440931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.440931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.440931 (E_RNA) where: Base-Base interactions energy: -148.524 where: short stacking energy: -53.445 Base-Backbone interact. energy: -0.098 local terms energy: -67.818158 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -12.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -208.079648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.079648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.079648 (E_RNA) where: Base-Base interactions energy: -134.495 where: short stacking energy: -61.509 Base-Backbone interact. energy: 0.913 local terms energy: -74.498041 where: bonds (distance) C4'-P energy: -14.895 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -17.825 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: 1 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -211.628982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.628982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.628982 (E_RNA) where: Base-Base interactions energy: -141.835 where: short stacking energy: -65.098 Base-Backbone interact. energy: -1.327 local terms energy: -68.467142 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -10.457 tors. eta vs tors. theta energy: -21.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -208.615748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.615748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.615748 (E_RNA) where: Base-Base interactions energy: -149.200 where: short stacking energy: -59.711 Base-Backbone interact. energy: -0.091 local terms energy: -59.324498 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -13.362 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -211.698603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.698603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.698603 (E_RNA) where: Base-Base interactions energy: -137.745 where: short stacking energy: -60.084 Base-Backbone interact. energy: -0.099 local terms energy: -73.854452 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -14.072 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -19.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -190.478426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.478426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.478426 (E_RNA) where: Base-Base interactions energy: -128.810 where: short stacking energy: -48.302 Base-Backbone interact. energy: -0.090 local terms energy: -61.579142 where: bonds (distance) C4'-P energy: -8.349 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -12.350 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -14.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -86.009715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.009715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.009715 (E_RNA) where: Base-Base interactions energy: -38.836 where: short stacking energy: -38.836 Base-Backbone interact. energy: -0.114 local terms energy: -47.059501 where: bonds (distance) C4'-P energy: -6.866 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -10.801 flat angles P-C4'-P energy: -9.950 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: 9, replica: 8 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -82.581373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.581373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.581373 (E_RNA) where: Base-Base interactions energy: -25.623 where: short stacking energy: -25.543 Base-Backbone interact. energy: -0.193 local terms energy: -56.764899 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -10.745 tors. eta vs tors. theta energy: -5.126 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: 10, replica: 6 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -71.957462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.957462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.957462 (E_RNA) where: Base-Base interactions energy: -29.729 where: short stacking energy: -23.530 Base-Backbone interact. energy: -0.159 local terms energy: -42.069256 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -11.589 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -234.607457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -234.607457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -234.607457 (E_RNA) where: Base-Base interactions energy: -156.532 where: short stacking energy: -65.709 Base-Backbone interact. energy: -0.028 local terms energy: -78.048087 where: bonds (distance) C4'-P energy: -17.093 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -16.809 flat angles P-C4'-P energy: -11.474 tors. eta vs tors. theta energy: -17.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -220.640955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.640955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.640955 (E_RNA) where: Base-Base interactions energy: -154.863 where: short stacking energy: -51.082 Base-Backbone interact. energy: -0.133 local terms energy: -65.644854 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -14.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -214.150980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.150980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.150980 (E_RNA) where: Base-Base interactions energy: -134.229 where: short stacking energy: -61.515 Base-Backbone interact. energy: 0.945 local terms energy: -80.866996 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -13.945 tors. eta vs tors. theta energy: -21.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -192.754431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.754431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.754431 (E_RNA) where: Base-Base interactions energy: -121.539 where: short stacking energy: -52.245 Base-Backbone interact. energy: -0.125 local terms energy: -71.090916 where: bonds (distance) C4'-P energy: -16.302 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -16.498 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: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -205.896234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.896234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.896234 (E_RNA) where: Base-Base interactions energy: -133.822 where: short stacking energy: -61.777 Base-Backbone interact. energy: -0.085 local terms energy: -71.989680 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -16.787 flat angles C4'-P-C4' energy: -17.065 flat angles P-C4'-P energy: -12.036 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -207.550699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.550699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.550699 (E_RNA) where: Base-Base interactions energy: -143.806 where: short stacking energy: -58.603 Base-Backbone interact. energy: 0.131 local terms energy: -63.875524 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -10.372 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -13.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -187.730155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.730155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.730155 (E_RNA) where: Base-Base interactions energy: -122.714 where: short stacking energy: -52.414 Base-Backbone interact. energy: -0.076 local terms energy: -64.940785 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -17.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -80.607439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.607439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.607439 (E_RNA) where: Base-Base interactions energy: -32.448 where: short stacking energy: -28.237 Base-Backbone interact. energy: -0.187 local terms energy: -47.972209 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -9.845 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -73.165087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.165087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.165087 (E_RNA) where: Base-Base interactions energy: -30.188 where: short stacking energy: -25.504 Base-Backbone interact. energy: 0.359 local terms energy: -43.336384 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -13.565 flat angles P-C4'-P energy: -5.313 tors. eta vs tors. theta energy: 0.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -71.782494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.782494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.782494 (E_RNA) where: Base-Base interactions energy: -28.769 where: short stacking energy: -28.769 Base-Backbone interact. energy: -0.104 local terms energy: -42.909998 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -224.130018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.130018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.130018 (E_RNA) where: Base-Base interactions energy: -148.221 where: short stacking energy: -68.219 Base-Backbone interact. energy: -0.293 local terms energy: -75.615735 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -10.869 tors. eta vs tors. theta energy: -21.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -220.231349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.231349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.231349 (E_RNA) where: Base-Base interactions energy: -144.779 where: short stacking energy: -51.020 Base-Backbone interact. energy: -0.141 local terms energy: -75.310435 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -17.080 flat angles P-C4'-P energy: -13.278 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -206.425569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.425569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.425569 (E_RNA) where: Base-Base interactions energy: -134.259 where: short stacking energy: -48.617 Base-Backbone interact. energy: -0.068 local terms energy: -72.098973 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -12.813 tors. eta vs tors. theta energy: -16.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -205.486969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.486969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.486969 (E_RNA) where: Base-Base interactions energy: -132.976 where: short stacking energy: -63.314 Base-Backbone interact. energy: -0.004 local terms energy: -72.506985 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -18.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -196.157096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.157096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.157096 (E_RNA) where: Base-Base interactions energy: -123.034 where: short stacking energy: -51.600 Base-Backbone interact. energy: -0.225 local terms energy: -72.898183 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -16.531 flat angles P-C4'-P energy: -13.244 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -185.959014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.959014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.959014 (E_RNA) where: Base-Base interactions energy: -123.108 where: short stacking energy: -61.505 Base-Backbone interact. energy: -0.001 local terms energy: -62.850908 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -16.784 flat angles P-C4'-P energy: -6.897 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: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -188.967147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.967147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.967147 (E_RNA) where: Base-Base interactions energy: -124.925 where: short stacking energy: -54.167 Base-Backbone interact. energy: -0.095 local terms energy: -63.947278 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -11.811 tors. eta vs tors. theta energy: -15.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -78.189512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.189512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.189512 (E_RNA) where: Base-Base interactions energy: -28.809 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.286 local terms energy: -49.093834 where: bonds (distance) C4'-P energy: -14.786 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -69.894810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.894810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.894810 (E_RNA) where: Base-Base interactions energy: -24.302 where: short stacking energy: -21.405 Base-Backbone interact. energy: 0.233 local terms energy: -45.825771 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -1.476 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: 6 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -72.060612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.060612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.060612 (E_RNA) where: Base-Base interactions energy: -28.174 where: short stacking energy: -25.802 Base-Backbone interact. energy: -0.074 local terms energy: -43.812641 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -1.261 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: 5 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -219.298460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.298460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.298460 (E_RNA) where: Base-Base interactions energy: -156.437 where: short stacking energy: -54.360 Base-Backbone interact. energy: -0.806 local terms energy: -62.055547 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -11.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -210.785205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.785205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.785205 (E_RNA) where: Base-Base interactions energy: -140.296 where: short stacking energy: -65.100 Base-Backbone interact. energy: -0.085 local terms energy: -70.404343 where: bonds (distance) C4'-P energy: -14.153 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -17.795 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: 3 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -208.693213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.693213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.693213 (E_RNA) where: Base-Base interactions energy: -131.312 where: short stacking energy: -61.999 Base-Backbone interact. energy: -1.782 local terms energy: -75.599462 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -11.263 tors. eta vs tors. theta energy: -19.087 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: 318 Temperature: 1.050000 Total energy: -215.403956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.403956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.403956 (E_RNA) where: Base-Base interactions energy: -146.122 where: short stacking energy: -65.111 Base-Backbone interact. energy: -1.991 local terms energy: -67.291061 where: bonds (distance) C4'-P energy: -14.058 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -20.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -205.551639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.551639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.551639 (E_RNA) where: Base-Base interactions energy: -133.579 where: short stacking energy: -53.868 Base-Backbone interact. energy: -0.001 local terms energy: -71.972007 where: bonds (distance) C4'-P energy: -10.870 bonds (distance) P-C4' energy: -11.301 flat angles C4'-P-C4' energy: -16.799 flat angles P-C4'-P energy: -14.124 tors. eta vs tors. theta energy: -18.878 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: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -206.938459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.938459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.938459 (E_RNA) where: Base-Base interactions energy: -135.443 where: short stacking energy: -64.866 Base-Backbone interact. energy: -0.014 local terms energy: -71.482073 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -15.546 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -10.781 tors. eta vs tors. theta energy: -19.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -195.071789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.071789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.071789 (E_RNA) where: Base-Base interactions energy: -124.768 where: short stacking energy: -60.303 Base-Backbone interact. energy: -0.004 local terms energy: -70.299535 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -14.148 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -12.314 tors. eta vs tors. theta energy: -16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -93.837383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.837383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.837383 (E_RNA) where: Base-Base interactions energy: -35.991 where: short stacking energy: -35.991 Base-Backbone interact. energy: -0.827 local terms energy: -57.019439 where: bonds (distance) C4'-P energy: -11.446 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -12.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -77.377429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.377429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.377429 (E_RNA) where: Base-Base interactions energy: -30.028 where: short stacking energy: -28.238 Base-Backbone interact. energy: -0.091 local terms energy: -47.259202 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -13.404 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -82.609590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.609590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.609590 (E_RNA) where: Base-Base interactions energy: -32.868 where: short stacking energy: -32.746 Base-Backbone interact. energy: -0.158 local terms energy: -49.583498 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -12.919 flat angles C4'-P-C4' energy: -13.788 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -214.705856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.705856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.705856 (E_RNA) where: Base-Base interactions energy: -139.458 where: short stacking energy: -60.618 Base-Backbone interact. energy: -0.025 local terms energy: -75.222641 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -18.722 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -20.655 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: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -219.095503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.095503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.095503 (E_RNA) where: Base-Base interactions energy: -141.805 where: short stacking energy: -61.274 Base-Backbone interact. energy: -0.734 local terms energy: -76.555822 where: bonds (distance) C4'-P energy: -15.264 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -19.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -211.407908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.407908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.407908 (E_RNA) where: Base-Base interactions energy: -139.838 where: short stacking energy: -60.159 Base-Backbone interact. energy: -0.645 local terms energy: -70.924923 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -18.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -208.798997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.798997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.798997 (E_RNA) where: Base-Base interactions energy: -131.025 where: short stacking energy: -65.246 Base-Backbone interact. energy: -0.324 local terms energy: -77.450390 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -12.918 tors. eta vs tors. theta energy: -20.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -199.109676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.109676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.109676 (E_RNA) where: Base-Base interactions energy: -125.473 where: short stacking energy: -57.869 Base-Backbone interact. energy: -0.413 local terms energy: -73.223330 where: bonds (distance) C4'-P energy: -15.342 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -12.765 tors. eta vs tors. theta energy: -17.028 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: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -204.642024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.642024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.642024 (E_RNA) where: Base-Base interactions energy: -136.093 where: short stacking energy: -63.292 Base-Backbone interact. energy: -0.900 local terms energy: -67.649282 where: bonds (distance) C4'-P energy: -9.661 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -15.775 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: -17.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -197.366204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.366204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.366204 (E_RNA) where: Base-Base interactions energy: -134.407 where: short stacking energy: -63.354 Base-Backbone interact. energy: -0.003 local terms energy: -62.956035 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -13.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -71.172013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.172013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.172013 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -12.553 Base-Backbone interact. energy: 0.789 local terms energy: -54.809079 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -11.230 tors. eta vs tors. theta energy: 0.105 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: 8 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -85.381488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.381488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.381488 (E_RNA) where: Base-Base interactions energy: -35.558 where: short stacking energy: -25.945 Base-Backbone interact. energy: 0.117 local terms energy: -49.940577 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -7.616 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -82.182480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.182480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.182480 (E_RNA) where: Base-Base interactions energy: -32.690 where: short stacking energy: -31.908 Base-Backbone interact. energy: -0.204 local terms energy: -49.288836 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -14.111 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -221.571969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.571969 (E_RNA) where: Base-Base interactions energy: -146.284 where: short stacking energy: -59.387 Base-Backbone interact. energy: -0.100 local terms energy: -75.187187 where: bonds (distance) C4'-P energy: -15.264 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -17.301 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -17.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -208.159809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.159809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.159809 (E_RNA) where: Base-Base interactions energy: -139.545 where: short stacking energy: -62.109 Base-Backbone interact. energy: -0.022 local terms energy: -68.593266 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -17.768 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: 2 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -208.226501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.226501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.226501 (E_RNA) where: Base-Base interactions energy: -140.669 where: short stacking energy: -61.254 Base-Backbone interact. energy: 1.947 local terms energy: -69.505152 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -15.173 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -15.209 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: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -210.243895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.243895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.243895 (E_RNA) where: Base-Base interactions energy: -147.194 where: short stacking energy: -60.930 Base-Backbone interact. energy: -0.240 local terms energy: -62.810103 where: bonds (distance) C4'-P energy: -15.760 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -2.612 tors. eta vs tors. theta energy: -15.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -206.144038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.144038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.144038 (E_RNA) where: Base-Base interactions energy: -137.787 where: short stacking energy: -53.548 Base-Backbone interact. energy: -0.066 local terms energy: -68.290784 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -12.846 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -18.070 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: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -194.142403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.142403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.142403 (E_RNA) where: Base-Base interactions energy: -123.751 where: short stacking energy: -53.986 Base-Backbone interact. energy: -1.906 local terms energy: -68.485173 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -9.056 tors. eta vs tors. theta energy: -16.875 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: 10 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -188.078550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.078550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.078550 (E_RNA) where: Base-Base interactions energy: -121.121 where: short stacking energy: -54.369 Base-Backbone interact. energy: -0.125 local terms energy: -66.832376 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -13.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -80.792710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.792710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.792710 (E_RNA) where: Base-Base interactions energy: -32.357 where: short stacking energy: -21.356 Base-Backbone interact. energy: 0.361 local terms energy: -48.797448 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: 0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -83.926585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.926585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.926585 (E_RNA) where: Base-Base interactions energy: -30.190 where: short stacking energy: -25.772 Base-Backbone interact. energy: -0.583 local terms energy: -53.153063 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -8.345 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -6.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -67.646250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.646250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.646250 (E_RNA) where: Base-Base interactions energy: -17.605 where: short stacking energy: -17.605 Base-Backbone interact. energy: -0.321 local terms energy: -49.720112 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -10.466 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -0.164 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: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -224.430126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.430126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.430126 (E_RNA) where: Base-Base interactions energy: -159.789 where: short stacking energy: -59.030 Base-Backbone interact. energy: -0.293 local terms energy: -64.347926 where: bonds (distance) C4'-P energy: -8.829 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -17.570 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: 2, replica: 2 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -219.550778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.550778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.550778 (E_RNA) where: Base-Base interactions energy: -144.903 where: short stacking energy: -72.176 Base-Backbone interact. energy: -0.382 local terms energy: -74.265446 where: bonds (distance) C4'-P energy: -12.485 bonds (distance) P-C4' energy: -14.011 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -22.079 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: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -206.924181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.924181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.924181 (E_RNA) where: Base-Base interactions energy: -141.931 where: short stacking energy: -63.915 Base-Backbone interact. energy: -0.056 local terms energy: -64.937990 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -11.976 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.337 tors. eta vs tors. theta energy: -17.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -208.773982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.773982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.773982 (E_RNA) where: Base-Base interactions energy: -134.369 where: short stacking energy: -63.634 Base-Backbone interact. energy: -0.001 local terms energy: -74.404613 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -19.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -187.406172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.406172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.406172 (E_RNA) where: Base-Base interactions energy: -124.739 where: short stacking energy: -50.659 Base-Backbone interact. energy: -0.158 local terms energy: -62.508810 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -11.359 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -15.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -203.872972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.872972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.872972 (E_RNA) where: Base-Base interactions energy: -136.275 where: short stacking energy: -60.961 Base-Backbone interact. energy: -0.259 local terms energy: -67.338845 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -18.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -195.243785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.243785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.243785 (E_RNA) where: Base-Base interactions energy: -128.513 where: short stacking energy: -57.500 Base-Backbone interact. energy: -0.086 local terms energy: -66.644839 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -10.932 flat angles P-C4'-P energy: -10.274 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: 8, replica: 4 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -86.626418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.626418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.626418 (E_RNA) where: Base-Base interactions energy: -28.462 where: short stacking energy: -25.059 Base-Backbone interact. energy: -0.226 local terms energy: -57.938465 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -8.436 tors. eta vs tors. theta energy: -6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -81.549955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.549955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.549955 (E_RNA) where: Base-Base interactions energy: -31.240 where: short stacking energy: -31.240 Base-Backbone interact. energy: -0.104 local terms energy: -50.206113 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -7.785 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -8.377 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: 8 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -67.050060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.050060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.050060 (E_RNA) where: Base-Base interactions energy: -16.793 where: short stacking energy: -16.793 Base-Backbone interact. energy: 0.267 local terms energy: -50.523445 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -16.573 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: 2.091 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: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -229.407177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.407177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.407177 (E_RNA) where: Base-Base interactions energy: -151.325 where: short stacking energy: -74.132 Base-Backbone interact. energy: -1.033 local terms energy: -77.049156 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -13.141 tors. eta vs tors. theta energy: -21.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -216.464881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.464881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.464881 (E_RNA) where: Base-Base interactions energy: -144.547 where: short stacking energy: -50.930 Base-Backbone interact. energy: -0.223 local terms energy: -71.695022 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -17.975 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -13.314 tors. eta vs tors. theta energy: -13.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -213.259412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.259412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.259412 (E_RNA) where: Base-Base interactions energy: -137.345 where: short stacking energy: -67.089 Base-Backbone interact. energy: -0.000 local terms energy: -75.913845 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -16.789 flat angles P-C4'-P energy: -7.785 tors. eta vs tors. theta energy: -20.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -210.157966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.157966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.157966 (E_RNA) where: Base-Base interactions energy: -136.531 where: short stacking energy: -64.250 Base-Backbone interact. energy: -0.006 local terms energy: -73.621072 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -18.718 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: 9 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -204.274639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.274639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.274639 (E_RNA) where: Base-Base interactions energy: -130.887 where: short stacking energy: -61.130 Base-Backbone interact. energy: -2.598 local terms energy: -70.789913 where: bonds (distance) C4'-P energy: -12.742 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -15.922 flat angles P-C4'-P energy: -9.647 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: 6, replica: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -202.004856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.004856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.004856 (E_RNA) where: Base-Base interactions energy: -134.303 where: short stacking energy: -61.469 Base-Backbone interact. energy: -0.156 local terms energy: -67.545582 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -11.515 flat angles P-C4'-P energy: -13.650 tors. eta vs tors. theta energy: -19.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -200.440663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.440663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.440663 (E_RNA) where: Base-Base interactions energy: -132.469 where: short stacking energy: -43.356 Base-Backbone interact. energy: -0.508 local terms energy: -67.464006 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -11.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -72.871265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.871265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.871265 (E_RNA) where: Base-Base interactions energy: -33.559 where: short stacking energy: -17.296 Base-Backbone interact. energy: 0.708 local terms energy: -40.020595 where: bonds (distance) C4'-P energy: -12.080 bonds (distance) P-C4' energy: -9.766 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -11.974 tors. eta vs tors. theta energy: 1.644 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: 8 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -78.237535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.237535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.237535 (E_RNA) where: Base-Base interactions energy: -36.330 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.252 local terms energy: -41.655241 where: bonds (distance) C4'-P energy: -7.615 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -0.938 tors. eta vs tors. theta energy: -1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -68.809922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.809922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.809922 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -14.672 Base-Backbone interact. energy: -1.590 local terms energy: -44.184901 where: bonds (distance) C4'-P energy: -12.145 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: 0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -217.898021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.898021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.898021 (E_RNA) where: Base-Base interactions energy: -147.834 where: short stacking energy: -69.402 Base-Backbone interact. energy: -0.001 local terms energy: -70.062458 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -10.245 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: 2, replica: 5 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -224.202374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.202374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.202374 (E_RNA) where: Base-Base interactions energy: -146.283 where: short stacking energy: -68.229 Base-Backbone interact. energy: -1.076 local terms energy: -76.843469 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -16.460 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -20.114 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: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -214.359098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.359098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.359098 (E_RNA) where: Base-Base interactions energy: -147.664 where: short stacking energy: -47.930 Base-Backbone interact. energy: -0.808 local terms energy: -65.886657 where: bonds (distance) C4'-P energy: -11.376 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -17.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -212.274255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.274255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.274255 (E_RNA) where: Base-Base interactions energy: -138.647 where: short stacking energy: -62.724 Base-Backbone interact. energy: -0.126 local terms energy: -73.500772 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -17.078 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -19.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -203.915487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.915487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.915487 (E_RNA) where: Base-Base interactions energy: -132.088 where: short stacking energy: -57.791 Base-Backbone interact. energy: -0.007 local terms energy: -71.821016 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -14.580 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -17.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -197.256281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.256281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.256281 (E_RNA) where: Base-Base interactions energy: -142.094 where: short stacking energy: -51.538 Base-Backbone interact. energy: -0.067 local terms energy: -55.095712 where: bonds (distance) C4'-P energy: -7.779 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -184.870134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.870134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.870134 (E_RNA) where: Base-Base interactions energy: -119.800 where: short stacking energy: -55.912 Base-Backbone interact. energy: -0.014 local terms energy: -65.056140 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -18.070 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -78.685760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.685760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.685760 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.444 local terms energy: -47.395340 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -14.555 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -1.074 tors. eta vs tors. theta energy: -6.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -82.455823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.455823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.455823 (E_RNA) where: Base-Base interactions energy: -33.661 where: short stacking energy: -21.719 Base-Backbone interact. energy: -0.550 local terms energy: -48.244560 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -5.065 tors. eta vs tors. theta energy: -4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -75.705596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.705596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.705596 (E_RNA) where: Base-Base interactions energy: -27.392 where: short stacking energy: -27.392 Base-Backbone interact. energy: -0.132 local terms energy: -48.181666 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -8.196 tors. eta vs tors. theta energy: -7.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -214.426131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.426131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.426131 (E_RNA) where: Base-Base interactions energy: -146.845 where: short stacking energy: -66.124 Base-Backbone interact. energy: -0.012 local terms energy: -67.569397 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -7.937 tors. eta vs tors. theta energy: -17.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -216.615780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.615780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.615780 (E_RNA) where: Base-Base interactions energy: -139.416 where: short stacking energy: -62.806 Base-Backbone interact. energy: 0.021 local terms energy: -77.220931 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -12.790 tors. eta vs tors. theta energy: -19.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -211.843550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.843550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.843550 (E_RNA) where: Base-Base interactions energy: -140.460 where: short stacking energy: -71.127 Base-Backbone interact. energy: -0.632 local terms energy: -70.751416 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -20.582 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: 7 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -211.597810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.597810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.597810 (E_RNA) where: Base-Base interactions energy: -146.656 where: short stacking energy: -50.615 Base-Backbone interact. energy: -0.077 local terms energy: -64.864815 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -12.916 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -192.892577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.892577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.892577 (E_RNA) where: Base-Base interactions energy: -133.742 where: short stacking energy: -54.495 Base-Backbone interact. energy: -0.078 local terms energy: -59.072252 where: bonds (distance) C4'-P energy: -13.636 bonds (distance) P-C4' energy: -13.640 flat angles C4'-P-C4' energy: -10.114 flat angles P-C4'-P energy: -5.930 tors. eta vs tors. theta energy: -15.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -195.819394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.819394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.819394 (E_RNA) where: Base-Base interactions energy: -132.557 where: short stacking energy: -61.911 Base-Backbone interact. energy: -0.461 local terms energy: -62.800813 where: bonds (distance) C4'-P energy: -8.764 bonds (distance) P-C4' energy: -11.795 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -21.537 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: 324 Temperature: 1.200000 Total energy: -192.593478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.593478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.593478 (E_RNA) where: Base-Base interactions energy: -128.770 where: short stacking energy: -49.261 Base-Backbone interact. energy: -0.015 local terms energy: -63.808299 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -15.066 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -12.797 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: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -79.388565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.388565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.388565 (E_RNA) where: Base-Base interactions energy: -27.615 where: short stacking energy: -27.615 Base-Backbone interact. energy: -0.075 local terms energy: -51.698353 where: bonds (distance) C4'-P energy: -12.887 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -5.463 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: 6 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -80.726021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.726021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.726021 (E_RNA) where: Base-Base interactions energy: -36.416 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.727 local terms energy: -43.583772 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -8.995 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -2.797 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: 8 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -65.525728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.525728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.525728 (E_RNA) where: Base-Base interactions energy: -18.445 where: short stacking energy: -18.445 Base-Backbone interact. energy: -0.094 local terms energy: -46.987287 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -9.092 tors. eta vs tors. theta energy: 0.746 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: 5 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -214.070259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.070259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.070259 (E_RNA) where: Base-Base interactions energy: -143.230 where: short stacking energy: -66.991 Base-Backbone interact. energy: -1.089 local terms energy: -69.750864 where: bonds (distance) C4'-P energy: -9.456 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -16.633 flat angles P-C4'-P energy: -11.037 tors. eta vs tors. theta energy: -22.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -224.654299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.654299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.654299 (E_RNA) where: Base-Base interactions energy: -146.639 where: short stacking energy: -65.042 Base-Backbone interact. energy: -1.461 local terms energy: -76.554336 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -19.849 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: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -208.622431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.622431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.622431 (E_RNA) where: Base-Base interactions energy: -136.552 where: short stacking energy: -64.476 Base-Backbone interact. energy: -0.497 local terms energy: -71.573321 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -16.759 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -20.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -200.758311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.758311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.758311 (E_RNA) where: Base-Base interactions energy: -136.565 where: short stacking energy: -52.399 Base-Backbone interact. energy: -2.428 local terms energy: -61.764886 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -14.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -207.948926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.948926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.948926 (E_RNA) where: Base-Base interactions energy: -130.289 where: short stacking energy: -62.649 Base-Backbone interact. energy: -0.002 local terms energy: -77.657921 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -11.320 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: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -206.645410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.645410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.645410 (E_RNA) where: Base-Base interactions energy: -136.902 where: short stacking energy: -55.488 Base-Backbone interact. energy: -0.057 local terms energy: -69.686224 where: bonds (distance) C4'-P energy: -9.094 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -17.657 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -14.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -191.911400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.911400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.911400 (E_RNA) where: Base-Base interactions energy: -128.233 where: short stacking energy: -52.649 Base-Backbone interact. energy: -0.078 local terms energy: -63.599480 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -9.896 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -17.964 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: 8, replica: 6 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -94.705101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.705101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.705101 (E_RNA) where: Base-Base interactions energy: -54.503 where: short stacking energy: -28.680 Base-Backbone interact. energy: -0.313 local terms energy: -39.889226 where: bonds (distance) C4'-P energy: -8.806 bonds (distance) P-C4' energy: -12.766 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -7.440 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: 9, replica: 4 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -75.124238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.124238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.124238 (E_RNA) where: Base-Base interactions energy: -30.704 where: short stacking energy: -19.654 Base-Backbone interact. energy: -0.487 local terms energy: -43.933712 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -12.372 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: 1.304 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: 8 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -75.540777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.540777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.540777 (E_RNA) where: Base-Base interactions energy: -23.041 where: short stacking energy: -19.455 Base-Backbone interact. energy: -0.965 local terms energy: -51.535367 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -212.728200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.728200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.728200 (E_RNA) where: Base-Base interactions energy: -137.817 where: short stacking energy: -66.107 Base-Backbone interact. energy: 0.266 local terms energy: -75.177472 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -23.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -210.925482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.925482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.925482 (E_RNA) where: Base-Base interactions energy: -138.750 where: short stacking energy: -64.434 Base-Backbone interact. energy: -1.833 local terms energy: -70.342477 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -15.750 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -19.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -211.486335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.486335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.486335 (E_RNA) where: Base-Base interactions energy: -147.504 where: short stacking energy: -60.632 Base-Backbone interact. energy: 0.062 local terms energy: -64.044211 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -10.613 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -213.883645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.883645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.883645 (E_RNA) where: Base-Base interactions energy: -135.013 where: short stacking energy: -61.852 Base-Backbone interact. energy: -0.002 local terms energy: -78.868512 where: bonds (distance) C4'-P energy: -17.052 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -12.829 tors. eta vs tors. theta energy: -21.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -211.982589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.982589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.982589 (E_RNA) where: Base-Base interactions energy: -142.393 where: short stacking energy: -63.627 Base-Backbone interact. energy: -0.084 local terms energy: -69.505546 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -17.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -196.541921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.541921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.541921 (E_RNA) where: Base-Base interactions energy: -131.077 where: short stacking energy: -51.219 Base-Backbone interact. energy: -0.076 local terms energy: -65.388947 where: bonds (distance) C4'-P energy: -12.235 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.725 flat angles P-C4'-P energy: -9.096 tors. eta vs tors. theta energy: -14.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -194.180208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.180208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.180208 (E_RNA) where: Base-Base interactions energy: -125.953 where: short stacking energy: -55.718 Base-Backbone interact. energy: -0.161 local terms energy: -68.066074 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -16.351 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -8.607 tors. eta vs tors. theta energy: -16.486 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: 326 Temperature: 1.250000 Total energy: -83.504047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.504047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.504047 (E_RNA) where: Base-Base interactions energy: -31.011 where: short stacking energy: -28.476 Base-Backbone interact. energy: -0.400 local terms energy: -52.092799 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -9.921 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: 9, replica: 4 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -96.525539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.525539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.525539 (E_RNA) where: Base-Base interactions energy: -54.752 where: short stacking energy: -25.126 Base-Backbone interact. energy: -0.126 local terms energy: -41.647960 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -2.884 tors. eta vs tors. theta energy: 1.492 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: 8 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -80.299948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.299948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.299948 (E_RNA) where: Base-Base interactions energy: -33.092 where: short stacking energy: -25.042 Base-Backbone interact. energy: -0.100 local terms energy: -47.107570 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -220.939218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.939218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.939218 (E_RNA) where: Base-Base interactions energy: -137.507 where: short stacking energy: -66.122 Base-Backbone interact. energy: -2.267 local terms energy: -81.165376 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -17.262 flat angles P-C4'-P energy: -12.040 tors. eta vs tors. theta energy: -21.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -214.097308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.097308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.097308 (E_RNA) where: Base-Base interactions energy: -141.026 where: short stacking energy: -68.902 Base-Backbone interact. energy: -2.852 local terms energy: -70.220010 where: bonds (distance) C4'-P energy: -16.692 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -9.651 flat angles P-C4'-P energy: -6.835 tors. eta vs tors. theta energy: -21.675 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: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -217.308314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.308314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.308314 (E_RNA) where: Base-Base interactions energy: -140.677 where: short stacking energy: -61.346 Base-Backbone interact. energy: -0.022 local terms energy: -76.609543 where: bonds (distance) C4'-P energy: -13.486 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -17.331 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -17.327 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: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -206.366246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.366246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.366246 (E_RNA) where: Base-Base interactions energy: -133.489 where: short stacking energy: -65.529 Base-Backbone interact. energy: -0.014 local terms energy: -72.863097 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -17.630 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -200.127212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.127212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.127212 (E_RNA) where: Base-Base interactions energy: -136.373 where: short stacking energy: -58.849 Base-Backbone interact. energy: -0.162 local terms energy: -63.592533 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -7.615 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -17.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -195.643136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.643136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.643136 (E_RNA) where: Base-Base interactions energy: -124.381 where: short stacking energy: -50.605 Base-Backbone interact. energy: -0.000 local terms energy: -71.261819 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -10.365 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -186.229826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.229826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.229826 (E_RNA) where: Base-Base interactions energy: -118.124 where: short stacking energy: -49.875 Base-Backbone interact. energy: -0.100 local terms energy: -68.006500 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -17.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -81.894052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.894052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.894052 (E_RNA) where: Base-Base interactions energy: -43.977 where: short stacking energy: -32.207 Base-Backbone interact. energy: -0.036 local terms energy: -37.881126 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -2.773 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -74.269293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.269293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.269293 (E_RNA) where: Base-Base interactions energy: -23.962 where: short stacking energy: -18.735 Base-Backbone interact. energy: -0.166 local terms energy: -50.141775 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -12.460 flat angles C4'-P-C4' energy: -12.784 flat angles P-C4'-P energy: -10.783 tors. eta vs tors. theta energy: 0.100 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: 8 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -77.134674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.134674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.134674 (E_RNA) where: Base-Base interactions energy: -28.581 where: short stacking energy: -27.774 Base-Backbone interact. energy: 0.110 local terms energy: -48.663861 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -9.272 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -6.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -215.221067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.221067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.221067 (E_RNA) where: Base-Base interactions energy: -141.645 where: short stacking energy: -69.901 Base-Backbone interact. energy: -2.016 local terms energy: -71.560143 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -20.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -219.226691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.226691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.226691 (E_RNA) where: Base-Base interactions energy: -146.392 where: short stacking energy: -70.095 Base-Backbone interact. energy: -0.033 local terms energy: -72.801739 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -9.501 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: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -215.348236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.348236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.348236 (E_RNA) where: Base-Base interactions energy: -143.566 where: short stacking energy: -49.937 Base-Backbone interact. energy: -0.235 local terms energy: -71.546639 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -17.573 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -12.012 tors. eta vs tors. theta energy: -15.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -213.860472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.860472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.860472 (E_RNA) where: Base-Base interactions energy: -142.313 where: short stacking energy: -60.983 Base-Backbone interact. energy: -0.408 local terms energy: -71.139291 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -17.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -204.484121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.484121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.484121 (E_RNA) where: Base-Base interactions energy: -133.572 where: short stacking energy: -60.660 Base-Backbone interact. energy: -0.028 local terms energy: -70.884620 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -16.773 flat angles C4'-P-C4' energy: -16.228 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -16.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -193.284504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.284504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.284504 (E_RNA) where: Base-Base interactions energy: -122.174 where: short stacking energy: -56.071 Base-Backbone interact. energy: -0.001 local terms energy: -71.108966 where: bonds (distance) C4'-P energy: -11.937 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -13.074 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -190.633811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.633811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.633811 (E_RNA) where: Base-Base interactions energy: -125.435 where: short stacking energy: -54.903 Base-Backbone interact. energy: -0.075 local terms energy: -65.123766 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -9.676 tors. eta vs tors. theta energy: -15.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -81.780802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.780802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.780802 (E_RNA) where: Base-Base interactions energy: -27.386 where: short stacking energy: -26.523 Base-Backbone interact. energy: -0.016 local terms energy: -54.378661 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -16.093 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -74.272740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.272740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.272740 (E_RNA) where: Base-Base interactions energy: -24.682 where: short stacking energy: -24.049 Base-Backbone interact. energy: -0.033 local terms energy: -49.557538 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -4.387 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: 6 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -76.929480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.929480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.929480 (E_RNA) where: Base-Base interactions energy: -33.326 where: short stacking energy: -33.326 Base-Backbone interact. energy: 1.695 local terms energy: -45.297765 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -9.900 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -6.275 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: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -212.454830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.454830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.454830 (E_RNA) where: Base-Base interactions energy: -140.657 where: short stacking energy: -60.472 Base-Backbone interact. energy: -0.304 local terms energy: -71.493706 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -216.328014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.328014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.328014 (E_RNA) where: Base-Base interactions energy: -139.500 where: short stacking energy: -64.869 Base-Backbone interact. energy: -1.982 local terms energy: -74.845988 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -14.401 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -21.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -210.504460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.504460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.504460 (E_RNA) where: Base-Base interactions energy: -143.389 where: short stacking energy: -54.886 Base-Backbone interact. energy: -0.278 local terms energy: -66.837745 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -13.202 flat angles P-C4'-P energy: -11.848 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -218.984247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.984247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.984247 (E_RNA) where: Base-Base interactions energy: -147.911 where: short stacking energy: -59.718 Base-Backbone interact. energy: -0.882 local terms energy: -70.191936 where: bonds (distance) C4'-P energy: -11.781 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -20.861 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: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -197.488561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.488561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.488561 (E_RNA) where: Base-Base interactions energy: -136.463 where: short stacking energy: -62.749 Base-Backbone interact. energy: -2.509 local terms energy: -58.516363 where: bonds (distance) C4'-P energy: -9.571 bonds (distance) P-C4' energy: -7.881 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -21.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -199.035093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.035093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.035093 (E_RNA) where: Base-Base interactions energy: -128.518 where: short stacking energy: -59.439 Base-Backbone interact. energy: -0.590 local terms energy: -69.927762 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -10.854 tors. eta vs tors. theta energy: -18.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -191.547111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.547111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.547111 (E_RNA) where: Base-Base interactions energy: -122.755 where: short stacking energy: -57.275 Base-Backbone interact. energy: -0.001 local terms energy: -68.791313 where: bonds (distance) C4'-P energy: -17.130 bonds (distance) P-C4' energy: -9.443 flat angles C4'-P-C4' energy: -14.167 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -19.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -74.621727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.621727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.621727 (E_RNA) where: Base-Base interactions energy: -28.119 where: short stacking energy: -28.119 Base-Backbone interact. energy: 0.170 local terms energy: -46.673064 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -11.091 flat angles C4'-P-C4' energy: -9.074 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -8.237 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: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -79.145838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.145838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.145838 (E_RNA) where: Base-Base interactions energy: -27.571 where: short stacking energy: -22.294 Base-Backbone interact. energy: -0.452 local terms energy: -51.122824 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -3.943 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: 10, replica: 6 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -78.539720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.539720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.539720 (E_RNA) where: Base-Base interactions energy: -29.356 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.076 local terms energy: -49.106957 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -10.545 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -5.950 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: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -216.576650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.576650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.576650 (E_RNA) where: Base-Base interactions energy: -141.687 where: short stacking energy: -67.527 Base-Backbone interact. energy: -0.000 local terms energy: -74.889277 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -13.426 tors. eta vs tors. theta energy: -20.344 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: 2, replica: 10 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -219.753669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.753669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.753669 (E_RNA) where: Base-Base interactions energy: -148.453 where: short stacking energy: -68.100 Base-Backbone interact. energy: -0.006 local terms energy: -71.295504 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -14.087 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -10.280 tors. eta vs tors. theta energy: -19.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -221.717189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.717189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.717189 (E_RNA) where: Base-Base interactions energy: -144.574 where: short stacking energy: -65.478 Base-Backbone interact. energy: -0.370 local terms energy: -76.773609 where: bonds (distance) C4'-P energy: -14.882 bonds (distance) P-C4' energy: -14.509 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -202.719643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.719643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.719643 (E_RNA) where: Base-Base interactions energy: -134.575 where: short stacking energy: -63.199 Base-Backbone interact. energy: -0.092 local terms energy: -68.052689 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -19.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -210.379530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.379530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.379530 (E_RNA) where: Base-Base interactions energy: -145.128 where: short stacking energy: -53.019 Base-Backbone interact. energy: -0.235 local terms energy: -65.016222 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -11.825 tors. eta vs tors. theta energy: -13.601 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: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -195.708742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.708742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.708742 (E_RNA) where: Base-Base interactions energy: -130.696 where: short stacking energy: -62.131 Base-Backbone interact. energy: -0.208 local terms energy: -64.804792 where: bonds (distance) C4'-P energy: -6.776 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -15.169 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -22.039 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: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -195.025240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.025240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.025240 (E_RNA) where: Base-Base interactions energy: -131.780 where: short stacking energy: -53.291 Base-Backbone interact. energy: -0.049 local terms energy: -63.196557 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -10.105 tors. eta vs tors. theta energy: -16.004 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: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -81.048598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.048598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.048598 (E_RNA) where: Base-Base interactions energy: -31.670 where: short stacking energy: -30.688 Base-Backbone interact. energy: -0.314 local terms energy: -49.064918 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -9.935 flat angles C4'-P-C4' energy: -10.612 flat angles P-C4'-P energy: -11.876 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -91.317352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.317352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.317352 (E_RNA) where: Base-Base interactions energy: -40.869 where: short stacking energy: -23.807 Base-Backbone interact. energy: 1.617 local terms energy: -52.065294 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -13.716 flat angles C4'-P-C4' energy: -13.069 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -70.997663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.997663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.997663 (E_RNA) where: Base-Base interactions energy: -24.822 where: short stacking energy: -12.885 Base-Backbone interact. energy: 0.224 local terms energy: -46.399806 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: 1.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -218.790631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.790631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.790631 (E_RNA) where: Base-Base interactions energy: -141.232 where: short stacking energy: -62.887 Base-Backbone interact. energy: -2.416 local terms energy: -75.142626 where: bonds (distance) C4'-P energy: -16.094 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -15.348 flat angles P-C4'-P energy: -8.812 tors. eta vs tors. theta energy: -21.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -221.694038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.694038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.694038 (E_RNA) where: Base-Base interactions energy: -148.158 where: short stacking energy: -63.432 Base-Backbone interact. energy: -0.141 local terms energy: -73.394822 where: bonds (distance) C4'-P energy: -14.489 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -15.466 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -19.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -225.802027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.802027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.802027 (E_RNA) where: Base-Base interactions energy: -151.516 where: short stacking energy: -65.661 Base-Backbone interact. energy: -2.076 local terms energy: -72.210257 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -16.099 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -19.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -205.792168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.792168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.792168 (E_RNA) where: Base-Base interactions energy: -135.694 where: short stacking energy: -61.950 Base-Backbone interact. energy: -0.002 local terms energy: -70.096416 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -11.067 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -205.842996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.842996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.842996 (E_RNA) where: Base-Base interactions energy: -135.672 where: short stacking energy: -61.845 Base-Backbone interact. energy: -0.277 local terms energy: -69.893709 where: bonds (distance) C4'-P energy: -16.546 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -15.833 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -17.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -167.534191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.534191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.534191 (E_RNA) where: Base-Base interactions energy: -113.164 where: short stacking energy: -47.501 Base-Backbone interact. energy: 0.615 local terms energy: -54.985663 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -10.603 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -11.388 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: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -189.911957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.911957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.911957 (E_RNA) where: Base-Base interactions energy: -120.816 where: short stacking energy: -50.732 Base-Backbone interact. energy: -0.115 local terms energy: -68.980366 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -17.021 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: 8 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -83.611732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.611732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.611732 (E_RNA) where: Base-Base interactions energy: -27.416 where: short stacking energy: -25.147 Base-Backbone interact. energy: -0.266 local terms energy: -55.929139 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -13.403 flat angles P-C4'-P energy: -10.784 tors. eta vs tors. theta energy: -4.776 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: 6 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -82.882716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.882716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.882716 (E_RNA) where: Base-Base interactions energy: -27.000 where: short stacking energy: -26.924 Base-Backbone interact. energy: -0.035 local terms energy: -55.847235 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -84.236159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.236159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.236159 (E_RNA) where: Base-Base interactions energy: -44.310 where: short stacking energy: -34.583 Base-Backbone interact. energy: -0.166 local terms energy: -39.760877 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -10.328 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -223.139641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.139641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.139641 (E_RNA) where: Base-Base interactions energy: -150.177 where: short stacking energy: -63.764 Base-Backbone interact. energy: -0.223 local terms energy: -72.739068 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -11.686 tors. eta vs tors. theta energy: -16.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -219.708465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.708465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.708465 (E_RNA) where: Base-Base interactions energy: -146.823 where: short stacking energy: -56.378 Base-Backbone interact. energy: -0.006 local terms energy: -72.879522 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -211.163587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.163587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.163587 (E_RNA) where: Base-Base interactions energy: -141.551 where: short stacking energy: -62.518 Base-Backbone interact. energy: -2.487 local terms energy: -67.125802 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -16.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -208.275870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.275870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.275870 (E_RNA) where: Base-Base interactions energy: -136.800 where: short stacking energy: -61.092 Base-Backbone interact. energy: -0.306 local terms energy: -71.169566 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -15.599 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -18.032 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: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -194.707245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.707245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.707245 (E_RNA) where: Base-Base interactions energy: -131.093 where: short stacking energy: -50.136 Base-Backbone interact. energy: -0.124 local terms energy: -63.490039 where: bonds (distance) C4'-P energy: -15.531 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -14.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -197.129077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.129077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.129077 (E_RNA) where: Base-Base interactions energy: -131.507 where: short stacking energy: -54.622 Base-Backbone interact. energy: 0.753 local terms energy: -66.375161 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -18.682 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -197.668449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.668449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.668449 (E_RNA) where: Base-Base interactions energy: -131.157 where: short stacking energy: -52.974 Base-Backbone interact. energy: -0.708 local terms energy: -65.802920 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -15.869 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -15.986 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: 8 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -89.642234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.642234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.642234 (E_RNA) where: Base-Base interactions energy: -34.560 where: short stacking energy: -30.931 Base-Backbone interact. energy: -0.049 local terms energy: -55.033679 where: bonds (distance) C4'-P energy: -11.716 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -6.935 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: 4 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -112.635063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.635063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.635063 (E_RNA) where: Base-Base interactions energy: -54.231 where: short stacking energy: -29.330 Base-Backbone interact. energy: -0.125 local terms energy: -58.279396 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -5.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -74.408058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.408058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.408058 (E_RNA) where: Base-Base interactions energy: -27.890 where: short stacking energy: -26.341 Base-Backbone interact. energy: -0.228 local terms energy: -46.290255 where: bonds (distance) C4'-P energy: -10.423 bonds (distance) P-C4' energy: -10.795 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -218.386536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.386536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.386536 (E_RNA) where: Base-Base interactions energy: -145.930 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.378 local terms energy: -72.078775 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -220.296233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.296233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.296233 (E_RNA) where: Base-Base interactions energy: -149.380 where: short stacking energy: -62.208 Base-Backbone interact. energy: -0.018 local terms energy: -70.898224 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -15.382 flat angles P-C4'-P energy: -11.430 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -213.539361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.539361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.539361 (E_RNA) where: Base-Base interactions energy: -138.100 where: short stacking energy: -63.013 Base-Backbone interact. energy: -0.720 local terms energy: -74.719526 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -12.847 flat angles C4'-P-C4' energy: -14.672 flat angles P-C4'-P energy: -13.544 tors. eta vs tors. theta energy: -19.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -203.256463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.256463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.256463 (E_RNA) where: Base-Base interactions energy: -129.990 where: short stacking energy: -56.425 Base-Backbone interact. energy: -0.412 local terms energy: -72.853905 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -12.230 flat angles C4'-P-C4' energy: -16.370 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -18.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -194.095172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.095172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.095172 (E_RNA) where: Base-Base interactions energy: -136.193 where: short stacking energy: -60.086 Base-Backbone interact. energy: -0.025 local terms energy: -57.877635 where: bonds (distance) C4'-P energy: -10.941 bonds (distance) P-C4' energy: -10.421 flat angles C4'-P-C4' energy: -10.095 flat angles P-C4'-P energy: -11.054 tors. eta vs tors. theta energy: -15.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -188.275454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.275454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.275454 (E_RNA) where: Base-Base interactions energy: -125.804 where: short stacking energy: -56.124 Base-Backbone interact. energy: -0.209 local terms energy: -62.262344 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -13.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -188.167055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.167055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.167055 (E_RNA) where: Base-Base interactions energy: -124.208 where: short stacking energy: -52.153 Base-Backbone interact. energy: 0.248 local terms energy: -64.207371 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -15.392 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: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -80.127769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.127769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.127769 (E_RNA) where: Base-Base interactions energy: -35.568 where: short stacking energy: -32.183 Base-Backbone interact. energy: -0.474 local terms energy: -44.085804 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -8.881 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: 8 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -87.006186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.006186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.006186 (E_RNA) where: Base-Base interactions energy: -36.583 where: short stacking energy: -19.644 Base-Backbone interact. energy: -0.067 local terms energy: -50.356478 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -5.178 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: 6 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -77.951795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.951795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.951795 (E_RNA) where: Base-Base interactions energy: -26.700 where: short stacking energy: -26.700 Base-Backbone interact. energy: -0.405 local terms energy: -50.847565 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -11.555 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -216.714269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.714269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.714269 (E_RNA) where: Base-Base interactions energy: -146.811 where: short stacking energy: -72.933 Base-Backbone interact. energy: -0.049 local terms energy: -69.853629 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -20.296 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: 3 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -217.095847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.095847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.095847 (E_RNA) where: Base-Base interactions energy: -152.404 where: short stacking energy: -55.628 Base-Backbone interact. energy: -0.553 local terms energy: -64.138721 where: bonds (distance) C4'-P energy: -10.341 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -8.425 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -205.398143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.398143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.398143 (E_RNA) where: Base-Base interactions energy: -141.332 where: short stacking energy: -55.048 Base-Backbone interact. energy: 0.537 local terms energy: -64.603253 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -8.483 tors. eta vs tors. theta energy: -11.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -199.005520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.005520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.005520 (E_RNA) where: Base-Base interactions energy: -127.991 where: short stacking energy: -55.179 Base-Backbone interact. energy: -0.002 local terms energy: -71.012769 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -17.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -202.382860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.382860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.382860 (E_RNA) where: Base-Base interactions energy: -135.149 where: short stacking energy: -57.081 Base-Backbone interact. energy: -1.103 local terms energy: -66.130949 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -11.692 flat angles C4'-P-C4' energy: -13.731 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -16.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -204.487724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.487724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.487724 (E_RNA) where: Base-Base interactions energy: -137.387 where: short stacking energy: -53.476 Base-Backbone interact. energy: -0.088 local terms energy: -67.012204 where: bonds (distance) C4'-P energy: -9.000 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -17.383 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -14.533 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: 7 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -180.111534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.111534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.111534 (E_RNA) where: Base-Base interactions energy: -123.380 where: short stacking energy: -54.625 Base-Backbone interact. energy: -0.008 local terms energy: -56.722687 where: bonds (distance) C4'-P energy: -9.604 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -10.503 tors. eta vs tors. theta energy: -13.560 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: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -85.485356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.485356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.485356 (E_RNA) where: Base-Base interactions energy: -31.964 where: short stacking energy: -29.136 Base-Backbone interact. energy: -1.065 local terms energy: -52.456810 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -11.757 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -80.792182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.792182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.792182 (E_RNA) where: Base-Base interactions energy: -31.968 where: short stacking energy: -32.012 Base-Backbone interact. energy: -0.037 local terms energy: -48.787245 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -9.827 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -71.753539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.753539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.753539 (E_RNA) where: Base-Base interactions energy: -20.960 where: short stacking energy: -20.960 Base-Backbone interact. energy: -0.128 local terms energy: -50.666181 where: bonds (distance) C4'-P energy: -10.862 bonds (distance) P-C4' energy: -12.468 flat angles C4'-P-C4' energy: -14.676 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -220.029552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.029552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.029552 (E_RNA) where: Base-Base interactions energy: -142.216 where: short stacking energy: -62.796 Base-Backbone interact. energy: -0.131 local terms energy: -77.682159 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -11.693 tors. eta vs tors. theta energy: -19.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -215.146466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.146466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.146466 (E_RNA) where: Base-Base interactions energy: -137.308 where: short stacking energy: -65.650 Base-Backbone interact. energy: 1.066 local terms energy: -78.904776 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -11.934 tors. eta vs tors. theta energy: -21.826 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: 3, replica: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -210.458794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.458794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.458794 (E_RNA) where: Base-Base interactions energy: -135.418 where: short stacking energy: -64.200 Base-Backbone interact. energy: -0.061 local terms energy: -74.979278 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -13.869 tors. eta vs tors. theta energy: -19.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -208.267059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.267059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.267059 (E_RNA) where: Base-Base interactions energy: -135.677 where: short stacking energy: -51.873 Base-Backbone interact. energy: -0.317 local terms energy: -72.273623 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -202.986259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.986259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.986259 (E_RNA) where: Base-Base interactions energy: -129.019 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.001 local terms energy: -73.966307 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -9.720 tors. eta vs tors. theta energy: -18.288 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: 7 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -193.526226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.526226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.526226 (E_RNA) where: Base-Base interactions energy: -135.729 where: short stacking energy: -55.900 Base-Backbone interact. energy: -0.045 local terms energy: -57.752709 where: bonds (distance) C4'-P energy: -9.400 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -11.361 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -191.168442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.168442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.168442 (E_RNA) where: Base-Base interactions energy: -128.594 where: short stacking energy: -54.434 Base-Backbone interact. energy: -0.204 local terms energy: -62.370754 where: bonds (distance) C4'-P energy: -10.212 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -10.807 flat angles P-C4'-P energy: -11.413 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -88.496737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.496737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.496737 (E_RNA) where: Base-Base interactions energy: -33.379 where: short stacking energy: -25.749 Base-Backbone interact. energy: -0.061 local terms energy: -55.057262 where: bonds (distance) C4'-P energy: -13.598 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -5.786 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: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -78.074958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.074958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.074958 (E_RNA) where: Base-Base interactions energy: -32.733 where: short stacking energy: -31.262 Base-Backbone interact. energy: 0.217 local terms energy: -45.559745 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -14.658 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -79.298598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.298598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.298598 (E_RNA) where: Base-Base interactions energy: -44.154 where: short stacking energy: -30.610 Base-Backbone interact. energy: -0.139 local terms energy: -35.005410 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -224.478274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.478274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.478274 (E_RNA) where: Base-Base interactions energy: -148.011 where: short stacking energy: -66.938 Base-Backbone interact. energy: -0.014 local terms energy: -76.453742 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -17.454 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -220.218145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.218145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.218145 (E_RNA) where: Base-Base interactions energy: -148.372 where: short stacking energy: -61.574 Base-Backbone interact. energy: -0.008 local terms energy: -71.838251 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -16.704 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -17.400 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: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -218.518848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.518848 (E_RNA) where: Base-Base interactions energy: -150.267 where: short stacking energy: -68.341 Base-Backbone interact. energy: -0.014 local terms energy: -68.237891 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -18.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -204.856454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.856454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.856454 (E_RNA) where: Base-Base interactions energy: -137.046 where: short stacking energy: -64.705 Base-Backbone interact. energy: -0.349 local terms energy: -67.461009 where: bonds (distance) C4'-P energy: -8.567 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -14.288 flat angles P-C4'-P energy: -11.422 tors. eta vs tors. theta energy: -20.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -201.975993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.975993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.975993 (E_RNA) where: Base-Base interactions energy: -135.815 where: short stacking energy: -49.235 Base-Backbone interact. energy: -0.880 local terms energy: -65.281207 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -13.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -192.104879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.104879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.104879 (E_RNA) where: Base-Base interactions energy: -128.918 where: short stacking energy: -49.074 Base-Backbone interact. energy: -0.065 local terms energy: -63.121719 where: bonds (distance) C4'-P energy: -9.459 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -14.091 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: 1 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -203.219902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.219902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.219902 (E_RNA) where: Base-Base interactions energy: -132.902 where: short stacking energy: -58.578 Base-Backbone interact. energy: -0.015 local terms energy: -70.302276 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -10.192 tors. eta vs tors. theta energy: -16.398 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: 6 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -102.372625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.372625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.372625 (E_RNA) where: Base-Base interactions energy: -55.885 where: short stacking energy: -32.691 Base-Backbone interact. energy: -0.106 local terms energy: -46.381775 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -10.271 flat angles P-C4'-P energy: -8.845 tors. eta vs tors. theta energy: -2.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -74.546486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.546486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.546486 (E_RNA) where: Base-Base interactions energy: -25.057 where: short stacking energy: -23.917 Base-Backbone interact. energy: -0.182 local terms energy: -49.307959 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -11.816 flat angles C4'-P-C4' energy: -9.527 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -8.910 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: 4 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -72.437566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.437566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.437566 (E_RNA) where: Base-Base interactions energy: -22.818 where: short stacking energy: -22.818 Base-Backbone interact. energy: -0.221 local terms energy: -49.398366 where: bonds (distance) C4'-P energy: -8.739 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -225.555440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.555440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.555440 (E_RNA) where: Base-Base interactions energy: -150.048 where: short stacking energy: -68.156 Base-Backbone interact. energy: -0.001 local terms energy: -75.506639 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -17.459 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -19.234 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: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -214.020627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.020627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.020627 (E_RNA) where: Base-Base interactions energy: -143.660 where: short stacking energy: -67.769 Base-Backbone interact. energy: -0.718 local terms energy: -69.642301 where: bonds (distance) C4'-P energy: -15.360 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -11.116 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -18.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -214.905554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.905554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.905554 (E_RNA) where: Base-Base interactions energy: -142.763 where: short stacking energy: -58.524 Base-Backbone interact. energy: -0.174 local terms energy: -71.968980 where: bonds (distance) C4'-P energy: -15.225 bonds (distance) P-C4' energy: -16.333 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -10.587 tors. eta vs tors. theta energy: -15.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -211.145191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.145191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.145191 (E_RNA) where: Base-Base interactions energy: -135.483 where: short stacking energy: -67.898 Base-Backbone interact. energy: -2.571 local terms energy: -73.091159 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -12.702 tors. eta vs tors. theta energy: -19.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -203.751042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.751042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.751042 (E_RNA) where: Base-Base interactions energy: -140.331 where: short stacking energy: -52.227 Base-Backbone interact. energy: -0.252 local terms energy: -63.167526 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -10.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -200.541384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.541384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.541384 (E_RNA) where: Base-Base interactions energy: -136.118 where: short stacking energy: -59.661 Base-Backbone interact. energy: -0.005 local terms energy: -64.418182 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -13.562 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -197.131079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.131079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.131079 (E_RNA) where: Base-Base interactions energy: -137.748 where: short stacking energy: -56.844 Base-Backbone interact. energy: -0.322 local terms energy: -59.060809 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -3.512 flat angles C4'-P-C4' energy: -15.229 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -78.129516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.129516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.129516 (E_RNA) where: Base-Base interactions energy: -27.038 where: short stacking energy: -27.038 Base-Backbone interact. energy: 0.342 local terms energy: -51.433690 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: 0.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -78.896409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.896409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.896409 (E_RNA) where: Base-Base interactions energy: -21.580 where: short stacking energy: -20.776 Base-Backbone interact. energy: -0.079 local terms energy: -57.237501 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -7.909 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: 4 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -78.310976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.310976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.310976 (E_RNA) where: Base-Base interactions energy: -28.539 where: short stacking energy: -22.878 Base-Backbone interact. energy: -0.511 local terms energy: -49.261236 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -14.142 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: 1.066 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: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -231.113637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.113637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.113637 (E_RNA) where: Base-Base interactions energy: -159.287 where: short stacking energy: -63.600 Base-Backbone interact. energy: -0.005 local terms energy: -71.821679 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -14.538 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -12.769 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -221.323612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.323612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.323612 (E_RNA) where: Base-Base interactions energy: -152.601 where: short stacking energy: -59.085 Base-Backbone interact. energy: -0.005 local terms energy: -68.717359 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -9.109 tors. eta vs tors. theta energy: -19.142 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: 5 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -209.270937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.270937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.270937 (E_RNA) where: Base-Base interactions energy: -141.691 where: short stacking energy: -60.815 Base-Backbone interact. energy: -0.648 local terms energy: -66.931523 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -12.286 tors. eta vs tors. theta energy: -17.851 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: 9 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -203.104140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.104140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.104140 (E_RNA) where: Base-Base interactions energy: -131.935 where: short stacking energy: -64.624 Base-Backbone interact. energy: -0.003 local terms energy: -71.166554 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -16.610 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -18.609 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: 5, replica: 1 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -202.320177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.320177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.320177 (E_RNA) where: Base-Base interactions energy: -127.161 where: short stacking energy: -60.494 Base-Backbone interact. energy: 0.025 local terms energy: -75.183908 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -12.084 tors. eta vs tors. theta energy: -16.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -195.143203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.143203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.143203 (E_RNA) where: Base-Base interactions energy: -139.627 where: short stacking energy: -48.992 Base-Backbone interact. energy: -0.166 local terms energy: -55.349526 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -11.845 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: 10 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -192.918716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.918716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.918716 (E_RNA) where: Base-Base interactions energy: -128.506 where: short stacking energy: -56.540 Base-Backbone interact. energy: -0.108 local terms energy: -64.304839 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -11.807 tors. eta vs tors. theta energy: -15.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -79.205031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.205031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.205031 (E_RNA) where: Base-Base interactions energy: -26.877 where: short stacking energy: -26.877 Base-Backbone interact. energy: -0.020 local terms energy: -52.308423 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -75.039623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.039623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.039623 (E_RNA) where: Base-Base interactions energy: -26.531 where: short stacking energy: -25.406 Base-Backbone interact. energy: 1.978 local terms energy: -50.486483 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -10.169 flat angles C4'-P-C4' energy: -10.073 flat angles P-C4'-P energy: -11.781 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -74.362036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.362036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.362036 (E_RNA) where: Base-Base interactions energy: -29.226 where: short stacking energy: -14.251 Base-Backbone interact. energy: -0.082 local terms energy: -45.053830 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -8.542 flat angles C4'-P-C4' energy: -9.964 flat angles P-C4'-P energy: -11.320 tors. eta vs tors. theta energy: -3.388 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: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -228.312063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.312063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.312063 (E_RNA) where: Base-Base interactions energy: -147.348 where: short stacking energy: -62.691 Base-Backbone interact. energy: -0.415 local terms energy: -80.548757 where: bonds (distance) C4'-P energy: -15.937 bonds (distance) P-C4' energy: -15.489 flat angles C4'-P-C4' energy: -17.403 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -18.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -204.717899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.717899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.717899 (E_RNA) where: Base-Base interactions energy: -133.865 where: short stacking energy: -58.902 Base-Backbone interact. energy: -0.561 local terms energy: -70.291864 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -11.440 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -214.142463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.142463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.142463 (E_RNA) where: Base-Base interactions energy: -144.995 where: short stacking energy: -69.126 Base-Backbone interact. energy: -0.003 local terms energy: -69.143774 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -18.983 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: 4, replica: 1 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -204.723451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.723451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.723451 (E_RNA) where: Base-Base interactions energy: -137.955 where: short stacking energy: -53.502 Base-Backbone interact. energy: 0.972 local terms energy: -67.740379 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -15.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -201.244474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.244474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.244474 (E_RNA) where: Base-Base interactions energy: -129.932 where: short stacking energy: -57.875 Base-Backbone interact. energy: -0.009 local terms energy: -71.303707 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -10.925 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -10.158 tors. eta vs tors. theta energy: -18.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -193.828092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.828092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.828092 (E_RNA) where: Base-Base interactions energy: -130.026 where: short stacking energy: -59.900 Base-Backbone interact. energy: -0.022 local terms energy: -63.780677 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -17.765 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: 7, replica: 7 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -189.383274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.383274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.383274 (E_RNA) where: Base-Base interactions energy: -129.061 where: short stacking energy: -54.706 Base-Backbone interact. energy: -0.030 local terms energy: -60.292996 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -5.819 tors. eta vs tors. theta energy: -18.435 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: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -81.611287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.611287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.611287 (E_RNA) where: Base-Base interactions energy: -31.227 where: short stacking energy: -22.515 Base-Backbone interact. energy: -0.151 local terms energy: -50.233134 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -16.174 flat angles C4'-P-C4' energy: -11.327 flat angles P-C4'-P energy: -8.245 tors. eta vs tors. theta energy: 0.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -75.474408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.474408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.474408 (E_RNA) where: Base-Base interactions energy: -23.771 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.452 local terms energy: -51.251738 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -8.308 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -69.697988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.697988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.697988 (E_RNA) where: Base-Base interactions energy: -28.745 where: short stacking energy: -25.789 Base-Backbone interact. energy: -0.117 local terms energy: -40.836343 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -10.612 flat angles P-C4'-P energy: -2.337 tors. eta vs tors. theta energy: -0.001 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: 5 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -215.139190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.139190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.139190 (E_RNA) where: Base-Base interactions energy: -138.629 where: short stacking energy: -63.005 Base-Backbone interact. energy: -0.054 local terms energy: -76.455942 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -17.731 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -219.750742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.750742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.750742 (E_RNA) where: Base-Base interactions energy: -141.732 where: short stacking energy: -68.983 Base-Backbone interact. energy: -1.269 local terms energy: -76.749318 where: bonds (distance) C4'-P energy: -16.526 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -22.845 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: 3 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -217.844231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.844231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.844231 (E_RNA) where: Base-Base interactions energy: -142.723 where: short stacking energy: -63.813 Base-Backbone interact. energy: -0.636 local terms energy: -74.484742 where: bonds (distance) C4'-P energy: -16.446 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -10.227 tors. eta vs tors. theta energy: -17.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -202.444272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.444272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.444272 (E_RNA) where: Base-Base interactions energy: -130.019 where: short stacking energy: -48.848 Base-Backbone interact. energy: 0.052 local terms energy: -72.477011 where: bonds (distance) C4'-P energy: -14.864 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -17.093 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -13.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -205.286363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.286363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.286363 (E_RNA) where: Base-Base interactions energy: -134.995 where: short stacking energy: -59.933 Base-Backbone interact. energy: -0.040 local terms energy: -70.250745 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -16.023 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -17.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -203.322382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.322382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.322382 (E_RNA) where: Base-Base interactions energy: -142.175 where: short stacking energy: -46.544 Base-Backbone interact. energy: -0.045 local terms energy: -61.103218 where: bonds (distance) C4'-P energy: -11.946 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -13.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -189.346276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.346276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.346276 (E_RNA) where: Base-Base interactions energy: -128.119 where: short stacking energy: -49.695 Base-Backbone interact. energy: -0.396 local terms energy: -60.830684 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -11.218 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -16.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -75.513424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.513424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.513424 (E_RNA) where: Base-Base interactions energy: -27.083 where: short stacking energy: -27.083 Base-Backbone interact. energy: -0.275 local terms energy: -48.155309 where: bonds (distance) C4'-P energy: -11.529 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -7.663 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: 9, replica: 4 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -86.250890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.250890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.250890 (E_RNA) where: Base-Base interactions energy: -30.575 where: short stacking energy: -28.606 Base-Backbone interact. energy: -0.202 local terms energy: -55.474564 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -73.466098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.466098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.466098 (E_RNA) where: Base-Base interactions energy: -29.023 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.059 local terms energy: -44.383311 where: bonds (distance) C4'-P energy: -10.646 bonds (distance) P-C4' energy: -11.830 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -5.581 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: 5 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -215.784984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.784984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.784984 (E_RNA) where: Base-Base interactions energy: -144.572 where: short stacking energy: -64.423 Base-Backbone interact. energy: -0.018 local terms energy: -71.194941 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -12.284 flat angles C4'-P-C4' energy: -13.412 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -21.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -219.050361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.050361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.050361 (E_RNA) where: Base-Base interactions energy: -146.131 where: short stacking energy: -67.469 Base-Backbone interact. energy: -0.004 local terms energy: -72.915919 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -17.786 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -20.253 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: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -214.290128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.290128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.290128 (E_RNA) where: Base-Base interactions energy: -141.580 where: short stacking energy: -67.699 Base-Backbone interact. energy: 2.043 local terms energy: -74.753338 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -13.313 tors. eta vs tors. theta energy: -18.063 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: 1 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -196.271113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.271113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.271113 (E_RNA) where: Base-Base interactions energy: -129.244 where: short stacking energy: -60.542 Base-Backbone interact. energy: -0.069 local terms energy: -66.957459 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -14.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -209.222999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.222999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.222999 (E_RNA) where: Base-Base interactions energy: -131.445 where: short stacking energy: -62.050 Base-Backbone interact. energy: -0.123 local terms energy: -77.655335 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -18.243 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -11.781 tors. eta vs tors. theta energy: -18.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -200.524336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.524336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.524336 (E_RNA) where: Base-Base interactions energy: -126.586 where: short stacking energy: -64.528 Base-Backbone interact. energy: -0.537 local terms energy: -73.401440 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -12.064 tors. eta vs tors. theta energy: -20.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -190.770928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.770928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.770928 (E_RNA) where: Base-Base interactions energy: -127.404 where: short stacking energy: -59.743 Base-Backbone interact. energy: -0.067 local terms energy: -63.300051 where: bonds (distance) C4'-P energy: -14.305 bonds (distance) P-C4' energy: -10.931 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -4.244 tors. eta vs tors. theta energy: -19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -82.742874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.742874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.742874 (E_RNA) where: Base-Base interactions energy: -31.185 where: short stacking energy: -28.731 Base-Backbone interact. energy: 0.666 local terms energy: -52.223414 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -8.074 tors. eta vs tors. theta energy: -7.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -76.077069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.077069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.077069 (E_RNA) where: Base-Base interactions energy: -28.202 where: short stacking energy: -28.202 Base-Backbone interact. energy: -0.290 local terms energy: -47.584762 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: 0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -72.574699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.574699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.574699 (E_RNA) where: Base-Base interactions energy: -23.667 where: short stacking energy: -23.667 Base-Backbone interact. energy: -0.447 local terms energy: -48.460992 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -216.463500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.463500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.463500 (E_RNA) where: Base-Base interactions energy: -135.943 where: short stacking energy: -62.840 Base-Backbone interact. energy: -0.578 local terms energy: -79.942357 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -12.316 tors. eta vs tors. theta energy: -20.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -218.736014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.736014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.736014 (E_RNA) where: Base-Base interactions energy: -152.834 where: short stacking energy: -60.247 Base-Backbone interact. energy: -0.160 local terms energy: -65.742776 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -14.013 flat angles C4'-P-C4' energy: -15.964 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -10.882 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: 1 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -207.960974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.960974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.960974 (E_RNA) where: Base-Base interactions energy: -132.975 where: short stacking energy: -54.132 Base-Backbone interact. energy: -0.595 local terms energy: -74.391399 where: bonds (distance) C4'-P energy: -13.706 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -213.636292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.636292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.636292 (E_RNA) where: Base-Base interactions energy: -141.785 where: short stacking energy: -56.239 Base-Backbone interact. energy: -0.004 local terms energy: -71.848056 where: bonds (distance) C4'-P energy: -15.333 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -17.715 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: 5, replica: 10 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -206.043499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.043499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.043499 (E_RNA) where: Base-Base interactions energy: -137.286 where: short stacking energy: -56.035 Base-Backbone interact. energy: -1.109 local terms energy: -67.648462 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -204.386268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.386268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.386268 (E_RNA) where: Base-Base interactions energy: -137.700 where: short stacking energy: -61.743 Base-Backbone interact. energy: -0.433 local terms energy: -66.253053 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -10.194 tors. eta vs tors. theta energy: -18.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -189.098090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.098090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.098090 (E_RNA) where: Base-Base interactions energy: -131.512 where: short stacking energy: -56.843 Base-Backbone interact. energy: -0.064 local terms energy: -57.521705 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -12.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -85.383082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.383082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.383082 (E_RNA) where: Base-Base interactions energy: -38.469 where: short stacking energy: -22.046 Base-Backbone interact. energy: 0.375 local terms energy: -47.289301 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -13.769 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -2.234 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: 6 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -76.482534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.482534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.482534 (E_RNA) where: Base-Base interactions energy: -28.919 where: short stacking energy: -28.919 Base-Backbone interact. energy: -0.117 local terms energy: -47.446700 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -0.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -67.234673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.234673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.234673 (E_RNA) where: Base-Base interactions energy: -23.871 where: short stacking energy: -23.128 Base-Backbone interact. energy: -0.252 local terms energy: -43.112231 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -13.196 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: 0.646 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: 3 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -217.035831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.035831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.035831 (E_RNA) where: Base-Base interactions energy: -140.215 where: short stacking energy: -64.033 Base-Backbone interact. energy: -0.100 local terms energy: -76.720992 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -14.919 flat angles C4'-P-C4' energy: -16.117 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -219.748069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.748069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.748069 (E_RNA) where: Base-Base interactions energy: -149.484 where: short stacking energy: -52.311 Base-Backbone interact. energy: -0.125 local terms energy: -70.139078 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -16.413 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -14.045 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: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -205.720652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.720652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.720652 (E_RNA) where: Base-Base interactions energy: -131.479 where: short stacking energy: -49.074 Base-Backbone interact. energy: -0.040 local terms energy: -74.202178 where: bonds (distance) C4'-P energy: -15.474 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -12.931 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -19.168 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: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -214.984676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.984676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.984676 (E_RNA) where: Base-Base interactions energy: -137.667 where: short stacking energy: -62.991 Base-Backbone interact. energy: -0.611 local terms energy: -76.706394 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -21.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -207.740820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.740820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.740820 (E_RNA) where: Base-Base interactions energy: -141.899 where: short stacking energy: -55.621 Base-Backbone interact. energy: -0.475 local terms energy: -65.367402 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -13.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -193.935116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.935116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.935116 (E_RNA) where: Base-Base interactions energy: -125.396 where: short stacking energy: -55.814 Base-Backbone interact. energy: -0.247 local terms energy: -68.291490 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -15.410 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: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -184.897391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.897391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.897391 (E_RNA) where: Base-Base interactions energy: -121.223 where: short stacking energy: -49.466 Base-Backbone interact. energy: -0.052 local terms energy: -63.622636 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -7.093 tors. eta vs tors. theta energy: -17.499 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: 8, replica: 6 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -89.124579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.124579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.124579 (E_RNA) where: Base-Base interactions energy: -35.451 where: short stacking energy: -19.613 Base-Backbone interact. energy: -0.099 local terms energy: -53.573818 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -13.207 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -4.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -76.904991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.904991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.904991 (E_RNA) where: Base-Base interactions energy: -24.477 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.085 local terms energy: -52.343263 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -13.528 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -12.402 tors. eta vs tors. theta energy: 0.927 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: 10, replica: 8 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -74.316259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.316259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.316259 (E_RNA) where: Base-Base interactions energy: -29.981 where: short stacking energy: -25.364 Base-Backbone interact. energy: 1.422 local terms energy: -45.757727 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -1.465 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: 1, replica: 5 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -217.044910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.044910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.044910 (E_RNA) where: Base-Base interactions energy: -150.208 where: short stacking energy: -57.720 Base-Backbone interact. energy: -0.122 local terms energy: -66.714962 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -11.554 tors. eta vs tors. theta energy: -13.344 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: 2, replica: 3 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -219.477534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.477534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.477534 (E_RNA) where: Base-Base interactions energy: -146.874 where: short stacking energy: -69.874 Base-Backbone interact. energy: -0.046 local terms energy: -72.557662 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -12.345 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -18.946 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: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -210.688080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.688080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.688080 (E_RNA) where: Base-Base interactions energy: -140.150 where: short stacking energy: -60.920 Base-Backbone interact. energy: -0.001 local terms energy: -70.536796 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -12.894 tors. eta vs tors. theta energy: -15.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -203.963619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.963619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.963619 (E_RNA) where: Base-Base interactions energy: -131.633 where: short stacking energy: -62.143 Base-Backbone interact. energy: -0.101 local terms energy: -72.229779 where: bonds (distance) C4'-P energy: -14.024 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -12.376 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -199.201917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.201917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.201917 (E_RNA) where: Base-Base interactions energy: -138.113 where: short stacking energy: -63.278 Base-Backbone interact. energy: -0.091 local terms energy: -60.997908 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -193.260734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.260734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.260734 (E_RNA) where: Base-Base interactions energy: -132.079 where: short stacking energy: -56.322 Base-Backbone interact. energy: -0.409 local terms energy: -60.772749 where: bonds (distance) C4'-P energy: -9.723 bonds (distance) P-C4' energy: -9.639 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -19.158 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: 7 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -187.051736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.051736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.051736 (E_RNA) where: Base-Base interactions energy: -118.461 where: short stacking energy: -50.496 Base-Backbone interact. energy: -0.252 local terms energy: -68.338706 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -14.116 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -17.371 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: 6 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -77.982230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.982230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.982230 (E_RNA) where: Base-Base interactions energy: -25.215 where: short stacking energy: -21.049 Base-Backbone interact. energy: -0.692 local terms energy: -52.075442 where: bonds (distance) C4'-P energy: -9.339 bonds (distance) P-C4' energy: -14.576 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -70.886076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.886076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.886076 (E_RNA) where: Base-Base interactions energy: -25.486 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.367 local terms energy: -45.032295 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -17.531 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: 1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -68.955087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.955087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.955087 (E_RNA) where: Base-Base interactions energy: -35.976 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.494 local terms energy: -32.485063 where: bonds (distance) C4'-P energy: -9.869 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -2.344 flat angles P-C4'-P energy: -4.843 tors. eta vs tors. theta energy: 0.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -218.306277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.306277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.306277 (E_RNA) where: Base-Base interactions energy: -155.641 where: short stacking energy: -57.235 Base-Backbone interact. energy: -0.379 local terms energy: -62.285810 where: bonds (distance) C4'-P energy: -4.817 bonds (distance) P-C4' energy: -16.223 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -11.910 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -215.287385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.287385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.287385 (E_RNA) where: Base-Base interactions energy: -141.405 where: short stacking energy: -67.695 Base-Backbone interact. energy: -0.649 local terms energy: -73.233870 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -23.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -211.719142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.719142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.719142 (E_RNA) where: Base-Base interactions energy: -135.445 where: short stacking energy: -67.678 Base-Backbone interact. energy: -2.619 local terms energy: -73.655384 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -12.408 tors. eta vs tors. theta energy: -21.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -209.067014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.067014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.067014 (E_RNA) where: Base-Base interactions energy: -135.340 where: short stacking energy: -63.418 Base-Backbone interact. energy: -0.419 local terms energy: -73.307957 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -11.980 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -201.930138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.930138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.930138 (E_RNA) where: Base-Base interactions energy: -143.545 where: short stacking energy: -54.555 Base-Backbone interact. energy: -0.023 local terms energy: -58.362372 where: bonds (distance) C4'-P energy: -12.415 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -13.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -201.255486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.255486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.255486 (E_RNA) where: Base-Base interactions energy: -146.799 where: short stacking energy: -49.314 Base-Backbone interact. energy: -0.183 local terms energy: -54.272744 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -10.189 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -194.068191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.068191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.068191 (E_RNA) where: Base-Base interactions energy: -129.748 where: short stacking energy: -52.371 Base-Backbone interact. energy: -0.057 local terms energy: -64.263821 where: bonds (distance) C4'-P energy: -9.558 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -14.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -75.798582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.798582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.798582 (E_RNA) where: Base-Base interactions energy: -25.381 where: short stacking energy: -21.528 Base-Backbone interact. energy: -0.031 local terms energy: -50.386693 where: bonds (distance) C4'-P energy: -12.650 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -6.622 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: 6 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -72.526122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.526122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.526122 (E_RNA) where: Base-Base interactions energy: -27.378 where: short stacking energy: -17.964 Base-Backbone interact. energy: -0.218 local terms energy: -44.929445 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -7.231 tors. eta vs tors. theta energy: -1.889 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: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -72.111479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.111479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.111479 (E_RNA) where: Base-Base interactions energy: -30.286 where: short stacking energy: -26.927 Base-Backbone interact. energy: -0.265 local terms energy: -41.560183 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -9.552 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -228.399736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.399736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.399736 (E_RNA) where: Base-Base interactions energy: -152.517 where: short stacking energy: -68.832 Base-Backbone interact. energy: -0.644 local terms energy: -75.239499 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -12.187 tors. eta vs tors. theta energy: -18.831 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: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -208.333558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.333558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.333558 (E_RNA) where: Base-Base interactions energy: -138.557 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.129 local terms energy: -69.647639 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -15.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -213.761467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.761467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.761467 (E_RNA) where: Base-Base interactions energy: -143.924 where: short stacking energy: -66.939 Base-Backbone interact. energy: -0.001 local terms energy: -69.836122 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -11.183 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -19.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -209.103036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.103036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.103036 (E_RNA) where: Base-Base interactions energy: -140.810 where: short stacking energy: -61.933 Base-Backbone interact. energy: 0.573 local terms energy: -68.866269 where: bonds (distance) C4'-P energy: -14.497 bonds (distance) P-C4' energy: -12.940 flat angles C4'-P-C4' energy: -15.786 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -18.210 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: 7 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -204.532616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.532616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.532616 (E_RNA) where: Base-Base interactions energy: -129.402 where: short stacking energy: -65.823 Base-Backbone interact. energy: -1.181 local terms energy: -73.949040 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -17.273 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -11.493 tors. eta vs tors. theta energy: -18.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -205.535431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.535431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.535431 (E_RNA) where: Base-Base interactions energy: -138.601 where: short stacking energy: -54.188 Base-Backbone interact. energy: -0.503 local terms energy: -66.431478 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -16.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -201.569293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.569293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.569293 (E_RNA) where: Base-Base interactions energy: -138.603 where: short stacking energy: -49.862 Base-Backbone interact. energy: -0.351 local terms energy: -62.615364 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -10.344 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -16.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -93.911132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.911132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.911132 (E_RNA) where: Base-Base interactions energy: -39.281 where: short stacking energy: -27.285 Base-Backbone interact. energy: 0.407 local terms energy: -55.037270 where: bonds (distance) C4'-P energy: -12.390 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -4.757 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: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -78.736381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.736381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.736381 (E_RNA) where: Base-Base interactions energy: -24.440 where: short stacking energy: -24.440 Base-Backbone interact. energy: -0.029 local terms energy: -54.266942 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -15.757 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: 1.033 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: 6 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -69.757619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.757619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.757619 (E_RNA) where: Base-Base interactions energy: -29.232 where: short stacking energy: -27.265 Base-Backbone interact. energy: -0.575 local terms energy: -39.950719 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -3.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -228.110343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.110343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.110343 (E_RNA) where: Base-Base interactions energy: -146.691 where: short stacking energy: -66.822 Base-Backbone interact. energy: -0.310 local terms energy: -81.108979 where: bonds (distance) C4'-P energy: -15.731 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -17.327 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -19.907 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: 2, replica: 9 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -217.249839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.249839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.249839 (E_RNA) where: Base-Base interactions energy: -141.940 where: short stacking energy: -63.034 Base-Backbone interact. energy: -1.438 local terms energy: -73.871476 where: bonds (distance) C4'-P energy: -12.985 bonds (distance) P-C4' energy: -12.630 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -21.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -209.939045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.939045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.939045 (E_RNA) where: Base-Base interactions energy: -148.141 where: short stacking energy: -52.555 Base-Backbone interact. energy: -0.129 local terms energy: -61.669479 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.157 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -17.088 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: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -202.590576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.590576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.590576 (E_RNA) where: Base-Base interactions energy: -137.069 where: short stacking energy: -60.938 Base-Backbone interact. energy: -0.103 local terms energy: -65.419171 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -18.032 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -10.763 tors. eta vs tors. theta energy: -16.218 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: 5, replica: 3 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -198.408112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.408112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.408112 (E_RNA) where: Base-Base interactions energy: -127.439 where: short stacking energy: -54.394 Base-Backbone interact. energy: -0.001 local terms energy: -70.968210 where: bonds (distance) C4'-P energy: -14.663 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -13.427 flat angles P-C4'-P energy: -13.117 tors. eta vs tors. theta energy: -15.918 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: 347 Temperature: 1.150000 Total energy: -197.250694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.250694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.250694 (E_RNA) where: Base-Base interactions energy: -127.002 where: short stacking energy: -57.801 Base-Backbone interact. energy: -0.647 local terms energy: -69.601556 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -14.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -202.889829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.889829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.889829 (E_RNA) where: Base-Base interactions energy: -131.391 where: short stacking energy: -61.878 Base-Backbone interact. energy: -0.105 local terms energy: -71.393694 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -22.007 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: 8 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -85.327472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.327472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.327472 (E_RNA) where: Base-Base interactions energy: -32.448 where: short stacking energy: -32.448 Base-Backbone interact. energy: -0.103 local terms energy: -52.776273 where: bonds (distance) C4'-P energy: -10.303 bonds (distance) P-C4' energy: -12.625 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -5.329 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: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -79.747237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.747237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.747237 (E_RNA) where: Base-Base interactions energy: -26.407 where: short stacking energy: -26.407 Base-Backbone interact. energy: -0.144 local terms energy: -53.195606 where: bonds (distance) C4'-P energy: -13.312 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -15.634 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -78.466328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.466328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.466328 (E_RNA) where: Base-Base interactions energy: -36.749 where: short stacking energy: -20.997 Base-Backbone interact. energy: -0.697 local terms energy: -41.019890 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -9.907 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: 1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -221.498811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.498811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.498811 (E_RNA) where: Base-Base interactions energy: -143.365 where: short stacking energy: -69.376 Base-Backbone interact. energy: -1.701 local terms energy: -76.432902 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -12.836 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -20.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -215.367758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.367758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.367758 (E_RNA) where: Base-Base interactions energy: -143.882 where: short stacking energy: -68.147 Base-Backbone interact. energy: -0.021 local terms energy: -71.465131 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -16.633 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -218.317845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.317845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.317845 (E_RNA) where: Base-Base interactions energy: -147.337 where: short stacking energy: -51.355 Base-Backbone interact. energy: -0.098 local terms energy: -70.882262 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -16.557 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -13.604 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: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -201.982982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.982982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.982982 (E_RNA) where: Base-Base interactions energy: -135.371 where: short stacking energy: -57.769 Base-Backbone interact. energy: -0.647 local terms energy: -65.965676 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -18.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -200.265378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.265378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.265378 (E_RNA) where: Base-Base interactions energy: -137.202 where: short stacking energy: -58.705 Base-Backbone interact. energy: -0.239 local terms energy: -62.823578 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -12.161 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -11.588 tors. eta vs tors. theta energy: -12.616 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: 10 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -196.471040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.471040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.471040 (E_RNA) where: Base-Base interactions energy: -128.231 where: short stacking energy: -57.521 Base-Backbone interact. energy: -0.430 local terms energy: -67.810371 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -15.388 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: 7, replica: 1 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -190.041153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.041153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.041153 (E_RNA) where: Base-Base interactions energy: -123.125 where: short stacking energy: -45.164 Base-Backbone interact. energy: -0.099 local terms energy: -66.816679 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -16.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -85.952823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.952823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.952823 (E_RNA) where: Base-Base interactions energy: -39.709 where: short stacking energy: -25.290 Base-Backbone interact. energy: 1.578 local terms energy: -47.821463 where: bonds (distance) C4'-P energy: -12.937 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -11.199 tors. eta vs tors. theta energy: 4.783 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: 6 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -81.679396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.679396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.679396 (E_RNA) where: Base-Base interactions energy: -30.230 where: short stacking energy: -30.230 Base-Backbone interact. energy: -0.141 local terms energy: -51.308051 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -7.572 tors. eta vs tors. theta energy: -2.360 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: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -80.017823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.017823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.017823 (E_RNA) where: Base-Base interactions energy: -27.452 where: short stacking energy: -18.952 Base-Backbone interact. energy: -0.367 local terms energy: -52.198559 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -218.472027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.472027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.472027 (E_RNA) where: Base-Base interactions energy: -136.691 where: short stacking energy: -64.286 Base-Backbone interact. energy: -2.220 local terms energy: -79.560315 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -17.558 flat angles P-C4'-P energy: -11.969 tors. eta vs tors. theta energy: -21.738 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: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -228.617002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.617002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.617002 (E_RNA) where: Base-Base interactions energy: -154.570 where: short stacking energy: -62.049 Base-Backbone interact. energy: -0.422 local terms energy: -73.624508 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -16.209 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -15.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -207.533807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.533807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.533807 (E_RNA) where: Base-Base interactions energy: -138.631 where: short stacking energy: -53.915 Base-Backbone interact. energy: -0.334 local terms energy: -68.569043 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -14.259 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -14.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -207.026648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.026648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.026648 (E_RNA) where: Base-Base interactions energy: -135.566 where: short stacking energy: -62.160 Base-Backbone interact. energy: -0.241 local terms energy: -71.219210 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -18.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -197.202725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.202725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.202725 (E_RNA) where: Base-Base interactions energy: -127.145 where: short stacking energy: -56.854 Base-Backbone interact. energy: -0.082 local terms energy: -69.975546 where: bonds (distance) C4'-P energy: -12.244 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -192.130608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.130608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.130608 (E_RNA) where: Base-Base interactions energy: -121.281 where: short stacking energy: -58.318 Base-Backbone interact. energy: -0.591 local terms energy: -70.257771 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -12.443 flat angles P-C4'-P energy: -11.435 tors. eta vs tors. theta energy: -14.817 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: 10 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -196.211294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.211294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.211294 (E_RNA) where: Base-Base interactions energy: -124.695 where: short stacking energy: -56.760 Base-Backbone interact. energy: -0.235 local terms energy: -71.281423 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -19.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -88.040127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.040127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.040127 (E_RNA) where: Base-Base interactions energy: -33.711 where: short stacking energy: -32.074 Base-Backbone interact. energy: -0.143 local terms energy: -54.185729 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -80.505486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.505486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.505486 (E_RNA) where: Base-Base interactions energy: -36.069 where: short stacking energy: -34.318 Base-Backbone interact. energy: -0.154 local terms energy: -44.281721 where: bonds (distance) C4'-P energy: -15.342 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -1.278 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -11.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -77.433660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.433660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.433660 (E_RNA) where: Base-Base interactions energy: -20.864 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.399 local terms energy: -56.171040 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -9.999 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -215.431626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.431626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.431626 (E_RNA) where: Base-Base interactions energy: -142.680 where: short stacking energy: -50.791 Base-Backbone interact. energy: -0.106 local terms energy: -72.645352 where: bonds (distance) C4'-P energy: -14.436 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -16.828 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -16.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -221.700485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.700485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.700485 (E_RNA) where: Base-Base interactions energy: -158.588 where: short stacking energy: -57.457 Base-Backbone interact. energy: -0.121 local terms energy: -62.991485 where: bonds (distance) C4'-P energy: -8.923 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -17.704 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -11.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -209.634401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.634401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.634401 (E_RNA) where: Base-Base interactions energy: -141.634 where: short stacking energy: -62.718 Base-Backbone interact. energy: -0.020 local terms energy: -67.981249 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.136 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -19.167 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -207.012755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.012755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.012755 (E_RNA) where: Base-Base interactions energy: -133.771 where: short stacking energy: -57.626 Base-Backbone interact. energy: -0.044 local terms energy: -73.197715 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -14.162 tors. eta vs tors. theta energy: -19.347 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: 3 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -207.558154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.558154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.558154 (E_RNA) where: Base-Base interactions energy: -136.215 where: short stacking energy: -61.060 Base-Backbone interact. energy: -0.008 local terms energy: -71.335313 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -13.572 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -20.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -204.461456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.461456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.461456 (E_RNA) where: Base-Base interactions energy: -133.104 where: short stacking energy: -60.714 Base-Backbone interact. energy: -0.003 local terms energy: -71.354337 where: bonds (distance) C4'-P energy: -10.062 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -20.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -190.338865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.338865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.338865 (E_RNA) where: Base-Base interactions energy: -123.350 where: short stacking energy: -51.473 Base-Backbone interact. energy: -0.176 local terms energy: -66.813159 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -12.454 tors. eta vs tors. theta energy: -11.713 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: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -84.304192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.304192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.304192 (E_RNA) where: Base-Base interactions energy: -37.859 where: short stacking energy: -27.984 Base-Backbone interact. energy: -0.195 local terms energy: -46.250643 where: bonds (distance) C4'-P energy: -12.302 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -4.320 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: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -74.481809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.481809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.481809 (E_RNA) where: Base-Base interactions energy: -25.040 where: short stacking energy: -25.040 Base-Backbone interact. energy: -0.046 local terms energy: -49.395591 where: bonds (distance) C4'-P energy: -11.720 bonds (distance) P-C4' energy: -11.424 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -13.242 tors. eta vs tors. theta energy: 0.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -71.491918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.491918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.491918 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -17.626 Base-Backbone interact. energy: -0.070 local terms energy: -48.877305 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -13.329 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -3.013 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: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -221.288734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.288734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.288734 (E_RNA) where: Base-Base interactions energy: -146.094 where: short stacking energy: -50.917 Base-Backbone interact. energy: -0.670 local terms energy: -74.524502 where: bonds (distance) C4'-P energy: -14.302 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -17.141 flat angles P-C4'-P energy: -12.184 tors. eta vs tors. theta energy: -14.278 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: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -208.826127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.826127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.826127 (E_RNA) where: Base-Base interactions energy: -133.588 where: short stacking energy: -51.836 Base-Backbone interact. energy: -0.288 local terms energy: -74.950556 where: bonds (distance) C4'-P energy: -14.956 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -12.457 tors. eta vs tors. theta energy: -16.625 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: 7 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -206.617301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.617301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.617301 (E_RNA) where: Base-Base interactions energy: -133.382 where: short stacking energy: -59.379 Base-Backbone interact. energy: -0.002 local terms energy: -73.233372 where: bonds (distance) C4'-P energy: -14.853 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -13.488 tors. eta vs tors. theta energy: -15.620 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: 2 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -201.690204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.690204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.690204 (E_RNA) where: Base-Base interactions energy: -131.415 where: short stacking energy: -59.397 Base-Backbone interact. energy: -2.087 local terms energy: -68.187591 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -9.640 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -18.498 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: 5, replica: 3 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -205.088334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.088334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.088334 (E_RNA) where: Base-Base interactions energy: -138.365 where: short stacking energy: -64.072 Base-Backbone interact. energy: -0.002 local terms energy: -66.721789 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -16.223 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -17.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -194.103642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.103642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.103642 (E_RNA) where: Base-Base interactions energy: -127.496 where: short stacking energy: -51.602 Base-Backbone interact. energy: -0.484 local terms energy: -66.123833 where: bonds (distance) C4'-P energy: -11.164 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -197.506688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.506688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.506688 (E_RNA) where: Base-Base interactions energy: -124.019 where: short stacking energy: -49.832 Base-Backbone interact. energy: -0.004 local terms energy: -73.483959 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -81.901089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.901089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.901089 (E_RNA) where: Base-Base interactions energy: -30.555 where: short stacking energy: -26.660 Base-Backbone interact. energy: -0.313 local terms energy: -51.032446 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -6.013 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: 8 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -73.966903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.966903 (E_RNA) where: Base-Base interactions energy: -33.741 where: short stacking energy: -26.723 Base-Backbone interact. energy: -0.414 local terms energy: -39.811932 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -1.362 tors. eta vs tors. theta energy: -4.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -73.407441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.407441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.407441 (E_RNA) where: Base-Base interactions energy: -22.076 where: short stacking energy: -18.252 Base-Backbone interact. energy: -0.022 local terms energy: -51.309596 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -5.445 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: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -217.740866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.740866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.740866 (E_RNA) where: Base-Base interactions energy: -146.432 where: short stacking energy: -68.424 Base-Backbone interact. energy: -0.640 local terms energy: -70.668861 where: bonds (distance) C4'-P energy: -10.920 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -16.232 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -18.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -212.785215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.785215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.785215 (E_RNA) where: Base-Base interactions energy: -143.481 where: short stacking energy: -64.205 Base-Backbone interact. energy: -0.089 local terms energy: -69.215358 where: bonds (distance) C4'-P energy: -10.737 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -16.169 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -18.144 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: 3, replica: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -212.149854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.149854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.149854 (E_RNA) where: Base-Base interactions energy: -136.198 where: short stacking energy: -59.595 Base-Backbone interact. energy: -0.886 local terms energy: -75.065125 where: bonds (distance) C4'-P energy: -14.704 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -12.607 tors. eta vs tors. theta energy: -19.980 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: 2 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -207.792635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.792635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.792635 (E_RNA) where: Base-Base interactions energy: -138.556 where: short stacking energy: -60.699 Base-Backbone interact. energy: -0.129 local terms energy: -69.107236 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -15.551 flat angles P-C4'-P energy: -10.288 tors. eta vs tors. theta energy: -18.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -211.402915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.402915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.402915 (E_RNA) where: Base-Base interactions energy: -149.136 where: short stacking energy: -64.790 Base-Backbone interact. energy: -0.871 local terms energy: -61.395703 where: bonds (distance) C4'-P energy: -8.294 bonds (distance) P-C4' energy: -9.569 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -197.241695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.241695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.241695 (E_RNA) where: Base-Base interactions energy: -139.175 where: short stacking energy: -53.439 Base-Backbone interact. energy: -1.994 local terms energy: -56.073229 where: bonds (distance) C4'-P energy: -10.780 bonds (distance) P-C4' energy: -8.405 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -14.514 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: 1 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -192.836344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.836344 (E_RNA) where: Base-Base interactions energy: -132.656 where: short stacking energy: -59.711 Base-Backbone interact. energy: -0.003 local terms energy: -60.177280 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -5.476 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: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -96.346080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.346080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.346080 (E_RNA) where: Base-Base interactions energy: -48.395 where: short stacking energy: -32.816 Base-Backbone interact. energy: -0.164 local terms energy: -47.786678 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -9.650 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -8.253 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: 9, replica: 6 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -71.628027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.628027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.628027 (E_RNA) where: Base-Base interactions energy: -24.604 where: short stacking energy: -24.804 Base-Backbone interact. energy: -0.042 local terms energy: -46.981410 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -2.578 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: 8 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -75.353084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.353084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.353084 (E_RNA) where: Base-Base interactions energy: -34.205 where: short stacking energy: -16.888 Base-Backbone interact. energy: -0.279 local terms energy: -40.869092 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -11.011 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: 3.209 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: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -222.021278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.021278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.021278 (E_RNA) where: Base-Base interactions energy: -156.999 where: short stacking energy: -65.285 Base-Backbone interact. energy: -0.361 local terms energy: -64.661360 where: bonds (distance) C4'-P energy: -11.702 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -13.663 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -15.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -217.487538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.487538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.487538 (E_RNA) where: Base-Base interactions energy: -143.098 where: short stacking energy: -70.929 Base-Backbone interact. energy: -2.152 local terms energy: -72.237557 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -11.413 flat angles C4'-P-C4' energy: -14.820 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -20.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -213.760273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.760273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.760273 (E_RNA) where: Base-Base interactions energy: -139.293 where: short stacking energy: -63.754 Base-Backbone interact. energy: -0.522 local terms energy: -73.945749 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -9.616 tors. eta vs tors. theta energy: -21.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -199.621936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.621936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.621936 (E_RNA) where: Base-Base interactions energy: -132.039 where: short stacking energy: -60.139 Base-Backbone interact. energy: -0.487 local terms energy: -67.095040 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -11.694 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: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -201.883096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.883096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.883096 (E_RNA) where: Base-Base interactions energy: -136.278 where: short stacking energy: -61.219 Base-Backbone interact. energy: -0.018 local terms energy: -65.586454 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -14.068 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -12.966 tors. eta vs tors. theta energy: -12.959 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: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -197.117145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.117145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.117145 (E_RNA) where: Base-Base interactions energy: -129.191 where: short stacking energy: -57.051 Base-Backbone interact. energy: -0.113 local terms energy: -67.813167 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -9.386 tors. eta vs tors. theta energy: -16.712 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: 353 Temperature: 1.200000 Total energy: -187.458321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.458321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.458321 (E_RNA) where: Base-Base interactions energy: -128.783 where: short stacking energy: -46.802 Base-Backbone interact. energy: -0.008 local terms energy: -58.666732 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -11.866 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -94.055271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.055271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.055271 (E_RNA) where: Base-Base interactions energy: -35.506 where: short stacking energy: -31.736 Base-Backbone interact. energy: -1.255 local terms energy: -57.294340 where: bonds (distance) C4'-P energy: -8.679 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.737 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -8.529 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: 4 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -71.802054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.802054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.802054 (E_RNA) where: Base-Base interactions energy: -25.751 where: short stacking energy: -24.446 Base-Backbone interact. energy: -0.144 local terms energy: -45.907360 where: bonds (distance) C4'-P energy: -11.728 bonds (distance) P-C4' energy: -9.662 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -3.474 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: 8 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -68.962780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.962780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.962780 (E_RNA) where: Base-Base interactions energy: -22.010 where: short stacking energy: -20.492 Base-Backbone interact. energy: -0.009 local terms energy: -46.943456 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: 0.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -224.307064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.307064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.307064 (E_RNA) where: Base-Base interactions energy: -151.479 where: short stacking energy: -62.352 Base-Backbone interact. energy: -0.059 local terms energy: -72.769340 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -219.372738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.372738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.372738 (E_RNA) where: Base-Base interactions energy: -152.633 where: short stacking energy: -59.451 Base-Backbone interact. energy: -0.190 local terms energy: -66.549563 where: bonds (distance) C4'-P energy: -12.286 bonds (distance) P-C4' energy: -15.974 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -213.427540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.427540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.427540 (E_RNA) where: Base-Base interactions energy: -135.960 where: short stacking energy: -64.301 Base-Backbone interact. energy: -0.029 local terms energy: -77.438200 where: bonds (distance) C4'-P energy: -16.347 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -207.400461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.400461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.400461 (E_RNA) where: Base-Base interactions energy: -143.032 where: short stacking energy: -63.818 Base-Backbone interact. energy: -0.001 local terms energy: -64.368260 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -11.492 flat angles C4'-P-C4' energy: -16.799 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -202.889243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.889243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.889243 (E_RNA) where: Base-Base interactions energy: -134.056 where: short stacking energy: -59.962 Base-Backbone interact. energy: -0.018 local terms energy: -68.815091 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -11.638 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -19.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -191.580128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.580128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.580128 (E_RNA) where: Base-Base interactions energy: -123.467 where: short stacking energy: -52.914 Base-Backbone interact. energy: -0.085 local terms energy: -68.028059 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -9.136 flat angles P-C4'-P energy: -12.224 tors. eta vs tors. theta energy: -15.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -186.088906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.088906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.088906 (E_RNA) where: Base-Base interactions energy: -124.985 where: short stacking energy: -55.152 Base-Backbone interact. energy: -0.178 local terms energy: -60.925598 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -11.818 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -10.739 tors. eta vs tors. theta energy: -14.280 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: 354 Temperature: 1.250000 Total energy: -80.478204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.478204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.478204 (E_RNA) where: Base-Base interactions energy: -35.848 where: short stacking energy: -32.739 Base-Backbone interact. energy: -0.681 local terms energy: -43.949497 where: bonds (distance) C4'-P energy: -9.145 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -13.765 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -5.802 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: 8 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -71.864103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.864103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.864103 (E_RNA) where: Base-Base interactions energy: -24.532 where: short stacking energy: -24.532 Base-Backbone interact. energy: -0.089 local terms energy: -47.243271 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -6.189 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: 4 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -80.449055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.449055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.449055 (E_RNA) where: Base-Base interactions energy: -35.908 where: short stacking energy: -26.978 Base-Backbone interact. energy: -0.812 local terms energy: -43.728756 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -16.183 flat angles C4'-P-C4' energy: -9.809 flat angles P-C4'-P energy: -0.707 tors. eta vs tors. theta energy: -4.318 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: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -218.694320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.694320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.694320 (E_RNA) where: Base-Base interactions energy: -145.776 where: short stacking energy: -63.975 Base-Backbone interact. energy: -0.012 local terms energy: -72.906600 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -18.320 flat angles P-C4'-P energy: -10.543 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -221.822757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.822757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.822757 (E_RNA) where: Base-Base interactions energy: -143.930 where: short stacking energy: -66.970 Base-Backbone interact. energy: -0.006 local terms energy: -77.887704 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -18.297 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: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -214.378439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.378439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.378439 (E_RNA) where: Base-Base interactions energy: -140.990 where: short stacking energy: -59.005 Base-Backbone interact. energy: -0.590 local terms energy: -72.799127 where: bonds (distance) C4'-P energy: -16.025 bonds (distance) P-C4' energy: -15.131 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -9.843 tors. eta vs tors. theta energy: -16.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -208.646163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.646163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.646163 (E_RNA) where: Base-Base interactions energy: -137.747 where: short stacking energy: -65.258 Base-Backbone interact. energy: -0.159 local terms energy: -70.740539 where: bonds (distance) C4'-P energy: -13.422 bonds (distance) P-C4' energy: -13.521 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -19.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -199.819403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.819403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.819403 (E_RNA) where: Base-Base interactions energy: -129.434 where: short stacking energy: -63.768 Base-Backbone interact. energy: -0.003 local terms energy: -70.383182 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -13.709 flat angles P-C4'-P energy: -7.489 tors. eta vs tors. theta energy: -19.723 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: 355 Temperature: 1.150000 Total energy: -195.391396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.391396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.391396 (E_RNA) where: Base-Base interactions energy: -134.626 where: short stacking energy: -64.783 Base-Backbone interact. energy: 0.271 local terms energy: -61.036473 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -11.277 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -17.498 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: 1 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -188.800677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.800677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.800677 (E_RNA) where: Base-Base interactions energy: -126.590 where: short stacking energy: -59.181 Base-Backbone interact. energy: -0.067 local terms energy: -62.143599 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -17.324 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: 8 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -84.660194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.660194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.660194 (E_RNA) where: Base-Base interactions energy: -28.542 where: short stacking energy: -27.967 Base-Backbone interact. energy: 0.853 local terms energy: -56.971066 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -7.810 tors. eta vs tors. theta energy: -4.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -76.833987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.833987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.833987 (E_RNA) where: Base-Base interactions energy: -37.922 where: short stacking energy: -21.208 Base-Backbone interact. energy: -0.049 local terms energy: -38.863277 where: bonds (distance) C4'-P energy: -14.886 bonds (distance) P-C4' energy: -7.816 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -78.829026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.829026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.829026 (E_RNA) where: Base-Base interactions energy: -34.854 where: short stacking energy: -27.459 Base-Backbone interact. energy: -0.127 local terms energy: -43.847854 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -4.966 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: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -219.747468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.747468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.747468 (E_RNA) where: Base-Base interactions energy: -144.632 where: short stacking energy: -67.774 Base-Backbone interact. energy: -0.001 local terms energy: -75.114783 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -16.378 flat angles P-C4'-P energy: -12.596 tors. eta vs tors. theta energy: -20.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -214.762519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.762519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.762519 (E_RNA) where: Base-Base interactions energy: -139.222 where: short stacking energy: -59.621 Base-Backbone interact. energy: -1.170 local terms energy: -74.370342 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -12.997 tors. eta vs tors. theta energy: -20.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -211.346809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.346809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.346809 (E_RNA) where: Base-Base interactions energy: -138.140 where: short stacking energy: -62.968 Base-Backbone interact. energy: -0.024 local terms energy: -73.182942 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -15.239 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -11.409 tors. eta vs tors. theta energy: -18.014 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: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -214.203444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.203444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.203444 (E_RNA) where: Base-Base interactions energy: -146.258 where: short stacking energy: -70.699 Base-Backbone interact. energy: -0.000 local terms energy: -67.945713 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -9.845 tors. eta vs tors. theta energy: -21.359 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: 5, replica: 3 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -201.209867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.209867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.209867 (E_RNA) where: Base-Base interactions energy: -132.069 where: short stacking energy: -55.594 Base-Backbone interact. energy: -0.914 local terms energy: -68.226135 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -16.062 flat angles C4'-P-C4' energy: -10.261 flat angles P-C4'-P energy: -10.146 tors. eta vs tors. theta energy: -16.796 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: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -194.285529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.285529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.285529 (E_RNA) where: Base-Base interactions energy: -128.498 where: short stacking energy: -57.799 Base-Backbone interact. energy: -0.763 local terms energy: -65.024981 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -10.561 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -15.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -187.619513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.619513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.619513 (E_RNA) where: Base-Base interactions energy: -122.323 where: short stacking energy: -52.062 Base-Backbone interact. energy: -0.337 local terms energy: -64.958640 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -13.410 flat angles C4'-P-C4' energy: -16.502 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -14.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -95.105964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.105964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.105964 (E_RNA) where: Base-Base interactions energy: -52.573 where: short stacking energy: -32.022 Base-Backbone interact. energy: -0.347 local terms energy: -42.186106 where: bonds (distance) C4'-P energy: -15.378 bonds (distance) P-C4' energy: -8.797 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -1.119 tors. eta vs tors. theta energy: -4.655 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: 4 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -83.522592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.522592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.522592 (E_RNA) where: Base-Base interactions energy: -42.242 where: short stacking energy: -21.206 Base-Backbone interact. energy: -0.120 local terms energy: -41.160591 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -2.408 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -2.527 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: 6 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -74.562630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.562630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.562630 (E_RNA) where: Base-Base interactions energy: -26.474 where: short stacking energy: -17.800 Base-Backbone interact. energy: -0.047 local terms energy: -48.041468 where: bonds (distance) C4'-P energy: -9.951 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -221.788372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.788372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.788372 (E_RNA) where: Base-Base interactions energy: -144.063 where: short stacking energy: -59.921 Base-Backbone interact. energy: -0.640 local terms energy: -77.085093 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -18.083 flat angles P-C4'-P energy: -12.969 tors. eta vs tors. theta energy: -19.036 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: 2, replica: 7 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -216.841978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.841978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.841978 (E_RNA) where: Base-Base interactions energy: -141.436 where: short stacking energy: -61.549 Base-Backbone interact. energy: -0.203 local terms energy: -75.202559 where: bonds (distance) C4'-P energy: -15.081 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -19.808 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: 2 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -208.002890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.002890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.002890 (E_RNA) where: Base-Base interactions energy: -143.481 where: short stacking energy: -51.136 Base-Backbone interact. energy: -0.429 local terms energy: -64.092774 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -10.276 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -14.694 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: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -209.247346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.247346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.247346 (E_RNA) where: Base-Base interactions energy: -135.837 where: short stacking energy: -64.081 Base-Backbone interact. energy: -0.072 local terms energy: -73.338643 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -15.369 flat angles P-C4'-P energy: -10.235 tors. eta vs tors. theta energy: -19.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -203.689899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.689899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.689899 (E_RNA) where: Base-Base interactions energy: -137.010 where: short stacking energy: -57.722 Base-Backbone interact. energy: -0.143 local terms energy: -66.536660 where: bonds (distance) C4'-P energy: -12.273 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -15.256 flat angles P-C4'-P energy: -7.475 tors. eta vs tors. theta energy: -14.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -195.750527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.750527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.750527 (E_RNA) where: Base-Base interactions energy: -132.308 where: short stacking energy: -55.347 Base-Backbone interact. energy: -0.099 local terms energy: -63.343484 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -11.560 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -15.229 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: 7, replica: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -188.612051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.612051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.612051 (E_RNA) where: Base-Base interactions energy: -128.852 where: short stacking energy: -46.435 Base-Backbone interact. energy: -0.118 local terms energy: -59.641624 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -14.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -74.590847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.590847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.590847 (E_RNA) where: Base-Base interactions energy: -35.678 where: short stacking energy: -18.619 Base-Backbone interact. energy: -0.043 local terms energy: -38.869932 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -10.622 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: 1.776 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: 8 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -85.455946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.455946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.455946 (E_RNA) where: Base-Base interactions energy: -43.073 where: short stacking energy: -26.222 Base-Backbone interact. energy: -0.484 local terms energy: -41.899145 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.138 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -0.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -81.921767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.921767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.921767 (E_RNA) where: Base-Base interactions energy: -29.918 where: short stacking energy: -29.918 Base-Backbone interact. energy: -0.275 local terms energy: -51.728555 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -16.280 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -4.097 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -223.057703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.057703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.057703 (E_RNA) where: Base-Base interactions energy: -145.597 where: short stacking energy: -66.434 Base-Backbone interact. energy: -0.247 local terms energy: -77.213546 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -20.179 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: 7 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -218.799877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.799877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.799877 (E_RNA) where: Base-Base interactions energy: -146.514 where: short stacking energy: -61.311 Base-Backbone interact. energy: -0.004 local terms energy: -72.282174 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -12.195 tors. eta vs tors. theta energy: -17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -206.986773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.986773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.986773 (E_RNA) where: Base-Base interactions energy: -132.703 where: short stacking energy: -59.994 Base-Backbone interact. energy: -0.102 local terms energy: -74.181995 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -17.032 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -17.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -208.845385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.845385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.845385 (E_RNA) where: Base-Base interactions energy: -137.179 where: short stacking energy: -64.172 Base-Backbone interact. energy: -0.018 local terms energy: -71.647875 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -11.521 flat angles C4'-P-C4' energy: -12.884 flat angles P-C4'-P energy: -14.248 tors. eta vs tors. theta energy: -18.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -209.563248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.563248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.563248 (E_RNA) where: Base-Base interactions energy: -134.842 where: short stacking energy: -65.900 Base-Backbone interact. energy: -0.173 local terms energy: -74.548047 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -14.421 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -20.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -190.918277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.918277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.918277 (E_RNA) where: Base-Base interactions energy: -122.077 where: short stacking energy: -56.281 Base-Backbone interact. energy: -0.547 local terms energy: -68.293717 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -201.918106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.918106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.918106 (E_RNA) where: Base-Base interactions energy: -132.803 where: short stacking energy: -61.642 Base-Backbone interact. energy: -0.122 local terms energy: -68.993574 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -8.351 tors. eta vs tors. theta energy: -17.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -83.604339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.604339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.604339 (E_RNA) where: Base-Base interactions energy: -30.532 where: short stacking energy: -30.532 Base-Backbone interact. energy: -0.134 local terms energy: -52.939132 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -10.691 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -87.825572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.825572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.825572 (E_RNA) where: Base-Base interactions energy: -41.560 where: short stacking energy: -32.768 Base-Backbone interact. energy: -0.048 local terms energy: -46.217889 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -12.224 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -97.734453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.734453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.734453 (E_RNA) where: Base-Base interactions energy: -42.308 where: short stacking energy: -29.351 Base-Backbone interact. energy: -0.141 local terms energy: -55.285633 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -218.805646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.805646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.805646 (E_RNA) where: Base-Base interactions energy: -141.488 where: short stacking energy: -62.115 Base-Backbone interact. energy: -0.012 local terms energy: -77.305005 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -18.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -212.604291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.604291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.604291 (E_RNA) where: Base-Base interactions energy: -148.411 where: short stacking energy: -52.859 Base-Backbone interact. energy: -0.130 local terms energy: -64.063156 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -13.615 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: 7 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -208.888594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.888594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.888594 (E_RNA) where: Base-Base interactions energy: -133.384 where: short stacking energy: -61.823 Base-Backbone interact. energy: -2.692 local terms energy: -72.812567 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -18.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -206.222911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.222911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.222911 (E_RNA) where: Base-Base interactions energy: -140.842 where: short stacking energy: -63.060 Base-Backbone interact. energy: -0.372 local terms energy: -65.008778 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -13.551 flat angles C4'-P-C4' energy: -10.420 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -19.150 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: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -200.808933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.808933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.808933 (E_RNA) where: Base-Base interactions energy: -130.294 where: short stacking energy: -64.482 Base-Backbone interact. energy: -0.310 local terms energy: -70.205654 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -21.135 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: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -191.403093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.403093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.403093 (E_RNA) where: Base-Base interactions energy: -130.869 where: short stacking energy: -56.215 Base-Backbone interact. energy: -0.674 local terms energy: -59.860067 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -15.198 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -15.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -194.639160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.639160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.639160 (E_RNA) where: Base-Base interactions energy: -128.420 where: short stacking energy: -57.961 Base-Backbone interact. energy: -0.007 local terms energy: -66.211842 where: bonds (distance) C4'-P energy: -15.163 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -77.725066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.725066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.725066 (E_RNA) where: Base-Base interactions energy: -27.788 where: short stacking energy: -27.649 Base-Backbone interact. energy: -0.012 local terms energy: -49.925583 where: bonds (distance) C4'-P energy: -16.484 bonds (distance) P-C4' energy: -10.257 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -1.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -84.669165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.669165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.669165 (E_RNA) where: Base-Base interactions energy: -30.755 where: short stacking energy: -27.331 Base-Backbone interact. energy: 0.855 local terms energy: -54.770032 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -16.026 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -5.980 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: 8 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -73.086897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.086897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.086897 (E_RNA) where: Base-Base interactions energy: -24.859 where: short stacking energy: -24.859 Base-Backbone interact. energy: 1.323 local terms energy: -49.551442 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -227.205472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.205472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.205472 (E_RNA) where: Base-Base interactions energy: -157.892 where: short stacking energy: -59.042 Base-Backbone interact. energy: -0.609 local terms energy: -68.704886 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -15.063 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -15.910 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: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -219.663109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.663109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.663109 (E_RNA) where: Base-Base interactions energy: -138.074 where: short stacking energy: -66.603 Base-Backbone interact. energy: -0.540 local terms energy: -81.050017 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -16.372 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -22.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -205.825443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.825443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.825443 (E_RNA) where: Base-Base interactions energy: -131.024 where: short stacking energy: -64.197 Base-Backbone interact. energy: -0.004 local terms energy: -74.797730 where: bonds (distance) C4'-P energy: -16.376 bonds (distance) P-C4' energy: -13.573 flat angles C4'-P-C4' energy: -15.678 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -19.664 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: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -207.948767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.948767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.948767 (E_RNA) where: Base-Base interactions energy: -138.647 where: short stacking energy: -67.868 Base-Backbone interact. energy: -0.486 local terms energy: -68.815440 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -15.748 flat angles C4'-P-C4' energy: -12.698 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -18.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -206.540045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.540045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.540045 (E_RNA) where: Base-Base interactions energy: -137.257 where: short stacking energy: -58.669 Base-Backbone interact. energy: -1.275 local terms energy: -68.007292 where: bonds (distance) C4'-P energy: -16.199 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -14.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -193.858043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.858043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.858043 (E_RNA) where: Base-Base interactions energy: -123.153 where: short stacking energy: -56.391 Base-Backbone interact. energy: -0.005 local terms energy: -70.700778 where: bonds (distance) C4'-P energy: -14.536 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -10.393 tors. eta vs tors. theta energy: -19.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -202.120368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.120368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.120368 (E_RNA) where: Base-Base interactions energy: -132.776 where: short stacking energy: -56.532 Base-Backbone interact. energy: -0.112 local terms energy: -69.231585 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -10.864 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -12.209 tors. eta vs tors. theta energy: -16.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -70.657822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.657822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.657822 (E_RNA) where: Base-Base interactions energy: -21.744 where: short stacking energy: -21.492 Base-Backbone interact. energy: -1.039 local terms energy: -47.874244 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -10.924 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -3.211 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: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -75.064191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.064191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.064191 (E_RNA) where: Base-Base interactions energy: -23.486 where: short stacking energy: -23.486 Base-Backbone interact. energy: -0.142 local terms energy: -51.435572 where: bonds (distance) C4'-P energy: -12.289 bonds (distance) P-C4' energy: -13.603 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -81.679038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.679038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.679038 (E_RNA) where: Base-Base interactions energy: -33.187 where: short stacking energy: -33.187 Base-Backbone interact. energy: -0.168 local terms energy: -48.323403 where: bonds (distance) C4'-P energy: -7.975 bonds (distance) P-C4' energy: -8.446 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -10.335 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: 3 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -223.923312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.923312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.923312 (E_RNA) where: Base-Base interactions energy: -149.700 where: short stacking energy: -58.432 Base-Backbone interact. energy: -0.037 local terms energy: -74.186368 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -18.281 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: 7 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -215.341590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.341590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.341590 (E_RNA) where: Base-Base interactions energy: -138.859 where: short stacking energy: -61.848 Base-Backbone interact. energy: -0.009 local terms energy: -76.473754 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -17.648 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -19.632 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: 9 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -211.067733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.067733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.067733 (E_RNA) where: Base-Base interactions energy: -135.813 where: short stacking energy: -63.352 Base-Backbone interact. energy: -0.236 local terms energy: -75.018366 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -16.503 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -19.409 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: 4, replica: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -215.837496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.837496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.837496 (E_RNA) where: Base-Base interactions energy: -147.775 where: short stacking energy: -52.128 Base-Backbone interact. energy: -0.764 local terms energy: -67.298121 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -8.971 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -12.675 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -208.041130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.041130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.041130 (E_RNA) where: Base-Base interactions energy: -136.620 where: short stacking energy: -61.560 Base-Backbone interact. energy: -0.022 local terms energy: -71.399363 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -15.753 flat angles P-C4'-P energy: -9.561 tors. eta vs tors. theta energy: -17.659 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: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -195.959322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.959322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.959322 (E_RNA) where: Base-Base interactions energy: -133.354 where: short stacking energy: -58.052 Base-Backbone interact. energy: -0.427 local terms energy: -62.178182 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -9.673 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -194.590869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.590869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.590869 (E_RNA) where: Base-Base interactions energy: -129.578 where: short stacking energy: -51.326 Base-Backbone interact. energy: -0.012 local terms energy: -65.000563 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -79.860794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.860794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.860794 (E_RNA) where: Base-Base interactions energy: -28.742 where: short stacking energy: -24.932 Base-Backbone interact. energy: 0.966 local terms energy: -52.084552 where: bonds (distance) C4'-P energy: -10.995 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -9.217 tors. eta vs tors. theta energy: -2.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -73.351180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.351180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.351180 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -24.221 Base-Backbone interact. energy: -0.046 local terms energy: -49.084439 where: bonds (distance) C4'-P energy: -11.474 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -9.946 tors. eta vs tors. theta energy: 0.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -76.618944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.618944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.618944 (E_RNA) where: Base-Base interactions energy: -35.575 where: short stacking energy: -16.644 Base-Backbone interact. energy: -0.209 local terms energy: -40.835394 where: bonds (distance) C4'-P energy: -10.225 bonds (distance) P-C4' energy: -12.414 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -12.822 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -220.959084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.959084 (E_RNA) where: Base-Base interactions energy: -141.962 where: short stacking energy: -67.468 Base-Backbone interact. energy: -0.000 local terms energy: -78.996552 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -20.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -222.282509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.282509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.282509 (E_RNA) where: Base-Base interactions energy: -151.987 where: short stacking energy: -52.644 Base-Backbone interact. energy: -0.439 local terms energy: -69.856536 where: bonds (distance) C4'-P energy: -14.399 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -15.095 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -13.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -216.399896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.399896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.399896 (E_RNA) where: Base-Base interactions energy: -144.860 where: short stacking energy: -62.523 Base-Backbone interact. energy: -0.107 local terms energy: -71.432620 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -15.543 flat angles C4'-P-C4' energy: -16.313 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -15.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -209.418904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.418904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.418904 (E_RNA) where: Base-Base interactions energy: -137.557 where: short stacking energy: -62.966 Base-Backbone interact. energy: -0.598 local terms energy: -71.263839 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -200.392405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.392405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.392405 (E_RNA) where: Base-Base interactions energy: -134.874 where: short stacking energy: -57.086 Base-Backbone interact. energy: -0.162 local terms energy: -65.355753 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -11.336 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -15.778 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: 6, replica: 2 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -194.297591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.297591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.297591 (E_RNA) where: Base-Base interactions energy: -126.866 where: short stacking energy: -52.524 Base-Backbone interact. energy: -0.876 local terms energy: -66.555059 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -16.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -177.771519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.771519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.771519 (E_RNA) where: Base-Base interactions energy: -115.484 where: short stacking energy: -52.248 Base-Backbone interact. energy: -0.239 local terms energy: -62.048266 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -15.604 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -12.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -85.272596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.272596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.272596 (E_RNA) where: Base-Base interactions energy: -37.094 where: short stacking energy: -22.731 Base-Backbone interact. energy: -0.135 local terms energy: -48.043546 where: bonds (distance) C4'-P energy: -13.701 bonds (distance) P-C4' energy: -11.352 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -78.996005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.996005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.996005 (E_RNA) where: Base-Base interactions energy: -37.574 where: short stacking energy: -11.066 Base-Backbone interact. energy: 0.948 local terms energy: -42.370261 where: bonds (distance) C4'-P energy: -10.575 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -0.105 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: 6 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -84.214076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.214076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.214076 (E_RNA) where: Base-Base interactions energy: -33.527 where: short stacking energy: -32.671 Base-Backbone interact. energy: 2.127 local terms energy: -52.813612 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -6.569 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -210.198737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.198737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.198737 (E_RNA) where: Base-Base interactions energy: -139.497 where: short stacking energy: -55.720 Base-Backbone interact. energy: -0.011 local terms energy: -70.690878 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -18.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -220.418899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.418899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.418899 (E_RNA) where: Base-Base interactions energy: -150.587 where: short stacking energy: -53.201 Base-Backbone interact. energy: -0.359 local terms energy: -69.472929 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -14.700 flat angles P-C4'-P energy: -12.196 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -203.831869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.831869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.831869 (E_RNA) where: Base-Base interactions energy: -138.372 where: short stacking energy: -62.717 Base-Backbone interact. energy: -0.850 local terms energy: -64.609404 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -9.244 tors. eta vs tors. theta energy: -17.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -210.394739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.394739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.394739 (E_RNA) where: Base-Base interactions energy: -137.698 where: short stacking energy: -58.736 Base-Backbone interact. energy: -0.029 local terms energy: -72.668130 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -18.042 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -7.784 tors. eta vs tors. theta energy: -17.590 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: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -198.043026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.043026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.043026 (E_RNA) where: Base-Base interactions energy: -137.584 where: short stacking energy: -62.478 Base-Backbone interact. energy: -0.152 local terms energy: -60.306576 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -10.296 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -195.577019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.577019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.577019 (E_RNA) where: Base-Base interactions energy: -128.468 where: short stacking energy: -53.049 Base-Backbone interact. energy: -0.036 local terms energy: -67.073420 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -18.616 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: 10 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -187.934287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.934287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.934287 (E_RNA) where: Base-Base interactions energy: -130.063 where: short stacking energy: -51.756 Base-Backbone interact. energy: -0.119 local terms energy: -57.752105 where: bonds (distance) C4'-P energy: -9.169 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -13.602 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -78.508369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.508369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.508369 (E_RNA) where: Base-Base interactions energy: -28.171 where: short stacking energy: -26.592 Base-Backbone interact. energy: -0.009 local terms energy: -50.328566 where: bonds (distance) C4'-P energy: -13.439 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -85.434807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.434807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.434807 (E_RNA) where: Base-Base interactions energy: -37.058 where: short stacking energy: -37.058 Base-Backbone interact. energy: -0.067 local terms energy: -48.309790 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -11.943 flat angles C4'-P-C4' energy: -7.907 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -68.881210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.881210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.881210 (E_RNA) where: Base-Base interactions energy: -29.019 where: short stacking energy: -28.690 Base-Backbone interact. energy: -0.337 local terms energy: -39.524770 where: bonds (distance) C4'-P energy: -8.886 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -218.917969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.917969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.917969 (E_RNA) where: Base-Base interactions energy: -140.616 where: short stacking energy: -64.930 Base-Backbone interact. energy: -0.875 local terms energy: -77.427254 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -12.802 tors. eta vs tors. theta energy: -22.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -223.180652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.180652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.180652 (E_RNA) where: Base-Base interactions energy: -159.981 where: short stacking energy: -57.997 Base-Backbone interact. energy: -0.738 local terms energy: -62.461644 where: bonds (distance) C4'-P energy: -10.516 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: -17.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -207.591973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.591973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.591973 (E_RNA) where: Base-Base interactions energy: -138.110 where: short stacking energy: -63.321 Base-Backbone interact. energy: -0.030 local terms energy: -69.452047 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -14.889 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -15.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -212.625892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.625892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.625892 (E_RNA) where: Base-Base interactions energy: -141.102 where: short stacking energy: -56.893 Base-Backbone interact. energy: -0.051 local terms energy: -71.472697 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -14.386 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -202.226713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.226713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.226713 (E_RNA) where: Base-Base interactions energy: -129.322 where: short stacking energy: -55.275 Base-Backbone interact. energy: -0.490 local terms energy: -72.414391 where: bonds (distance) C4'-P energy: -16.202 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -21.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -194.980268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.980268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.980268 (E_RNA) where: Base-Base interactions energy: -128.151 where: short stacking energy: -60.688 Base-Backbone interact. energy: -0.001 local terms energy: -66.828227 where: bonds (distance) C4'-P energy: -16.107 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -16.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -192.448400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.448400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.448400 (E_RNA) where: Base-Base interactions energy: -128.700 where: short stacking energy: -54.680 Base-Backbone interact. energy: -0.276 local terms energy: -63.472246 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -11.724 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -74.755184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.755184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.755184 (E_RNA) where: Base-Base interactions energy: -25.584 where: short stacking energy: -21.728 Base-Backbone interact. energy: -0.269 local terms energy: -48.901705 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: 1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -82.186354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.186354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.186354 (E_RNA) where: Base-Base interactions energy: -39.070 where: short stacking energy: -27.192 Base-Backbone interact. energy: 0.753 local terms energy: -43.869320 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -12.679 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -71.225475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.225475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.225475 (E_RNA) where: Base-Base interactions energy: -22.891 where: short stacking energy: -22.711 Base-Backbone interact. energy: -1.413 local terms energy: -46.921257 where: bonds (distance) C4'-P energy: -11.545 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: 2.247 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: 365 Temperature: 0.900000 Total energy: -223.912557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.912557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.912557 (E_RNA) where: Base-Base interactions energy: -148.152 where: short stacking energy: -67.258 Base-Backbone interact. energy: -0.224 local terms energy: -75.537098 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -16.881 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -22.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -214.689327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.689327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.689327 (E_RNA) where: Base-Base interactions energy: -139.243 where: short stacking energy: -68.420 Base-Backbone interact. energy: -0.004 local terms energy: -75.442687 where: bonds (distance) C4'-P energy: -12.471 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -11.699 tors. eta vs tors. theta energy: -21.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -213.738504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.738504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.738504 (E_RNA) where: Base-Base interactions energy: -135.793 where: short stacking energy: -62.909 Base-Backbone interact. energy: -0.631 local terms energy: -77.314965 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -22.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -206.424251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.424251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.424251 (E_RNA) where: Base-Base interactions energy: -129.355 where: short stacking energy: -58.950 Base-Backbone interact. energy: -0.006 local terms energy: -77.063477 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -16.245 flat angles P-C4'-P energy: -13.710 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -199.904573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.904573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.904573 (E_RNA) where: Base-Base interactions energy: -123.145 where: short stacking energy: -58.965 Base-Backbone interact. energy: -2.087 local terms energy: -74.672515 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -20.438 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: 365 Temperature: 1.150000 Total energy: -192.788285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.788285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.788285 (E_RNA) where: Base-Base interactions energy: -124.517 where: short stacking energy: -53.658 Base-Backbone interact. energy: -0.044 local terms energy: -68.227195 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -14.745 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: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -194.323238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.323238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.323238 (E_RNA) where: Base-Base interactions energy: -128.686 where: short stacking energy: -44.917 Base-Backbone interact. energy: -0.591 local terms energy: -65.045847 where: bonds (distance) C4'-P energy: -15.756 bonds (distance) P-C4' energy: -10.995 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -12.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -82.114759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.114759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.114759 (E_RNA) where: Base-Base interactions energy: -30.015 where: short stacking energy: -17.858 Base-Backbone interact. energy: -0.271 local terms energy: -51.828909 where: bonds (distance) C4'-P energy: -16.057 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -72.054851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.054851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.054851 (E_RNA) where: Base-Base interactions energy: -21.891 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.400 local terms energy: -49.762999 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -6.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -69.344546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.344546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.344546 (E_RNA) where: Base-Base interactions energy: -20.727 where: short stacking energy: -20.727 Base-Backbone interact. energy: -1.323 local terms energy: -47.294374 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -8.013 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -217.561016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.561016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.561016 (E_RNA) where: Base-Base interactions energy: -145.092 where: short stacking energy: -64.373 Base-Backbone interact. energy: -0.156 local terms energy: -72.313542 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -17.797 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -17.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -215.641171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.641171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.641171 (E_RNA) where: Base-Base interactions energy: -144.393 where: short stacking energy: -65.503 Base-Backbone interact. energy: 0.187 local terms energy: -71.435828 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -12.416 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -210.172160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.172160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.172160 (E_RNA) where: Base-Base interactions energy: -134.615 where: short stacking energy: -60.268 Base-Backbone interact. energy: -0.024 local terms energy: -75.533242 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -16.976 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -10.623 tors. eta vs tors. theta energy: -18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -203.228909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.228909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.228909 (E_RNA) where: Base-Base interactions energy: -137.427 where: short stacking energy: -57.555 Base-Backbone interact. energy: -0.417 local terms energy: -65.384748 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -14.220 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: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -205.212665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.212665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.212665 (E_RNA) where: Base-Base interactions energy: -134.386 where: short stacking energy: -53.228 Base-Backbone interact. energy: -0.029 local terms energy: -70.797351 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -16.407 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -16.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -195.312302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.312302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.312302 (E_RNA) where: Base-Base interactions energy: -130.653 where: short stacking energy: -57.100 Base-Backbone interact. energy: -0.418 local terms energy: -64.241272 where: bonds (distance) C4'-P energy: -11.045 bonds (distance) P-C4' energy: -16.896 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -15.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -197.257067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.257067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.257067 (E_RNA) where: Base-Base interactions energy: -132.930 where: short stacking energy: -61.396 Base-Backbone interact. energy: -0.239 local terms energy: -64.088557 where: bonds (distance) C4'-P energy: -13.436 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -11.428 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: -17.016 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: 6 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -89.797236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.797236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.797236 (E_RNA) where: Base-Base interactions energy: -35.731 where: short stacking energy: -35.731 Base-Backbone interact. energy: -0.121 local terms energy: -53.945627 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -12.256 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -6.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -82.958363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.958363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.958363 (E_RNA) where: Base-Base interactions energy: -37.912 where: short stacking energy: -27.248 Base-Backbone interact. energy: -0.240 local terms energy: -44.806766 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -3.832 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: 4 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -68.947242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.947242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.947242 (E_RNA) where: Base-Base interactions energy: -29.865 where: short stacking energy: -20.230 Base-Backbone interact. energy: 1.882 local terms energy: -40.963776 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -16.973 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: 2.061 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: 7 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -209.018837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.018837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.018837 (E_RNA) where: Base-Base interactions energy: -135.643 where: short stacking energy: -65.775 Base-Backbone interact. energy: -0.002 local terms energy: -73.373533 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -15.325 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -16.300 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: 3 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -220.945966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.945966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.945966 (E_RNA) where: Base-Base interactions energy: -142.454 where: short stacking energy: -63.383 Base-Backbone interact. energy: -0.300 local terms energy: -78.192525 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -15.689 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -20.376 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: 1 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -213.735738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.735738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.735738 (E_RNA) where: Base-Base interactions energy: -142.681 where: short stacking energy: -68.104 Base-Backbone interact. energy: -0.050 local terms energy: -71.004840 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -17.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -204.475603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.475603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.475603 (E_RNA) where: Base-Base interactions energy: -140.158 where: short stacking energy: -59.792 Base-Backbone interact. energy: -0.197 local terms energy: -64.120412 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -12.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -206.759623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.759623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.759623 (E_RNA) where: Base-Base interactions energy: -134.771 where: short stacking energy: -61.744 Base-Backbone interact. energy: 0.685 local terms energy: -72.673069 where: bonds (distance) C4'-P energy: -14.952 bonds (distance) P-C4' energy: -12.776 flat angles C4'-P-C4' energy: -17.048 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -205.402544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.402544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.402544 (E_RNA) where: Base-Base interactions energy: -141.245 where: short stacking energy: -54.931 Base-Backbone interact. energy: -0.185 local terms energy: -63.972872 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -15.322 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -12.132 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: 5 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -190.967148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.967148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.967148 (E_RNA) where: Base-Base interactions energy: -126.113 where: short stacking energy: -59.368 Base-Backbone interact. energy: -0.382 local terms energy: -64.471397 where: bonds (distance) C4'-P energy: -13.346 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -94.857565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.857565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.857565 (E_RNA) where: Base-Base interactions energy: -62.672 where: short stacking energy: -20.974 Base-Backbone interact. energy: -0.237 local terms energy: -31.948486 where: bonds (distance) C4'-P energy: -10.378 bonds (distance) P-C4' energy: -9.566 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: 3.876 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: 9, replica: 6 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -78.781455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.781455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.781455 (E_RNA) where: Base-Base interactions energy: -30.941 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.184 local terms energy: -47.656655 where: bonds (distance) C4'-P energy: -15.626 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: 1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -71.168573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.168573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.168573 (E_RNA) where: Base-Base interactions energy: -27.163 where: short stacking energy: -26.497 Base-Backbone interact. energy: -0.212 local terms energy: -43.793187 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -11.262 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -0.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -223.241489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.241489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.241489 (E_RNA) where: Base-Base interactions energy: -148.968 where: short stacking energy: -62.275 Base-Backbone interact. energy: -0.175 local terms energy: -74.098354 where: bonds (distance) C4'-P energy: -17.478 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -18.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -209.358454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.358454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.358454 (E_RNA) where: Base-Base interactions energy: -141.454 where: short stacking energy: -51.677 Base-Backbone interact. energy: -0.123 local terms energy: -67.781241 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -10.510 tors. eta vs tors. theta energy: -12.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -203.495597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.495597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.495597 (E_RNA) where: Base-Base interactions energy: -130.077 where: short stacking energy: -61.852 Base-Backbone interact. energy: -0.682 local terms energy: -72.737126 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -16.773 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -18.916 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: 1 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -216.756480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.756480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.756480 (E_RNA) where: Base-Base interactions energy: -139.997 where: short stacking energy: -69.156 Base-Backbone interact. energy: -0.922 local terms energy: -75.837359 where: bonds (distance) C4'-P energy: -12.352 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -22.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -213.651199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.651199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.651199 (E_RNA) where: Base-Base interactions energy: -148.080 where: short stacking energy: -57.896 Base-Backbone interact. energy: -0.100 local terms energy: -65.471471 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -6.637 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: 6, replica: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -199.244657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.244657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.244657 (E_RNA) where: Base-Base interactions energy: -133.367 where: short stacking energy: -59.695 Base-Backbone interact. energy: -0.001 local terms energy: -65.876169 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -133.794655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.794655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.794655 (E_RNA) where: Base-Base interactions energy: -87.971 where: short stacking energy: -32.089 Base-Backbone interact. energy: -0.804 local terms energy: -45.018731 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -9.953 flat angles C4'-P-C4' energy: -11.311 flat angles P-C4'-P energy: -10.816 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -189.403723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.403723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.403723 (E_RNA) where: Base-Base interactions energy: -126.056 where: short stacking energy: -48.565 Base-Backbone interact. energy: -0.143 local terms energy: -63.204662 where: bonds (distance) C4'-P energy: -9.943 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: -14.421 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: 4 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -81.805696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.805696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.805696 (E_RNA) where: Base-Base interactions energy: -30.964 where: short stacking energy: -30.964 Base-Backbone interact. energy: -0.152 local terms energy: -50.689431 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -2.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -108.661730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.661730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.661730 (E_RNA) where: Base-Base interactions energy: -67.957 where: short stacking energy: -35.768 Base-Backbone interact. energy: -0.102 local terms energy: -40.602371 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -7.741 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -217.202004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.202004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.202004 (E_RNA) where: Base-Base interactions energy: -139.865 where: short stacking energy: -61.946 Base-Backbone interact. energy: -1.669 local terms energy: -75.668053 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -16.871 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -20.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -212.607630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.607630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.607630 (E_RNA) where: Base-Base interactions energy: -137.666 where: short stacking energy: -61.507 Base-Backbone interact. energy: -0.080 local terms energy: -74.862389 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -16.203 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -20.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -217.001836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.001836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.001836 (E_RNA) where: Base-Base interactions energy: -156.318 where: short stacking energy: -53.315 Base-Backbone interact. energy: 0.610 local terms energy: -61.293570 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -12.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -205.481178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.481178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.481178 (E_RNA) where: Base-Base interactions energy: -137.398 where: short stacking energy: -55.836 Base-Backbone interact. energy: -0.319 local terms energy: -67.763536 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -10.438 flat angles P-C4'-P energy: -13.440 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -197.003336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.003336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.003336 (E_RNA) where: Base-Base interactions energy: -132.598 where: short stacking energy: -48.471 Base-Backbone interact. energy: -0.019 local terms energy: -64.386146 where: bonds (distance) C4'-P energy: -16.642 bonds (distance) P-C4' energy: -8.917 flat angles C4'-P-C4' energy: -13.983 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -13.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -185.393639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.393639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.393639 (E_RNA) where: Base-Base interactions energy: -117.707 where: short stacking energy: -49.341 Base-Backbone interact. energy: -0.177 local terms energy: -67.508930 where: bonds (distance) C4'-P energy: -17.068 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -13.259 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: 8 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -142.603683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.603683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.603683 (E_RNA) where: Base-Base interactions energy: -86.894 where: short stacking energy: -39.211 Base-Backbone interact. energy: -0.237 local terms energy: -55.472480 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -15.885 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -11.137 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: 5 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -187.864664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.864664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.864664 (E_RNA) where: Base-Base interactions energy: -129.005 where: short stacking energy: -58.615 Base-Backbone interact. energy: -0.006 local terms energy: -58.853587 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -14.404 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -14.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -84.789929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.789929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.789929 (E_RNA) where: Base-Base interactions energy: -49.254 where: short stacking energy: -34.352 Base-Backbone interact. energy: -0.179 local terms energy: -35.357760 where: bonds (distance) C4'-P energy: -8.664 bonds (distance) P-C4' energy: -14.297 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -68.752301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.752301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.752301 (E_RNA) where: Base-Base interactions energy: -21.831 where: short stacking energy: -19.846 Base-Backbone interact. energy: 0.411 local terms energy: -47.332127 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -15.335 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: 2.825 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: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -218.436116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.436116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.436116 (E_RNA) where: Base-Base interactions energy: -150.196 where: short stacking energy: -56.271 Base-Backbone interact. energy: -0.321 local terms energy: -67.919131 where: bonds (distance) C4'-P energy: -15.345 bonds (distance) P-C4' energy: -12.916 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -15.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -215.257070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.257070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.257070 (E_RNA) where: Base-Base interactions energy: -144.934 where: short stacking energy: -64.952 Base-Backbone interact. energy: -0.004 local terms energy: -70.319519 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -19.102 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: 10 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -215.562017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.562017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.562017 (E_RNA) where: Base-Base interactions energy: -140.770 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.740 local terms energy: -74.052303 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -13.412 tors. eta vs tors. theta energy: -16.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -208.025485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.025485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.025485 (E_RNA) where: Base-Base interactions energy: -142.942 where: short stacking energy: -56.190 Base-Backbone interact. energy: -0.184 local terms energy: -64.899157 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -11.323 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -19.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -200.617311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.617311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.617311 (E_RNA) where: Base-Base interactions energy: -137.853 where: short stacking energy: -60.162 Base-Backbone interact. energy: -0.001 local terms energy: -62.763105 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -17.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -192.691192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.691192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.691192 (E_RNA) where: Base-Base interactions energy: -140.915 where: short stacking energy: -62.269 Base-Backbone interact. energy: -0.176 local terms energy: -51.599258 where: bonds (distance) C4'-P energy: -12.178 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -9.895 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -14.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -184.392656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.392656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.392656 (E_RNA) where: Base-Base interactions energy: -116.186 where: short stacking energy: -46.384 Base-Backbone interact. energy: -0.561 local terms energy: -67.646079 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -12.701 flat angles C4'-P-C4' energy: -16.224 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -124.612756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.612756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.612756 (E_RNA) where: Base-Base interactions energy: -66.716 where: short stacking energy: -35.869 Base-Backbone interact. energy: -0.204 local terms energy: -57.692673 where: bonds (distance) C4'-P energy: -9.376 bonds (distance) P-C4' energy: -13.791 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -8.935 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: 6 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -66.207396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.207396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.207396 (E_RNA) where: Base-Base interactions energy: -25.454 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.256 local terms energy: -40.497137 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -10.859 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -8.644 tors. eta vs tors. theta energy: -0.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -76.415592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.415592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.415592 (E_RNA) where: Base-Base interactions energy: -24.314 where: short stacking energy: -24.714 Base-Backbone interact. energy: 0.743 local terms energy: -52.844727 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -14.692 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -9.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -226.136847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.136847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.136847 (E_RNA) where: Base-Base interactions energy: -152.404 where: short stacking energy: -55.432 Base-Backbone interact. energy: -0.477 local terms energy: -73.255437 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -16.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -216.494768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.494768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.494768 (E_RNA) where: Base-Base interactions energy: -144.873 where: short stacking energy: -67.029 Base-Backbone interact. energy: -0.012 local terms energy: -71.609699 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -16.884 flat angles P-C4'-P energy: -12.120 tors. eta vs tors. theta energy: -15.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -225.716304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.716304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.716304 (E_RNA) where: Base-Base interactions energy: -151.286 where: short stacking energy: -68.797 Base-Backbone interact. energy: -2.193 local terms energy: -72.237723 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -13.153 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -11.584 tors. eta vs tors. theta energy: -19.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -213.661693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.661693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.661693 (E_RNA) where: Base-Base interactions energy: -137.128 where: short stacking energy: -61.799 Base-Backbone interact. energy: -0.036 local terms energy: -76.497893 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -17.106 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -20.148 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: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -200.326569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.326569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.326569 (E_RNA) where: Base-Base interactions energy: -131.378 where: short stacking energy: -62.434 Base-Backbone interact. energy: -0.062 local terms energy: -68.887020 where: bonds (distance) C4'-P energy: -12.832 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -19.095 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: 371 Temperature: 1.150000 Total energy: -188.738592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.738592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.738592 (E_RNA) where: Base-Base interactions energy: -121.735 where: short stacking energy: -54.978 Base-Backbone interact. energy: -0.009 local terms energy: -66.994189 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -10.477 flat angles C4'-P-C4' energy: -17.932 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -17.019 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: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -188.167408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.167408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.167408 (E_RNA) where: Base-Base interactions energy: -125.170 where: short stacking energy: -58.392 Base-Backbone interact. energy: -0.280 local terms energy: -62.716774 where: bonds (distance) C4'-P energy: -15.197 bonds (distance) P-C4' energy: -16.585 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -11.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -135.534103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.534103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.534103 (E_RNA) where: Base-Base interactions energy: -79.859 where: short stacking energy: -42.917 Base-Backbone interact. energy: -0.118 local terms energy: -55.556446 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -9.867 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: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -72.720955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.720955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.720955 (E_RNA) where: Base-Base interactions energy: -29.329 where: short stacking energy: -24.790 Base-Backbone interact. energy: -0.161 local terms energy: -43.231255 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -5.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -80.050101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.050101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.050101 (E_RNA) where: Base-Base interactions energy: -30.690 where: short stacking energy: -22.278 Base-Backbone interact. energy: 2.199 local terms energy: -51.558780 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: 1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -219.263560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.263560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.263560 (E_RNA) where: Base-Base interactions energy: -144.974 where: short stacking energy: -72.628 Base-Backbone interact. energy: 1.994 local terms energy: -76.282830 where: bonds (distance) C4'-P energy: -12.956 bonds (distance) P-C4' energy: -15.695 flat angles C4'-P-C4' energy: -16.753 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -20.265 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: 372 Temperature: 0.950000 Total energy: -219.019905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.019905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.019905 (E_RNA) where: Base-Base interactions energy: -147.987 where: short stacking energy: -56.492 Base-Backbone interact. energy: -0.303 local terms energy: -70.729615 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -16.999 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -218.984754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.984754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.984754 (E_RNA) where: Base-Base interactions energy: -150.280 where: short stacking energy: -70.903 Base-Backbone interact. energy: -0.211 local terms energy: -68.493858 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -19.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -209.860525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.860525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.860525 (E_RNA) where: Base-Base interactions energy: -135.054 where: short stacking energy: -64.394 Base-Backbone interact. energy: -0.823 local terms energy: -73.983115 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -16.142 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -14.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -212.124933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.124933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.124933 (E_RNA) where: Base-Base interactions energy: -140.866 where: short stacking energy: -64.763 Base-Backbone interact. energy: 2.285 local terms energy: -73.543445 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -14.204 flat angles C4'-P-C4' energy: -11.685 flat angles P-C4'-P energy: -12.840 tors. eta vs tors. theta energy: -21.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -197.809365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.809365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.809365 (E_RNA) where: Base-Base interactions energy: -131.301 where: short stacking energy: -44.718 Base-Backbone interact. energy: -0.087 local terms energy: -66.421864 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -11.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -184.938079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.938079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.938079 (E_RNA) where: Base-Base interactions energy: -120.742 where: short stacking energy: -54.068 Base-Backbone interact. energy: -0.023 local terms energy: -64.173121 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -15.854 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.816 tors. eta vs tors. theta energy: -15.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -86.100360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.100360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.100360 (E_RNA) where: Base-Base interactions energy: -32.803 where: short stacking energy: -29.190 Base-Backbone interact. energy: -0.017 local terms energy: -53.280114 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -7.243 tors. eta vs tors. theta energy: -5.360 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: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -79.548572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.548572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.548572 (E_RNA) where: Base-Base interactions energy: -33.619 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.039 local terms energy: -45.890284 where: bonds (distance) C4'-P energy: -10.160 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -5.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -73.601167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.601167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.601167 (E_RNA) where: Base-Base interactions energy: -34.404 where: short stacking energy: -19.180 Base-Backbone interact. energy: -0.680 local terms energy: -38.516899 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -14.116 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: 1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -217.439288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.439288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.439288 (E_RNA) where: Base-Base interactions energy: -144.167 where: short stacking energy: -58.238 Base-Backbone interact. energy: 0.669 local terms energy: -73.941239 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -12.303 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -214.861656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.861656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.861656 (E_RNA) where: Base-Base interactions energy: -143.662 where: short stacking energy: -58.488 Base-Backbone interact. energy: -0.108 local terms energy: -71.091905 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -13.119 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -16.644 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: 373 Temperature: 1.000000 Total energy: -212.652007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.652007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.652007 (E_RNA) where: Base-Base interactions energy: -140.619 where: short stacking energy: -53.697 Base-Backbone interact. energy: -0.405 local terms energy: -71.628041 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -14.723 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: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -202.512373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.512373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.512373 (E_RNA) where: Base-Base interactions energy: -130.728 where: short stacking energy: -53.628 Base-Backbone interact. energy: -0.148 local terms energy: -71.636300 where: bonds (distance) C4'-P energy: -15.745 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -13.835 flat angles P-C4'-P energy: -10.270 tors. eta vs tors. theta energy: -15.994 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: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -197.936465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.936465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.936465 (E_RNA) where: Base-Base interactions energy: -133.986 where: short stacking energy: -54.772 Base-Backbone interact. energy: -0.000 local terms energy: -63.950131 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -202.843905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.843905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.843905 (E_RNA) where: Base-Base interactions energy: -138.609 where: short stacking energy: -50.941 Base-Backbone interact. energy: -0.777 local terms energy: -63.458264 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -14.510 flat angles C4'-P-C4' energy: -17.162 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -11.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -189.497494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.497494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.497494 (E_RNA) where: Base-Base interactions energy: -122.421 where: short stacking energy: -47.905 Base-Backbone interact. energy: -0.102 local terms energy: -66.974973 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -13.655 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -14.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -81.279708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.279708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.279708 (E_RNA) where: Base-Base interactions energy: -34.603 where: short stacking energy: -32.766 Base-Backbone interact. energy: -0.455 local terms energy: -46.221792 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -15.140 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -7.387 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -74.178632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.178632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.178632 (E_RNA) where: Base-Base interactions energy: -30.130 where: short stacking energy: -24.869 Base-Backbone interact. energy: -0.123 local terms energy: -43.925382 where: bonds (distance) C4'-P energy: -11.247 bonds (distance) P-C4' energy: -10.914 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: 0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -72.911152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.911152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.911152 (E_RNA) where: Base-Base interactions energy: -28.715 where: short stacking energy: -24.971 Base-Backbone interact. energy: -0.764 local terms energy: -43.431955 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -3.681 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: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -225.470215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.470215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.470215 (E_RNA) where: Base-Base interactions energy: -151.525 where: short stacking energy: -66.861 Base-Backbone interact. energy: -1.423 local terms energy: -72.522600 where: bonds (distance) C4'-P energy: -16.174 bonds (distance) P-C4' energy: -9.506 flat angles C4'-P-C4' energy: -16.418 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -21.177 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: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -214.240366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.240366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.240366 (E_RNA) where: Base-Base interactions energy: -142.324 where: short stacking energy: -60.209 Base-Backbone interact. energy: -0.035 local terms energy: -71.881416 where: bonds (distance) C4'-P energy: -14.981 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -19.806 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: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -210.640298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.640298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.640298 (E_RNA) where: Base-Base interactions energy: -147.386 where: short stacking energy: -53.088 Base-Backbone interact. energy: 0.203 local terms energy: -63.457233 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -12.214 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: 4, replica: 9 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -221.274061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.274061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.274061 (E_RNA) where: Base-Base interactions energy: -152.717 where: short stacking energy: -50.569 Base-Backbone interact. energy: -0.778 local terms energy: -67.779134 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -14.094 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: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -207.507346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.507346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.507346 (E_RNA) where: Base-Base interactions energy: -140.864 where: short stacking energy: -61.181 Base-Backbone interact. energy: -0.003 local terms energy: -66.640087 where: bonds (distance) C4'-P energy: -8.416 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -11.541 tors. eta vs tors. theta energy: -18.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -181.364463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.364463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.364463 (E_RNA) where: Base-Base interactions energy: -126.235 where: short stacking energy: -54.813 Base-Backbone interact. energy: 0.771 local terms energy: -55.900762 where: bonds (distance) C4'-P energy: -9.162 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -12.000 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -9.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -194.091600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.091600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.091600 (E_RNA) where: Base-Base interactions energy: -125.945 where: short stacking energy: -52.461 Base-Backbone interact. energy: -0.003 local terms energy: -68.143889 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -16.823 flat angles P-C4'-P energy: -14.060 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -82.884390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.884390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.884390 (E_RNA) where: Base-Base interactions energy: -32.775 where: short stacking energy: -18.655 Base-Backbone interact. energy: -0.714 local terms energy: -49.395592 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -9.592 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -1.617 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: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -82.190446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.190446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.190446 (E_RNA) where: Base-Base interactions energy: -38.764 where: short stacking energy: -18.243 Base-Backbone interact. energy: -0.102 local terms energy: -43.324499 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -11.427 flat angles P-C4'-P energy: -1.720 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -72.924087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.924087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.924087 (E_RNA) where: Base-Base interactions energy: -21.417 where: short stacking energy: -21.838 Base-Backbone interact. energy: -0.205 local terms energy: -51.302378 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -12.461 flat angles P-C4'-P energy: -7.816 tors. eta vs tors. theta energy: -3.602 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: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -225.383697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.383697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.383697 (E_RNA) where: Base-Base interactions energy: -147.706 where: short stacking energy: -66.754 Base-Backbone interact. energy: -1.846 local terms energy: -75.831097 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -16.200 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -12.796 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: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -219.787048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.787048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.787048 (E_RNA) where: Base-Base interactions energy: -140.130 where: short stacking energy: -69.519 Base-Backbone interact. energy: -2.437 local terms energy: -77.220038 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -15.597 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -22.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -212.802287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.802287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.802287 (E_RNA) where: Base-Base interactions energy: -140.242 where: short stacking energy: -64.651 Base-Backbone interact. energy: -0.059 local terms energy: -72.501920 where: bonds (distance) C4'-P energy: -12.877 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -16.105 flat angles P-C4'-P energy: -7.757 tors. eta vs tors. theta energy: -18.668 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: 9 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -196.538845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.538845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.538845 (E_RNA) where: Base-Base interactions energy: -123.572 where: short stacking energy: -54.305 Base-Backbone interact. energy: -0.140 local terms energy: -72.827263 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -15.956 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -16.623 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: 375 Temperature: 1.100000 Total energy: -204.745685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.745685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.745685 (E_RNA) where: Base-Base interactions energy: -141.378 where: short stacking energy: -53.486 Base-Backbone interact. energy: -0.222 local terms energy: -63.145062 where: bonds (distance) C4'-P energy: -14.401 bonds (distance) P-C4' energy: -15.077 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -12.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -200.522820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.522820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.522820 (E_RNA) where: Base-Base interactions energy: -134.024 where: short stacking energy: -50.869 Base-Backbone interact. energy: -1.962 local terms energy: -64.536945 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -10.996 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -13.443 tors. eta vs tors. theta energy: -15.360 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: 3 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -194.755056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.755056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.755056 (E_RNA) where: Base-Base interactions energy: -125.938 where: short stacking energy: -57.608 Base-Backbone interact. energy: -0.000 local terms energy: -68.816104 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -15.907 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -15.850 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: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -69.080239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.080239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.080239 (E_RNA) where: Base-Base interactions energy: -24.444 where: short stacking energy: -16.397 Base-Backbone interact. energy: -0.368 local terms energy: -44.268624 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -1.302 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: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -88.139531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.139531 (E_RNA) where: Base-Base interactions energy: -37.199 where: short stacking energy: -29.327 Base-Backbone interact. energy: -1.410 local terms energy: -49.530158 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -10.892 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -9.833 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -81.896292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.896292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.896292 (E_RNA) where: Base-Base interactions energy: -37.738 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.309 local terms energy: -43.849482 where: bonds (distance) C4'-P energy: -11.760 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -0.552 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -229.754758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.754758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.754758 (E_RNA) where: Base-Base interactions energy: -154.369 where: short stacking energy: -66.196 Base-Backbone interact. energy: -0.318 local terms energy: -75.067509 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -17.104 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -18.080 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: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -229.716198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.716198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.716198 (E_RNA) where: Base-Base interactions energy: -151.921 where: short stacking energy: -70.064 Base-Backbone interact. energy: -1.993 local terms energy: -75.801820 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -19.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -202.817135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.817135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.817135 (E_RNA) where: Base-Base interactions energy: -130.067 where: short stacking energy: -55.313 Base-Backbone interact. energy: -0.145 local terms energy: -72.604943 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -15.360 flat angles C4'-P-C4' energy: -16.877 flat angles P-C4'-P energy: -11.929 tors. eta vs tors. theta energy: -14.851 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: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -205.751996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.751996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.751996 (E_RNA) where: Base-Base interactions energy: -133.966 where: short stacking energy: -59.239 Base-Backbone interact. energy: -0.358 local terms energy: -71.427032 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -11.949 tors. eta vs tors. theta energy: -19.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -201.437313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.437313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.437313 (E_RNA) where: Base-Base interactions energy: -131.153 where: short stacking energy: -60.865 Base-Backbone interact. energy: -0.014 local terms energy: -70.270432 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -198.443353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.443353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.443353 (E_RNA) where: Base-Base interactions energy: -131.909 where: short stacking energy: -59.908 Base-Backbone interact. energy: -0.054 local terms energy: -66.479638 where: bonds (distance) C4'-P energy: -16.414 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -8.720 tors. eta vs tors. theta energy: -14.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -184.295227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.295227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.295227 (E_RNA) where: Base-Base interactions energy: -122.981 where: short stacking energy: -54.955 Base-Backbone interact. energy: -0.031 local terms energy: -61.283315 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -12.423 flat angles P-C4'-P energy: -8.813 tors. eta vs tors. theta energy: -14.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -82.802786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.802786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.802786 (E_RNA) where: Base-Base interactions energy: -36.119 where: short stacking energy: -35.864 Base-Backbone interact. energy: -0.033 local terms energy: -46.650337 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -8.943 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -5.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -73.089244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.089244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.089244 (E_RNA) where: Base-Base interactions energy: -27.317 where: short stacking energy: -23.475 Base-Backbone interact. energy: 0.141 local terms energy: -45.913209 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -3.250 tors. eta vs tors. theta energy: -3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -69.449485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.449485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.449485 (E_RNA) where: Base-Base interactions energy: -29.111 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.116 local terms energy: -40.223138 where: bonds (distance) C4'-P energy: -9.579 bonds (distance) P-C4' energy: -14.421 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: 0.264 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: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -227.520603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.520603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.520603 (E_RNA) where: Base-Base interactions energy: -152.983 where: short stacking energy: -70.358 Base-Backbone interact. energy: -0.012 local terms energy: -74.525720 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -13.742 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -12.637 tors. eta vs tors. theta energy: -21.589 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: 2, replica: 9 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -207.599754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.599754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.599754 (E_RNA) where: Base-Base interactions energy: -145.054 where: short stacking energy: -57.604 Base-Backbone interact. energy: -0.152 local terms energy: -62.393296 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -14.631 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -214.302130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.302130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.302130 (E_RNA) where: Base-Base interactions energy: -137.553 where: short stacking energy: -64.460 Base-Backbone interact. energy: -0.003 local terms energy: -76.745515 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -16.160 flat angles P-C4'-P energy: -13.190 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: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -207.604994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.604994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.604994 (E_RNA) where: Base-Base interactions energy: -134.280 where: short stacking energy: -58.872 Base-Backbone interact. energy: -0.031 local terms energy: -73.294120 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -16.628 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -18.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -208.337658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.337658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.337658 (E_RNA) where: Base-Base interactions energy: -135.103 where: short stacking energy: -56.615 Base-Backbone interact. energy: -0.086 local terms energy: -73.148627 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -21.303 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: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -194.757817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.757817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.757817 (E_RNA) where: Base-Base interactions energy: -123.073 where: short stacking energy: -61.628 Base-Backbone interact. energy: -0.002 local terms energy: -71.683525 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -12.512 tors. eta vs tors. theta energy: -18.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -191.103790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.103790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.103790 (E_RNA) where: Base-Base interactions energy: -118.362 where: short stacking energy: -50.534 Base-Backbone interact. energy: -0.108 local terms energy: -72.633901 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -9.877 tors. eta vs tors. theta energy: -20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -83.648522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.648522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.648522 (E_RNA) where: Base-Base interactions energy: -35.618 where: short stacking energy: -33.054 Base-Backbone interact. energy: -0.022 local terms energy: -48.008363 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -10.682 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -89.079609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.079609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.079609 (E_RNA) where: Base-Base interactions energy: -42.234 where: short stacking energy: -34.123 Base-Backbone interact. energy: 0.222 local terms energy: -47.067978 where: bonds (distance) C4'-P energy: -9.653 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -2.592 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: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -73.656561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.656561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.656561 (E_RNA) where: Base-Base interactions energy: -29.360 where: short stacking energy: -28.688 Base-Backbone interact. energy: 0.129 local terms energy: -44.425400 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -9.245 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -6.017 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: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -211.774450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.774450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.774450 (E_RNA) where: Base-Base interactions energy: -141.324 where: short stacking energy: -62.068 Base-Backbone interact. energy: -0.103 local terms energy: -70.347055 where: bonds (distance) C4'-P energy: -14.633 bonds (distance) P-C4' energy: -10.640 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -13.034 tors. eta vs tors. theta energy: -16.414 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: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -227.209887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.209887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.209887 (E_RNA) where: Base-Base interactions energy: -143.723 where: short stacking energy: -68.777 Base-Backbone interact. energy: -0.590 local terms energy: -82.897086 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -18.486 flat angles C4'-P-C4' energy: -15.915 flat angles P-C4'-P energy: -11.909 tors. eta vs tors. theta energy: -22.132 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: 10 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -217.225367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.225367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.225367 (E_RNA) where: Base-Base interactions energy: -143.677 where: short stacking energy: -68.156 Base-Backbone interact. energy: -0.645 local terms energy: -72.904048 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -18.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -216.426191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.426191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.426191 (E_RNA) where: Base-Base interactions energy: -146.717 where: short stacking energy: -62.795 Base-Backbone interact. energy: 0.388 local terms energy: -70.097133 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -17.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -195.796444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.796444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.796444 (E_RNA) where: Base-Base interactions energy: -128.371 where: short stacking energy: -58.510 Base-Backbone interact. energy: -0.001 local terms energy: -67.424242 where: bonds (distance) C4'-P energy: -12.713 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -15.946 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -17.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -196.752771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.752771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.752771 (E_RNA) where: Base-Base interactions energy: -126.052 where: short stacking energy: -52.014 Base-Backbone interact. energy: -0.007 local terms energy: -70.693224 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -17.759 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -13.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -177.190691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.190691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.190691 (E_RNA) where: Base-Base interactions energy: -125.419 where: short stacking energy: -55.645 Base-Backbone interact. energy: -0.442 local terms energy: -51.329450 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -9.735 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -13.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -79.417250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.417250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.417250 (E_RNA) where: Base-Base interactions energy: -26.531 where: short stacking energy: -26.531 Base-Backbone interact. energy: -0.275 local terms energy: -52.610956 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -88.137029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.137029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.137029 (E_RNA) where: Base-Base interactions energy: -36.198 where: short stacking energy: -33.121 Base-Backbone interact. energy: -0.114 local terms energy: -51.825326 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -7.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -68.178472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.178472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.178472 (E_RNA) where: Base-Base interactions energy: -35.243 where: short stacking energy: -18.803 Base-Backbone interact. energy: -0.546 local terms energy: -32.389109 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -14.699 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: 2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -226.085841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.085841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.085841 (E_RNA) where: Base-Base interactions energy: -148.243 where: short stacking energy: -62.513 Base-Backbone interact. energy: -2.463 local terms energy: -75.379296 where: bonds (distance) C4'-P energy: -15.830 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -13.510 tors. eta vs tors. theta energy: -17.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -205.268292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.268292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.268292 (E_RNA) where: Base-Base interactions energy: -139.257 where: short stacking energy: -56.971 Base-Backbone interact. energy: -0.134 local terms energy: -65.876847 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -15.439 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -15.626 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: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -215.098048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.098048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.098048 (E_RNA) where: Base-Base interactions energy: -134.359 where: short stacking energy: -65.420 Base-Backbone interact. energy: -0.816 local terms energy: -79.922642 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -15.058 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -21.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -200.604133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.604133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.604133 (E_RNA) where: Base-Base interactions energy: -134.222 where: short stacking energy: -60.852 Base-Backbone interact. energy: -0.151 local terms energy: -66.231021 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -14.855 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: 2 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -205.107530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.107530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.107530 (E_RNA) where: Base-Base interactions energy: -140.824 where: short stacking energy: -61.414 Base-Backbone interact. energy: -0.029 local terms energy: -64.254689 where: bonds (distance) C4'-P energy: -13.416 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -17.416 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -18.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -179.847591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.847591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.847591 (E_RNA) where: Base-Base interactions energy: -121.034 where: short stacking energy: -59.322 Base-Backbone interact. energy: 0.167 local terms energy: -58.980970 where: bonds (distance) C4'-P energy: -11.549 bonds (distance) P-C4' energy: -13.347 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -13.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -196.464923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.464923 (E_RNA) where: Base-Base interactions energy: -128.837 where: short stacking energy: -55.509 Base-Backbone interact. energy: -0.087 local terms energy: -67.540544 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -14.196 tors. eta vs tors. theta energy: -16.259 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: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -75.156808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.156808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.156808 (E_RNA) where: Base-Base interactions energy: -24.010 where: short stacking energy: -23.140 Base-Backbone interact. energy: -0.232 local terms energy: -50.914631 where: bonds (distance) C4'-P energy: -9.985 bonds (distance) P-C4' energy: -13.199 flat angles C4'-P-C4' energy: -14.404 flat angles P-C4'-P energy: -9.936 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -73.669350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.669350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.669350 (E_RNA) where: Base-Base interactions energy: -24.483 where: short stacking energy: -16.104 Base-Backbone interact. energy: -0.898 local terms energy: -48.287985 where: bonds (distance) C4'-P energy: -15.781 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: 2.516 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: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -75.457014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.457014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.457014 (E_RNA) where: Base-Base interactions energy: -24.398 where: short stacking energy: -20.494 Base-Backbone interact. energy: -1.019 local terms energy: -50.039768 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -9.232 tors. eta vs tors. theta energy: 1.925 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: 10 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -211.133879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.133879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.133879 (E_RNA) where: Base-Base interactions energy: -138.387 where: short stacking energy: -59.265 Base-Backbone interact. energy: -0.072 local terms energy: -72.675216 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -12.465 tors. eta vs tors. theta energy: -17.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -213.853695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.853695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.853695 (E_RNA) where: Base-Base interactions energy: -137.247 where: short stacking energy: -68.640 Base-Backbone interact. energy: -0.021 local terms energy: -76.585576 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -18.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -217.976321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.976321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.976321 (E_RNA) where: Base-Base interactions energy: -146.454 where: short stacking energy: -69.804 Base-Backbone interact. energy: -2.558 local terms energy: -68.964114 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -10.414 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -12.080 tors. eta vs tors. theta energy: -21.750 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: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -199.733579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.733579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.733579 (E_RNA) where: Base-Base interactions energy: -130.537 where: short stacking energy: -58.270 Base-Backbone interact. energy: -0.058 local terms energy: -69.138679 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -13.267 flat angles C4'-P-C4' energy: -15.647 flat angles P-C4'-P energy: -10.057 tors. eta vs tors. theta energy: -16.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -210.361801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.361801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.361801 (E_RNA) where: Base-Base interactions energy: -140.705 where: short stacking energy: -59.406 Base-Backbone interact. energy: -0.017 local terms energy: -69.639179 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -202.312454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.312454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.312454 (E_RNA) where: Base-Base interactions energy: -133.283 where: short stacking energy: -66.485 Base-Backbone interact. energy: -0.751 local terms energy: -68.278134 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -11.384 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -20.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -191.596189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.596189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.596189 (E_RNA) where: Base-Base interactions energy: -131.189 where: short stacking energy: -54.708 Base-Backbone interact. energy: -0.303 local terms energy: -60.104054 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -5.563 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -12.461 tors. eta vs tors. theta energy: -17.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -89.548686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.548686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.548686 (E_RNA) where: Base-Base interactions energy: -28.449 where: short stacking energy: -28.449 Base-Backbone interact. energy: -0.037 local terms energy: -61.062882 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -14.594 flat angles P-C4'-P energy: -11.346 tors. eta vs tors. theta energy: -11.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -103.977873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.977873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.977873 (E_RNA) where: Base-Base interactions energy: -56.275 where: short stacking energy: -38.861 Base-Backbone interact. energy: -0.001 local terms energy: -47.701800 where: bonds (distance) C4'-P energy: -10.167 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -11.778 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -67.415411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.415411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.415411 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -13.169 Base-Backbone interact. energy: -0.129 local terms energy: -50.422166 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -9.850 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: 1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -219.164486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.164486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.164486 (E_RNA) where: Base-Base interactions energy: -151.516 where: short stacking energy: -54.622 Base-Backbone interact. energy: -0.102 local terms energy: -67.546484 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -14.714 flat angles C4'-P-C4' energy: -17.311 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -16.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -215.145382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.145382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.145382 (E_RNA) where: Base-Base interactions energy: -141.440 where: short stacking energy: -64.613 Base-Backbone interact. energy: 0.006 local terms energy: -73.711200 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -16.857 flat angles P-C4'-P energy: -11.813 tors. eta vs tors. theta energy: -17.157 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: 381 Temperature: 1.000000 Total energy: -210.490744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.490744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.490744 (E_RNA) where: Base-Base interactions energy: -138.208 where: short stacking energy: -60.163 Base-Backbone interact. energy: -0.016 local terms energy: -72.266243 where: bonds (distance) C4'-P energy: -12.584 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -18.742 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: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -210.342793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.342793 (E_RNA) where: Base-Base interactions energy: -142.973 where: short stacking energy: -55.300 Base-Backbone interact. energy: -0.137 local terms energy: -67.233390 where: bonds (distance) C4'-P energy: -12.055 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -11.702 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -201.651559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.651559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.651559 (E_RNA) where: Base-Base interactions energy: -138.311 where: short stacking energy: -58.135 Base-Backbone interact. energy: -0.039 local terms energy: -63.301729 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -20.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -204.986768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.986768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.986768 (E_RNA) where: Base-Base interactions energy: -143.920 where: short stacking energy: -61.932 Base-Backbone interact. energy: -0.019 local terms energy: -61.048358 where: bonds (distance) C4'-P energy: -9.279 bonds (distance) P-C4' energy: -10.806 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -17.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -185.875279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.875279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.875279 (E_RNA) where: Base-Base interactions energy: -113.467 where: short stacking energy: -50.297 Base-Backbone interact. energy: -0.859 local terms energy: -71.548833 where: bonds (distance) C4'-P energy: -16.150 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -11.324 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -81.506671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.506671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.506671 (E_RNA) where: Base-Base interactions energy: -29.574 where: short stacking energy: -29.574 Base-Backbone interact. energy: -0.045 local terms energy: -51.887526 where: bonds (distance) C4'-P energy: -17.238 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -11.621 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -73.532172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.532172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.532172 (E_RNA) where: Base-Base interactions energy: -27.022 where: short stacking energy: -26.333 Base-Backbone interact. energy: -0.165 local terms energy: -46.346088 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -8.753 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: 10, replica: 4 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -71.930928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.930928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.930928 (E_RNA) where: Base-Base interactions energy: -24.143 where: short stacking energy: -24.143 Base-Backbone interact. energy: -0.025 local terms energy: -47.762719 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -6.575 tors. eta vs tors. theta energy: -0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -216.637385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.637385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.637385 (E_RNA) where: Base-Base interactions energy: -140.869 where: short stacking energy: -68.082 Base-Backbone interact. energy: -2.487 local terms energy: -73.281903 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -20.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -218.772622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.772622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.772622 (E_RNA) where: Base-Base interactions energy: -141.430 where: short stacking energy: -62.455 Base-Backbone interact. energy: -3.031 local terms energy: -74.311368 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -21.632 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: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -214.178624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.178624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.178624 (E_RNA) where: Base-Base interactions energy: -135.883 where: short stacking energy: -62.956 Base-Backbone interact. energy: -0.227 local terms energy: -78.068439 where: bonds (distance) C4'-P energy: -15.710 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -12.696 tors. eta vs tors. theta energy: -21.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -209.914990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.914990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.914990 (E_RNA) where: Base-Base interactions energy: -134.983 where: short stacking energy: -62.765 Base-Backbone interact. energy: -2.073 local terms energy: -72.858615 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -11.632 tors. eta vs tors. theta energy: -20.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -205.271765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.271765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.271765 (E_RNA) where: Base-Base interactions energy: -136.562 where: short stacking energy: -57.999 Base-Backbone interact. energy: -0.023 local terms energy: -68.686632 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -17.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -196.158933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.158933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.158933 (E_RNA) where: Base-Base interactions energy: -133.003 where: short stacking energy: -49.919 Base-Backbone interact. energy: -0.002 local terms energy: -63.154495 where: bonds (distance) C4'-P energy: -13.689 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -14.092 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: 7, replica: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -187.789319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.789319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.789319 (E_RNA) where: Base-Base interactions energy: -120.450 where: short stacking energy: -55.466 Base-Backbone interact. energy: -0.795 local terms energy: -66.544982 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -13.637 flat angles P-C4'-P energy: -8.383 tors. eta vs tors. theta energy: -19.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -89.785250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.785250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.785250 (E_RNA) where: Base-Base interactions energy: -38.479 where: short stacking energy: -34.601 Base-Backbone interact. energy: -0.043 local terms energy: -51.262993 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -10.981 tors. eta vs tors. theta energy: -5.476 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: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -67.864769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.864769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.864769 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -23.860 Base-Backbone interact. energy: -0.892 local terms energy: -39.172233 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.669 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -3.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -80.479858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.479858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.479858 (E_RNA) where: Base-Base interactions energy: -40.931 where: short stacking energy: -40.931 Base-Backbone interact. energy: 1.576 local terms energy: -41.124600 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -217.696764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.696764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.696764 (E_RNA) where: Base-Base interactions energy: -142.808 where: short stacking energy: -62.997 Base-Backbone interact. energy: -0.506 local terms energy: -74.383337 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -18.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -212.952369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.952369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.952369 (E_RNA) where: Base-Base interactions energy: -139.599 where: short stacking energy: -60.130 Base-Backbone interact. energy: -0.003 local terms energy: -73.349764 where: bonds (distance) C4'-P energy: -16.297 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -15.937 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -218.199735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.199735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.199735 (E_RNA) where: Base-Base interactions energy: -148.693 where: short stacking energy: -62.791 Base-Backbone interact. energy: -2.902 local terms energy: -66.604440 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -15.683 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: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -200.818281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.818281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.818281 (E_RNA) where: Base-Base interactions energy: -133.906 where: short stacking energy: -63.656 Base-Backbone interact. energy: -0.624 local terms energy: -66.288296 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -8.670 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -201.278234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.278234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.278234 (E_RNA) where: Base-Base interactions energy: -132.580 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.001 local terms energy: -68.697457 where: bonds (distance) C4'-P energy: -12.025 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -19.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -198.654059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.654059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.654059 (E_RNA) where: Base-Base interactions energy: -129.292 where: short stacking energy: -57.583 Base-Backbone interact. energy: -1.557 local terms energy: -67.805160 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -7.988 tors. eta vs tors. theta energy: -18.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -183.023710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.023710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.023710 (E_RNA) where: Base-Base interactions energy: -116.445 where: short stacking energy: -53.409 Base-Backbone interact. energy: -0.035 local terms energy: -66.543795 where: bonds (distance) C4'-P energy: -16.066 bonds (distance) P-C4' energy: -9.551 flat angles C4'-P-C4' energy: -13.536 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -17.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -90.110565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.110565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.110565 (E_RNA) where: Base-Base interactions energy: -41.929 where: short stacking energy: -35.341 Base-Backbone interact. energy: -0.000 local terms energy: -48.181107 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -74.754051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.754051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.754051 (E_RNA) where: Base-Base interactions energy: -23.870 where: short stacking energy: -19.021 Base-Backbone interact. energy: -0.328 local terms energy: -50.556414 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -7.458 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: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -73.697133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.697133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.697133 (E_RNA) where: Base-Base interactions energy: -30.648 where: short stacking energy: -26.203 Base-Backbone interact. energy: 2.022 local terms energy: -45.071486 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -10.384 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -4.062 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: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -215.404358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.404358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.404358 (E_RNA) where: Base-Base interactions energy: -138.247 where: short stacking energy: -61.624 Base-Backbone interact. energy: -1.092 local terms energy: -76.065113 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -15.496 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -12.917 tors. eta vs tors. theta energy: -20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -213.762203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.762203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.762203 (E_RNA) where: Base-Base interactions energy: -138.800 where: short stacking energy: -60.761 Base-Backbone interact. energy: -0.339 local terms energy: -74.622845 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -208.389574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.389574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.389574 (E_RNA) where: Base-Base interactions energy: -144.367 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.103 local terms energy: -63.919170 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -11.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -205.164178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.164178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.164178 (E_RNA) where: Base-Base interactions energy: -130.263 where: short stacking energy: -64.944 Base-Backbone interact. energy: -0.240 local terms energy: -74.661156 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -12.806 tors. eta vs tors. theta energy: -19.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -197.766492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.766492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.766492 (E_RNA) where: Base-Base interactions energy: -133.538 where: short stacking energy: -63.790 Base-Backbone interact. energy: -0.001 local terms energy: -64.228116 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -195.497214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.497214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.497214 (E_RNA) where: Base-Base interactions energy: -129.407 where: short stacking energy: -60.700 Base-Backbone interact. energy: -0.166 local terms energy: -65.924104 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -12.892 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -9.571 tors. eta vs tors. theta energy: -16.954 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: 384 Temperature: 1.200000 Total energy: -191.874456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.874456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.874456 (E_RNA) where: Base-Base interactions energy: -134.493 where: short stacking energy: -59.241 Base-Backbone interact. energy: -0.002 local terms energy: -57.379821 where: bonds (distance) C4'-P energy: -10.941 bonds (distance) P-C4' energy: -14.451 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -16.437 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: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -79.554534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.554534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.554534 (E_RNA) where: Base-Base interactions energy: -33.492 where: short stacking energy: -33.303 Base-Backbone interact. energy: 1.957 local terms energy: -48.019754 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -7.099 flat angles C4'-P-C4' energy: -12.401 flat angles P-C4'-P energy: -6.862 tors. eta vs tors. theta energy: -7.032 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: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -79.487213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.487213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.487213 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -17.540 Base-Backbone interact. energy: -0.319 local terms energy: -57.390611 where: bonds (distance) C4'-P energy: -14.936 bonds (distance) P-C4' energy: -15.467 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -10.231 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -78.063227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.063227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.063227 (E_RNA) where: Base-Base interactions energy: -22.187 where: short stacking energy: -22.187 Base-Backbone interact. energy: -0.576 local terms energy: -55.299836 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -16.603 flat angles C4'-P-C4' energy: -10.396 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -218.659606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.659606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.659606 (E_RNA) where: Base-Base interactions energy: -141.142 where: short stacking energy: -63.036 Base-Backbone interact. energy: -0.125 local terms energy: -77.391863 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -16.098 flat angles P-C4'-P energy: -12.395 tors. eta vs tors. theta energy: -19.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -210.290092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.290092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.290092 (E_RNA) where: Base-Base interactions energy: -138.670 where: short stacking energy: -55.353 Base-Backbone interact. energy: -1.141 local terms energy: -70.478437 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -18.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -218.885265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.885265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.885265 (E_RNA) where: Base-Base interactions energy: -140.750 where: short stacking energy: -66.146 Base-Backbone interact. energy: -0.217 local terms energy: -77.918996 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -16.335 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -20.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -205.801501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.801501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.801501 (E_RNA) where: Base-Base interactions energy: -133.860 where: short stacking energy: -56.083 Base-Backbone interact. energy: -0.059 local terms energy: -71.882771 where: bonds (distance) C4'-P energy: -16.339 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -12.330 tors. eta vs tors. theta energy: -15.708 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: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -199.112558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.112558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.112558 (E_RNA) where: Base-Base interactions energy: -129.111 where: short stacking energy: -63.056 Base-Backbone interact. energy: -0.180 local terms energy: -69.820988 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -192.794840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.794840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.794840 (E_RNA) where: Base-Base interactions energy: -130.814 where: short stacking energy: -43.858 Base-Backbone interact. energy: -0.031 local terms energy: -61.950357 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -11.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -187.906747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.906747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.906747 (E_RNA) where: Base-Base interactions energy: -117.881 where: short stacking energy: -53.328 Base-Backbone interact. energy: -0.008 local terms energy: -70.018582 where: bonds (distance) C4'-P energy: -11.259 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -18.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -84.764698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.764698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.764698 (E_RNA) where: Base-Base interactions energy: -27.101 where: short stacking energy: -27.101 Base-Backbone interact. energy: 0.961 local terms energy: -58.624536 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -9.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -79.889876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.889876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.889876 (E_RNA) where: Base-Base interactions energy: -30.198 where: short stacking energy: -18.714 Base-Backbone interact. energy: -1.134 local terms energy: -48.557413 where: bonds (distance) C4'-P energy: -15.716 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -9.924 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -82.453451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.453451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.453451 (E_RNA) where: Base-Base interactions energy: -40.151 where: short stacking energy: -33.446 Base-Backbone interact. energy: -0.352 local terms energy: -41.951343 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -3.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -217.857104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.857104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.857104 (E_RNA) where: Base-Base interactions energy: -142.713 where: short stacking energy: -66.787 Base-Backbone interact. energy: -0.028 local terms energy: -75.116558 where: bonds (distance) C4'-P energy: -15.259 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -16.974 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -19.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -212.479662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.479662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.479662 (E_RNA) where: Base-Base interactions energy: -133.959 where: short stacking energy: -58.096 Base-Backbone interact. energy: -0.033 local terms energy: -78.487611 where: bonds (distance) C4'-P energy: -14.422 bonds (distance) P-C4' energy: -16.037 flat angles C4'-P-C4' energy: -16.390 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -19.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -208.627427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.627427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.627427 (E_RNA) where: Base-Base interactions energy: -137.642 where: short stacking energy: -65.248 Base-Backbone interact. energy: -1.185 local terms energy: -69.800568 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -20.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -213.185398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.185398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.185398 (E_RNA) where: Base-Base interactions energy: -142.196 where: short stacking energy: -64.976 Base-Backbone interact. energy: -0.798 local terms energy: -70.191209 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -15.382 flat angles C4'-P-C4' energy: -9.938 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -20.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -196.514222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.514222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.514222 (E_RNA) where: Base-Base interactions energy: -128.238 where: short stacking energy: -50.802 Base-Backbone interact. energy: -0.448 local terms energy: -67.828437 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -14.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -197.048317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.048317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.048317 (E_RNA) where: Base-Base interactions energy: -126.908 where: short stacking energy: -52.938 Base-Backbone interact. energy: -0.182 local terms energy: -69.958455 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -15.347 flat angles C4'-P-C4' energy: -14.873 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -15.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -191.631934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.631934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.631934 (E_RNA) where: Base-Base interactions energy: -128.197 where: short stacking energy: -59.529 Base-Backbone interact. energy: -0.104 local terms energy: -63.330202 where: bonds (distance) C4'-P energy: -9.396 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -16.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -75.899111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.899111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.899111 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -18.933 Base-Backbone interact. energy: -0.120 local terms energy: -50.917143 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -15.886 flat angles C4'-P-C4' energy: -9.884 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -1.306 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: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -84.417849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.417849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.417849 (E_RNA) where: Base-Base interactions energy: -49.679 where: short stacking energy: -21.050 Base-Backbone interact. energy: 0.070 local terms energy: -34.809412 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -2.347 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: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -75.367595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.367595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.367595 (E_RNA) where: Base-Base interactions energy: -33.481 where: short stacking energy: -15.683 Base-Backbone interact. energy: 0.266 local terms energy: -42.153099 where: bonds (distance) C4'-P energy: -7.974 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -9.916 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -223.537872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.537872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.537872 (E_RNA) where: Base-Base interactions energy: -148.191 where: short stacking energy: -65.462 Base-Backbone interact. energy: -0.003 local terms energy: -75.343956 where: bonds (distance) C4'-P energy: -15.668 bonds (distance) P-C4' energy: -13.014 flat angles C4'-P-C4' energy: -12.154 flat angles P-C4'-P energy: -14.760 tors. eta vs tors. theta energy: -19.747 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: 2, replica: 3 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -222.011191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.011191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.011191 (E_RNA) where: Base-Base interactions energy: -148.519 where: short stacking energy: -56.890 Base-Backbone interact. energy: -0.016 local terms energy: -73.476298 where: bonds (distance) C4'-P energy: -11.375 bonds (distance) P-C4' energy: -17.256 flat angles C4'-P-C4' energy: -16.951 flat angles P-C4'-P energy: -10.689 tors. eta vs tors. theta energy: -17.205 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: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -215.897471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.897471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.897471 (E_RNA) where: Base-Base interactions energy: -139.479 where: short stacking energy: -64.721 Base-Backbone interact. energy: 0.061 local terms energy: -76.479069 where: bonds (distance) C4'-P energy: -14.821 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -15.377 flat angles P-C4'-P energy: -13.835 tors. eta vs tors. theta energy: -18.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -204.469258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.469258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.469258 (E_RNA) where: Base-Base interactions energy: -143.646 where: short stacking energy: -63.384 Base-Backbone interact. energy: -0.127 local terms energy: -60.696094 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -14.575 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -14.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -208.212209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.212209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.212209 (E_RNA) where: Base-Base interactions energy: -131.897 where: short stacking energy: -61.013 Base-Backbone interact. energy: -0.001 local terms energy: -76.314528 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -15.522 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -19.223 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: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -202.668513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.668513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.668513 (E_RNA) where: Base-Base interactions energy: -131.878 where: short stacking energy: -53.497 Base-Backbone interact. energy: -0.115 local terms energy: -70.675709 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -15.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -191.960464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.960464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.960464 (E_RNA) where: Base-Base interactions energy: -130.742 where: short stacking energy: -59.483 Base-Backbone interact. energy: -0.042 local terms energy: -61.176246 where: bonds (distance) C4'-P energy: -10.100 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -16.758 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: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -79.216037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.216037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.216037 (E_RNA) where: Base-Base interactions energy: -37.386 where: short stacking energy: -31.127 Base-Backbone interact. energy: -0.147 local terms energy: -41.682665 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -11.099 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -74.293507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.293507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.293507 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -29.104 Base-Backbone interact. energy: -0.424 local terms energy: -44.764980 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -11.618 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -6.755 tors. eta vs tors. theta energy: -5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -78.466641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.466641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.466641 (E_RNA) where: Base-Base interactions energy: -38.711 where: short stacking energy: -24.055 Base-Backbone interact. energy: -0.527 local terms energy: -39.228398 where: bonds (distance) C4'-P energy: -9.359 bonds (distance) P-C4' energy: -10.420 flat angles C4'-P-C4' energy: -11.977 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -0.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -222.999459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.999459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.999459 (E_RNA) where: Base-Base interactions energy: -150.041 where: short stacking energy: -67.863 Base-Backbone interact. energy: -0.011 local terms energy: -72.947109 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -16.177 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -18.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -218.907009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.907009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.907009 (E_RNA) where: Base-Base interactions energy: -147.431 where: short stacking energy: -61.835 Base-Backbone interact. energy: -0.012 local terms energy: -71.464487 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -11.758 flat angles C4'-P-C4' energy: -16.535 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -16.673 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: 5 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -204.012102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.012102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.012102 (E_RNA) where: Base-Base interactions energy: -132.765 where: short stacking energy: -54.529 Base-Backbone interact. energy: -0.840 local terms energy: -70.407117 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -15.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -211.716773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.716773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.716773 (E_RNA) where: Base-Base interactions energy: -134.851 where: short stacking energy: -66.447 Base-Backbone interact. energy: -0.007 local terms energy: -76.858529 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -13.943 flat angles C4'-P-C4' energy: -15.843 flat angles P-C4'-P energy: -13.142 tors. eta vs tors. theta energy: -18.985 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: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -205.222540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.222540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.222540 (E_RNA) where: Base-Base interactions energy: -136.530 where: short stacking energy: -68.944 Base-Backbone interact. energy: 0.915 local terms energy: -69.607407 where: bonds (distance) C4'-P energy: -15.118 bonds (distance) P-C4' energy: -8.817 flat angles C4'-P-C4' energy: -16.598 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -18.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -200.232550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.232550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.232550 (E_RNA) where: Base-Base interactions energy: -143.488 where: short stacking energy: -52.465 Base-Backbone interact. energy: -0.236 local terms energy: -56.508729 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -15.354 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -201.103349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.103349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.103349 (E_RNA) where: Base-Base interactions energy: -133.885 where: short stacking energy: -60.686 Base-Backbone interact. energy: -1.527 local terms energy: -65.691580 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -18.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -100.399425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.399425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.399425 (E_RNA) where: Base-Base interactions energy: -57.187 where: short stacking energy: -30.976 Base-Backbone interact. energy: -0.026 local terms energy: -43.185901 where: bonds (distance) C4'-P energy: -10.772 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -0.570 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: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -96.357553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.357553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.357553 (E_RNA) where: Base-Base interactions energy: -53.145 where: short stacking energy: -27.420 Base-Backbone interact. energy: -0.107 local terms energy: -43.105404 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -9.672 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: 0.463 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: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -74.989442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.989442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.989442 (E_RNA) where: Base-Base interactions energy: -35.033 where: short stacking energy: -26.979 Base-Backbone interact. energy: -0.205 local terms energy: -39.751480 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -12.121 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -0.073 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: 3 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -222.183660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.183660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.183660 (E_RNA) where: Base-Base interactions energy: -147.677 where: short stacking energy: -70.260 Base-Backbone interact. energy: -0.005 local terms energy: -74.501359 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -22.120 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: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -221.020554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.020554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.020554 (E_RNA) where: Base-Base interactions energy: -145.137 where: short stacking energy: -66.605 Base-Backbone interact. energy: -0.103 local terms energy: -75.780306 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -17.628 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -18.929 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: 5 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -206.932715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.932715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.932715 (E_RNA) where: Base-Base interactions energy: -132.769 where: short stacking energy: -58.667 Base-Backbone interact. energy: -0.003 local terms energy: -74.161151 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -11.756 tors. eta vs tors. theta energy: -18.620 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: 389 Temperature: 1.050000 Total energy: -201.780412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.780412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.780412 (E_RNA) where: Base-Base interactions energy: -131.856 where: short stacking energy: -60.164 Base-Backbone interact. energy: -1.242 local terms energy: -68.682062 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -14.904 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -18.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -210.596820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.596820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.596820 (E_RNA) where: Base-Base interactions energy: -138.235 where: short stacking energy: -71.044 Base-Backbone interact. energy: -0.001 local terms energy: -72.360698 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -8.464 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -200.354127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.354127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.354127 (E_RNA) where: Base-Base interactions energy: -127.055 where: short stacking energy: -63.529 Base-Backbone interact. energy: -0.016 local terms energy: -73.283403 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -21.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -188.822112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.822112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.822112 (E_RNA) where: Base-Base interactions energy: -121.698 where: short stacking energy: -60.257 Base-Backbone interact. energy: -2.357 local terms energy: -64.766218 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -12.187 flat angles P-C4'-P energy: -8.673 tors. eta vs tors. theta energy: -20.016 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: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -125.929058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.929058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.929058 (E_RNA) where: Base-Base interactions energy: -65.373 where: short stacking energy: -35.049 Base-Backbone interact. energy: -0.111 local terms energy: -60.445122 where: bonds (distance) C4'-P energy: -10.511 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -12.280 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -11.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -77.191658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.191658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.191658 (E_RNA) where: Base-Base interactions energy: -29.319 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.215 local terms energy: -47.657466 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -17.521 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -0.910 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: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -70.919643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.919643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.919643 (E_RNA) where: Base-Base interactions energy: -27.541 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.160 local terms energy: -43.219108 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -14.754 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -1.153 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: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -225.756825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.756825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.756825 (E_RNA) where: Base-Base interactions energy: -152.515 where: short stacking energy: -71.345 Base-Backbone interact. energy: -0.006 local terms energy: -73.235863 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -16.795 flat angles P-C4'-P energy: -11.611 tors. eta vs tors. theta energy: -19.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -222.441748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.441748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.441748 (E_RNA) where: Base-Base interactions energy: -145.589 where: short stacking energy: -68.353 Base-Backbone interact. energy: -0.845 local terms energy: -76.007164 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -15.735 flat angles C4'-P-C4' energy: -16.957 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -20.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -206.190901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.190901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.190901 (E_RNA) where: Base-Base interactions energy: -134.700 where: short stacking energy: -61.210 Base-Backbone interact. energy: -0.874 local terms energy: -70.616998 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -20.891 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: 9 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -209.259813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.259813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.259813 (E_RNA) where: Base-Base interactions energy: -140.280 where: short stacking energy: -59.060 Base-Backbone interact. energy: -0.169 local terms energy: -68.811168 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -14.418 flat angles C4'-P-C4' energy: -9.903 flat angles P-C4'-P energy: -12.329 tors. eta vs tors. theta energy: -19.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -203.843953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.843953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.843953 (E_RNA) where: Base-Base interactions energy: -138.657 where: short stacking energy: -51.651 Base-Backbone interact. energy: -0.058 local terms energy: -65.129345 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -13.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -201.435753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.435753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.435753 (E_RNA) where: Base-Base interactions energy: -130.386 where: short stacking energy: -61.032 Base-Backbone interact. energy: -0.165 local terms energy: -70.884438 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.304 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -18.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -126.449221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.449221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.449221 (E_RNA) where: Base-Base interactions energy: -70.526 where: short stacking energy: -40.705 Base-Backbone interact. energy: -0.327 local terms energy: -55.596405 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -15.654 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -8.538 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: 10 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -162.366293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.366293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.366293 (E_RNA) where: Base-Base interactions energy: -106.578 where: short stacking energy: -43.929 Base-Backbone interact. energy: -0.210 local terms energy: -55.577935 where: bonds (distance) C4'-P energy: -3.857 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -14.179 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: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -73.890631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.890631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.890631 (E_RNA) where: Base-Base interactions energy: -26.907 where: short stacking energy: -26.907 Base-Backbone interact. energy: -0.288 local terms energy: -46.696045 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -11.002 flat angles C4'-P-C4' energy: -9.544 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -79.022361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.022361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.022361 (E_RNA) where: Base-Base interactions energy: -26.403 where: short stacking energy: -26.403 Base-Backbone interact. energy: -0.244 local terms energy: -52.375350 where: bonds (distance) C4'-P energy: -14.572 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -14.590 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -2.627 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: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -220.852109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.852109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.852109 (E_RNA) where: Base-Base interactions energy: -143.260 where: short stacking energy: -63.041 Base-Backbone interact. energy: -2.241 local terms energy: -75.351861 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -15.040 flat angles C4'-P-C4' energy: -12.312 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -20.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -225.289774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.289774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.289774 (E_RNA) where: Base-Base interactions energy: -153.580 where: short stacking energy: -59.571 Base-Backbone interact. energy: -0.122 local terms energy: -71.587417 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -14.180 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -16.394 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: 3 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -217.812643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.812643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.812643 (E_RNA) where: Base-Base interactions energy: -146.382 where: short stacking energy: -58.849 Base-Backbone interact. energy: -0.142 local terms energy: -71.288661 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -15.793 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -17.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -213.668336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.668336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.668336 (E_RNA) where: Base-Base interactions energy: -138.944 where: short stacking energy: -58.856 Base-Backbone interact. energy: -0.139 local terms energy: -74.586001 where: bonds (distance) C4'-P energy: -15.831 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -20.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -196.627971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.627971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.627971 (E_RNA) where: Base-Base interactions energy: -120.895 where: short stacking energy: -57.781 Base-Backbone interact. energy: -0.003 local terms energy: -75.729877 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -11.060 tors. eta vs tors. theta energy: -20.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -192.657808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.657808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.657808 (E_RNA) where: Base-Base interactions energy: -125.538 where: short stacking energy: -54.347 Base-Backbone interact. energy: -0.068 local terms energy: -67.051980 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -16.292 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -15.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -139.449949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.449949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.449949 (E_RNA) where: Base-Base interactions energy: -74.879 where: short stacking energy: -43.181 Base-Backbone interact. energy: -0.033 local terms energy: -64.538763 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -12.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -104.907343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.907343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.907343 (E_RNA) where: Base-Base interactions energy: -67.866 where: short stacking energy: -42.461 Base-Backbone interact. energy: 1.872 local terms energy: -38.913179 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -5.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -81.857440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.857440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.857440 (E_RNA) where: Base-Base interactions energy: -32.494 where: short stacking energy: -32.494 Base-Backbone interact. energy: 0.331 local terms energy: -49.693910 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -12.664 flat angles C4'-P-C4' energy: -9.824 flat angles P-C4'-P energy: -7.325 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -73.979740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.979740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.979740 (E_RNA) where: Base-Base interactions energy: -23.268 where: short stacking energy: -24.160 Base-Backbone interact. energy: -0.202 local terms energy: -50.510070 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -9.716 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: 0.546 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: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -219.049793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.049793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.049793 (E_RNA) where: Base-Base interactions energy: -147.926 where: short stacking energy: -54.210 Base-Backbone interact. energy: -0.620 local terms energy: -70.503638 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -11.892 tors. eta vs tors. theta energy: -14.130 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: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -215.717436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.717436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.717436 (E_RNA) where: Base-Base interactions energy: -137.001 where: short stacking energy: -63.709 Base-Backbone interact. energy: -0.169 local terms energy: -78.547731 where: bonds (distance) C4'-P energy: -16.994 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -16.502 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -18.472 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: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -211.393100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.393100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.393100 (E_RNA) where: Base-Base interactions energy: -131.435 where: short stacking energy: -59.722 Base-Backbone interact. energy: -0.176 local terms energy: -79.782099 where: bonds (distance) C4'-P energy: -14.716 bonds (distance) P-C4' energy: -18.511 flat angles C4'-P-C4' energy: -13.927 flat angles P-C4'-P energy: -11.719 tors. eta vs tors. theta energy: -20.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -210.580374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.580374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.580374 (E_RNA) where: Base-Base interactions energy: -144.681 where: short stacking energy: -52.328 Base-Backbone interact. energy: -0.084 local terms energy: -65.815075 where: bonds (distance) C4'-P energy: -9.641 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -17.929 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -15.093 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -195.111524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.111524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.111524 (E_RNA) where: Base-Base interactions energy: -120.430 where: short stacking energy: -55.752 Base-Backbone interact. energy: -0.010 local terms energy: -74.670711 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -11.938 tors. eta vs tors. theta energy: -18.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -195.516024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.516024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.516024 (E_RNA) where: Base-Base interactions energy: -122.917 where: short stacking energy: -52.850 Base-Backbone interact. energy: -0.866 local terms energy: -71.732998 where: bonds (distance) C4'-P energy: -10.602 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -19.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -122.290777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.290777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.290777 (E_RNA) where: Base-Base interactions energy: -68.210 where: short stacking energy: -33.369 Base-Backbone interact. energy: -0.140 local terms energy: -53.940867 where: bonds (distance) C4'-P energy: -8.543 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -6.064 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: 10 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -78.383730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.383730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.383730 (E_RNA) where: Base-Base interactions energy: -27.269 where: short stacking energy: -27.269 Base-Backbone interact. energy: -0.105 local terms energy: -51.009360 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -12.544 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -72.133190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.133190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.133190 (E_RNA) where: Base-Base interactions energy: -24.755 where: short stacking energy: -24.755 Base-Backbone interact. energy: -0.123 local terms energy: -47.254802 where: bonds (distance) C4'-P energy: -11.296 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -9.817 flat angles P-C4'-P energy: -7.395 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -69.516121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.516121 (E_RNA) where: Base-Base interactions energy: -23.732 where: short stacking energy: -23.732 Base-Backbone interact. energy: -0.911 local terms energy: -44.873219 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -16.180 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -224.183997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.183997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.183997 (E_RNA) where: Base-Base interactions energy: -150.825 where: short stacking energy: -62.769 Base-Backbone interact. energy: -0.669 local terms energy: -72.689678 where: bonds (distance) C4'-P energy: -10.907 bonds (distance) P-C4' energy: -16.738 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -18.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -217.439026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.439026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.439026 (E_RNA) where: Base-Base interactions energy: -145.795 where: short stacking energy: -63.388 Base-Backbone interact. energy: -0.619 local terms energy: -71.025165 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -19.738 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: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -215.662050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.662050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.662050 (E_RNA) where: Base-Base interactions energy: -140.930 where: short stacking energy: -66.206 Base-Backbone interact. energy: -0.001 local terms energy: -74.731113 where: bonds (distance) C4'-P energy: -13.375 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -10.962 tors. eta vs tors. theta energy: -20.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -216.597170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.597170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.597170 (E_RNA) where: Base-Base interactions energy: -153.590 where: short stacking energy: -64.388 Base-Backbone interact. energy: 0.469 local terms energy: -63.475996 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -16.391 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -12.272 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: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -200.729475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.729475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.729475 (E_RNA) where: Base-Base interactions energy: -140.879 where: short stacking energy: -61.058 Base-Backbone interact. energy: -0.786 local terms energy: -59.064712 where: bonds (distance) C4'-P energy: -5.628 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -18.670 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: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -199.384747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.384747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.384747 (E_RNA) where: Base-Base interactions energy: -142.309 where: short stacking energy: -49.794 Base-Backbone interact. energy: -0.408 local terms energy: -56.667820 where: bonds (distance) C4'-P energy: -9.841 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -16.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -119.445254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.445254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.445254 (E_RNA) where: Base-Base interactions energy: -64.857 where: short stacking energy: -40.038 Base-Backbone interact. energy: -0.074 local terms energy: -54.514857 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -8.012 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -12.253 tors. eta vs tors. theta energy: -8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -90.552885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.552885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.552885 (E_RNA) where: Base-Base interactions energy: -39.451 where: short stacking energy: -26.693 Base-Backbone interact. energy: -0.485 local terms energy: -50.616910 where: bonds (distance) C4'-P energy: -9.087 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -12.554 tors. eta vs tors. theta energy: -2.939 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: 10 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -81.269476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.269476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.269476 (E_RNA) where: Base-Base interactions energy: -36.798 where: short stacking energy: -36.798 Base-Backbone interact. energy: -0.292 local terms energy: -44.180313 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -73.809291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.809291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.809291 (E_RNA) where: Base-Base interactions energy: -24.887 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.154 local terms energy: -48.768259 where: bonds (distance) C4'-P energy: -11.591 bonds (distance) P-C4' energy: -15.014 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -8.678 tors. eta vs tors. theta energy: -7.476 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: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -217.985949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.985949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.985949 (E_RNA) where: Base-Base interactions energy: -149.900 where: short stacking energy: -64.253 Base-Backbone interact. energy: -0.009 local terms energy: -68.077307 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -17.396 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -15.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -224.385218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.385218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.385218 (E_RNA) where: Base-Base interactions energy: -156.501 where: short stacking energy: -55.195 Base-Backbone interact. energy: -0.246 local terms energy: -67.638728 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -15.710 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -14.787 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: 3 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -217.089633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.089633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.089633 (E_RNA) where: Base-Base interactions energy: -136.244 where: short stacking energy: -62.019 Base-Backbone interact. energy: -1.312 local terms energy: -79.533462 where: bonds (distance) C4'-P energy: -14.551 bonds (distance) P-C4' energy: -18.497 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -18.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -212.394383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.394383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.394383 (E_RNA) where: Base-Base interactions energy: -138.108 where: short stacking energy: -56.829 Base-Backbone interact. energy: -0.898 local terms energy: -73.388590 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -21.052 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: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -201.609203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.609203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.609203 (E_RNA) where: Base-Base interactions energy: -138.076 where: short stacking energy: -65.871 Base-Backbone interact. energy: -1.950 local terms energy: -61.582646 where: bonds (distance) C4'-P energy: -8.245 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -13.749 flat angles P-C4'-P energy: -6.770 tors. eta vs tors. theta energy: -18.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -193.884921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.884921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.884921 (E_RNA) where: Base-Base interactions energy: -130.169 where: short stacking energy: -55.793 Base-Backbone interact. energy: -0.699 local terms energy: -63.016876 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -14.545 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: 4 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -92.678246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.678246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.678246 (E_RNA) where: Base-Base interactions energy: -51.396 where: short stacking energy: -27.627 Base-Backbone interact. energy: 0.081 local terms energy: -41.362944 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -9.651 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: 2.343 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: 394 Temperature: 1.250000 Total energy: -90.390625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.390625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.390625 (E_RNA) where: Base-Base interactions energy: -40.919 where: short stacking energy: -30.941 Base-Backbone interact. energy: 1.727 local terms energy: -51.198939 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -5.430 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: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -77.664718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.664718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.664718 (E_RNA) where: Base-Base interactions energy: -30.737 where: short stacking energy: -28.703 Base-Backbone interact. energy: 0.133 local terms energy: -47.060735 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -14.114 flat angles C4'-P-C4' energy: -13.081 flat angles P-C4'-P energy: -1.824 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -77.070514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.070514 (E_RNA) where: Base-Base interactions energy: -27.723 where: short stacking energy: -23.863 Base-Backbone interact. energy: -0.181 local terms energy: -49.166862 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -10.723 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -4.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -220.805896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.805896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.805896 (E_RNA) where: Base-Base interactions energy: -147.784 where: short stacking energy: -67.654 Base-Backbone interact. energy: -0.001 local terms energy: -73.020974 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -10.799 tors. eta vs tors. theta energy: -16.764 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: 3 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -222.118634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.118634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.118634 (E_RNA) where: Base-Base interactions energy: -152.066 where: short stacking energy: -58.556 Base-Backbone interact. energy: -0.763 local terms energy: -69.289699 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -8.754 tors. eta vs tors. theta energy: -19.235 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: 3, replica: 5 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -219.318704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.318704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.318704 (E_RNA) where: Base-Base interactions energy: -150.338 where: short stacking energy: -63.238 Base-Backbone interact. energy: -0.092 local terms energy: -68.889614 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -8.141 tors. eta vs tors. theta energy: -18.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -205.005741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.005741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.005741 (E_RNA) where: Base-Base interactions energy: -137.222 where: short stacking energy: -56.095 Base-Backbone interact. energy: -1.004 local terms energy: -66.779112 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -12.960 tors. eta vs tors. theta energy: -18.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -199.967123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.967123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.967123 (E_RNA) where: Base-Base interactions energy: -125.300 where: short stacking energy: -57.053 Base-Backbone interact. energy: -0.000 local terms energy: -74.666601 where: bonds (distance) C4'-P energy: -15.422 bonds (distance) P-C4' energy: -15.149 flat angles C4'-P-C4' energy: -16.215 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -207.405715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.405715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.405715 (E_RNA) where: Base-Base interactions energy: -144.517 where: short stacking energy: -52.763 Base-Backbone interact. energy: -0.841 local terms energy: -62.048221 where: bonds (distance) C4'-P energy: -15.279 bonds (distance) P-C4' energy: -13.770 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -12.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -82.679672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.679672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.679672 (E_RNA) where: Base-Base interactions energy: -35.632 where: short stacking energy: -34.117 Base-Backbone interact. energy: -0.143 local terms energy: -46.904231 where: bonds (distance) C4'-P energy: -5.860 bonds (distance) P-C4' energy: -12.256 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -6.521 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: 395 Temperature: 1.250000 Total energy: -85.797570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.797570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.797570 (E_RNA) where: Base-Base interactions energy: -42.185 where: short stacking energy: -36.458 Base-Backbone interact. energy: -0.127 local terms energy: -43.484917 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -73.152655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.152655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.152655 (E_RNA) where: Base-Base interactions energy: -26.144 where: short stacking energy: -20.636 Base-Backbone interact. energy: -0.207 local terms energy: -46.801497 where: bonds (distance) C4'-P energy: -11.373 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -9.314 tors. eta vs tors. theta energy: -2.475 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: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -80.720576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.720576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.720576 (E_RNA) where: Base-Base interactions energy: -32.018 where: short stacking energy: -22.352 Base-Backbone interact. energy: -0.324 local terms energy: -48.378245 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -223.876615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.876615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.876615 (E_RNA) where: Base-Base interactions energy: -147.872 where: short stacking energy: -71.218 Base-Backbone interact. energy: -0.001 local terms energy: -76.002857 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -15.629 flat angles C4'-P-C4' energy: -16.220 flat angles P-C4'-P energy: -11.506 tors. eta vs tors. theta energy: -20.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -210.523029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.523029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.523029 (E_RNA) where: Base-Base interactions energy: -141.240 where: short stacking energy: -52.736 Base-Backbone interact. energy: -0.638 local terms energy: -68.644314 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -13.138 tors. eta vs tors. theta energy: -15.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -220.542519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.542519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.542519 (E_RNA) where: Base-Base interactions energy: -153.167 where: short stacking energy: -58.460 Base-Backbone interact. energy: -0.166 local terms energy: -67.210033 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -10.987 tors. eta vs tors. theta energy: -14.370 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: 396 Temperature: 1.050000 Total energy: -214.610438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.610438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.610438 (E_RNA) where: Base-Base interactions energy: -141.855 where: short stacking energy: -61.450 Base-Backbone interact. energy: -0.226 local terms energy: -72.529315 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -18.877 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: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -202.331372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.331372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.331372 (E_RNA) where: Base-Base interactions energy: -134.513 where: short stacking energy: -55.216 Base-Backbone interact. energy: -0.152 local terms energy: -67.666034 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -186.820350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.820350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.820350 (E_RNA) where: Base-Base interactions energy: -123.526 where: short stacking energy: -56.536 Base-Backbone interact. energy: -0.372 local terms energy: -62.921760 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -12.112 flat angles P-C4'-P energy: -10.576 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -83.634296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.634296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.634296 (E_RNA) where: Base-Base interactions energy: -33.256 where: short stacking energy: -33.256 Base-Backbone interact. energy: -0.094 local terms energy: -50.283922 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -88.015508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.015508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.015508 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -30.202 Base-Backbone interact. energy: -0.081 local terms energy: -57.732374 where: bonds (distance) C4'-P energy: -16.447 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -6.574 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: 396 Temperature: 1.300000 Total energy: -84.561790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.561790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.561790 (E_RNA) where: Base-Base interactions energy: -42.796 where: short stacking energy: -30.431 Base-Backbone interact. energy: -0.099 local terms energy: -41.665971 where: bonds (distance) C4'-P energy: -7.558 bonds (distance) P-C4' energy: -12.410 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -70.547447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.547447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.547447 (E_RNA) where: Base-Base interactions energy: -24.377 where: short stacking energy: -13.450 Base-Backbone interact. energy: 0.357 local terms energy: -46.527166 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -10.694 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: 1.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -228.211099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.211099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.211099 (E_RNA) where: Base-Base interactions energy: -152.012 where: short stacking energy: -66.995 Base-Backbone interact. energy: -2.691 local terms energy: -73.508429 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -20.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -219.015738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.015738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.015738 (E_RNA) where: Base-Base interactions energy: -146.403 where: short stacking energy: -65.381 Base-Backbone interact. energy: 1.316 local terms energy: -73.928608 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -12.295 tors. eta vs tors. theta energy: -17.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -205.091279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.091279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.091279 (E_RNA) where: Base-Base interactions energy: -135.794 where: short stacking energy: -57.035 Base-Backbone interact. energy: -0.489 local terms energy: -68.808246 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -14.202 flat angles P-C4'-P energy: -8.125 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -215.376880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.376880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.376880 (E_RNA) where: Base-Base interactions energy: -155.854 where: short stacking energy: -63.420 Base-Backbone interact. energy: 0.416 local terms energy: -59.938655 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -7.429 tors. eta vs tors. theta energy: -14.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -194.449592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.449592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.449592 (E_RNA) where: Base-Base interactions energy: -133.746 where: short stacking energy: -53.876 Base-Backbone interact. energy: -0.233 local terms energy: -60.470807 where: bonds (distance) C4'-P energy: -6.179 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -17.038 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: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -186.797088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.797088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.797088 (E_RNA) where: Base-Base interactions energy: -129.210 where: short stacking energy: -53.249 Base-Backbone interact. energy: -0.120 local terms energy: -57.467355 where: bonds (distance) C4'-P energy: -9.624 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -12.103 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -89.179960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.179960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.179960 (E_RNA) where: Base-Base interactions energy: -43.086 where: short stacking energy: -23.536 Base-Backbone interact. energy: 0.935 local terms energy: -47.028885 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -81.951337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.951337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.951337 (E_RNA) where: Base-Base interactions energy: -33.101 where: short stacking energy: -28.943 Base-Backbone interact. energy: -1.373 local terms energy: -47.477802 where: bonds (distance) C4'-P energy: -9.343 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -10.204 flat angles P-C4'-P energy: -8.904 tors. eta vs tors. theta energy: -4.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -73.138741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.138741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.138741 (E_RNA) where: Base-Base interactions energy: -41.689 where: short stacking energy: -26.393 Base-Backbone interact. energy: -0.242 local terms energy: -31.208589 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: 2.848 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: 6 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -72.656462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.656462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.656462 (E_RNA) where: Base-Base interactions energy: -29.012 where: short stacking energy: -24.185 Base-Backbone interact. energy: -0.058 local terms energy: -43.586602 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -0.977 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: 1, replica: 7 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -226.205260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.205260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.205260 (E_RNA) where: Base-Base interactions energy: -152.020 where: short stacking energy: -67.904 Base-Backbone interact. energy: -0.006 local terms energy: -74.179553 where: bonds (distance) C4'-P energy: -14.763 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -15.799 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -17.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -217.955735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.955735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.955735 (E_RNA) where: Base-Base interactions energy: -137.853 where: short stacking energy: -65.379 Base-Backbone interact. energy: -3.296 local terms energy: -76.807448 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -21.737 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: 398 Temperature: 1.000000 Total energy: -206.123347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.123347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.123347 (E_RNA) where: Base-Base interactions energy: -143.973 where: short stacking energy: -53.012 Base-Backbone interact. energy: -0.251 local terms energy: -61.899380 where: bonds (distance) C4'-P energy: -11.008 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -11.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -201.290311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.290311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.290311 (E_RNA) where: Base-Base interactions energy: -130.607 where: short stacking energy: -53.133 Base-Backbone interact. energy: -0.381 local terms energy: -70.302068 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -12.156 tors. eta vs tors. theta energy: -15.809 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: 5, replica: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -205.686031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.686031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.686031 (E_RNA) where: Base-Base interactions energy: -137.051 where: short stacking energy: -57.268 Base-Backbone interact. energy: -0.011 local terms energy: -68.623559 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -200.033447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.033447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.033447 (E_RNA) where: Base-Base interactions energy: -134.830 where: short stacking energy: -58.500 Base-Backbone interact. energy: -0.001 local terms energy: -65.202302 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -15.470 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -17.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -89.746368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.746368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.746368 (E_RNA) where: Base-Base interactions energy: -37.045 where: short stacking energy: -24.185 Base-Backbone interact. energy: -0.373 local terms energy: -52.327667 where: bonds (distance) C4'-P energy: -7.885 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -8.210 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -78.297227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.297227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.297227 (E_RNA) where: Base-Base interactions energy: -26.206 where: short stacking energy: -25.716 Base-Backbone interact. energy: -0.140 local terms energy: -51.951547 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -10.244 flat angles P-C4'-P energy: -6.676 tors. eta vs tors. theta energy: -7.524 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: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -75.077281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.077281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.077281 (E_RNA) where: Base-Base interactions energy: -27.430 where: short stacking energy: -26.597 Base-Backbone interact. energy: 1.625 local terms energy: -49.272221 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -3.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -87.974932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.974932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.974932 (E_RNA) where: Base-Base interactions energy: -30.999 where: short stacking energy: -30.999 Base-Backbone interact. energy: 0.324 local terms energy: -57.299619 where: bonds (distance) C4'-P energy: -15.301 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -9.407 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -6.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -227.148167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.148167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.148167 (E_RNA) where: Base-Base interactions energy: -147.701 where: short stacking energy: -67.971 Base-Backbone interact. energy: -1.770 local terms energy: -77.677439 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -15.724 flat angles P-C4'-P energy: -13.028 tors. eta vs tors. theta energy: -19.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -205.390421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.390421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.390421 (E_RNA) where: Base-Base interactions energy: -143.991 where: short stacking energy: -50.464 Base-Backbone interact. energy: -0.070 local terms energy: -61.329330 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -16.203 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -11.109 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: 2 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -215.141313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.141313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.141313 (E_RNA) where: Base-Base interactions energy: -137.296 where: short stacking energy: -63.310 Base-Backbone interact. energy: -0.011 local terms energy: -77.833752 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -12.563 tors. eta vs tors. theta energy: -21.343 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: 4, replica: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -207.041535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.041535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.041535 (E_RNA) where: Base-Base interactions energy: -133.907 where: short stacking energy: -61.869 Base-Backbone interact. energy: -0.004 local terms energy: -73.130380 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -11.267 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: 5, replica: 3 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -195.243282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.243282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.243282 (E_RNA) where: Base-Base interactions energy: -132.188 where: short stacking energy: -60.446 Base-Backbone interact. energy: -0.024 local terms energy: -63.031094 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -9.307 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -16.617 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: 5 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -200.812881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.812881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.812881 (E_RNA) where: Base-Base interactions energy: -128.688 where: short stacking energy: -55.963 Base-Backbone interact. energy: -0.128 local terms energy: -71.997549 where: bonds (distance) C4'-P energy: -15.992 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -14.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -85.022158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.022158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.022158 (E_RNA) where: Base-Base interactions energy: -40.531 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.321 local terms energy: -44.169644 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -3.380 tors. eta vs tors. theta energy: -0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -78.985202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.985202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.985202 (E_RNA) where: Base-Base interactions energy: -27.333 where: short stacking energy: -25.091 Base-Backbone interact. energy: -0.607 local terms energy: -51.044590 where: bonds (distance) C4'-P energy: -16.467 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -13.547 flat angles P-C4'-P energy: -11.434 tors. eta vs tors. theta energy: -2.939 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: 10 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -71.717699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.717699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.717699 (E_RNA) where: Base-Base interactions energy: -21.994 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.114 local terms energy: -49.610058 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -10.888 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -67.452012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.452012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.452012 (E_RNA) where: Base-Base interactions energy: -31.001 where: short stacking energy: -21.619 Base-Backbone interact. energy: -0.362 local terms energy: -36.088758 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -3.634 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -220.877410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.877410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.877410 (E_RNA) where: Base-Base interactions energy: -153.339 where: short stacking energy: -54.479 Base-Backbone interact. energy: -0.232 local terms energy: -67.306734 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -12.159 tors. eta vs tors. theta energy: -13.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -215.605199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.605199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.605199 (E_RNA) where: Base-Base interactions energy: -146.911 where: short stacking energy: -58.717 Base-Backbone interact. energy: 0.278 local terms energy: -68.971807 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.809 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -17.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -210.359975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.359975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.359975 (E_RNA) where: Base-Base interactions energy: -139.785 where: short stacking energy: -59.310 Base-Backbone interact. energy: -0.010 local terms energy: -70.565337 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -16.876 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: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -191.807139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.807139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.807139 (E_RNA) where: Base-Base interactions energy: -126.495 where: short stacking energy: -46.882 Base-Backbone interact. energy: 0.263 local terms energy: -65.575246 where: bonds (distance) C4'-P energy: -14.418 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -13.646 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: 5 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -198.786935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.786935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.786935 (E_RNA) where: Base-Base interactions energy: -132.687 where: short stacking energy: -52.059 Base-Backbone interact. energy: -0.063 local terms energy: -66.037700 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -16.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -191.136388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.136388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.136388 (E_RNA) where: Base-Base interactions energy: -130.663 where: short stacking energy: -52.979 Base-Backbone interact. energy: -0.099 local terms energy: -60.374428 where: bonds (distance) C4'-P energy: -12.687 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -11.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -91.382557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.382557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.382557 (E_RNA) where: Base-Base interactions energy: -41.845 where: short stacking energy: -25.811 Base-Backbone interact. energy: 1.193 local terms energy: -50.730539 where: bonds (distance) C4'-P energy: -7.558 bonds (distance) P-C4' energy: -17.542 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -82.606704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.606704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.606704 (E_RNA) where: Base-Base interactions energy: -30.671 where: short stacking energy: -28.032 Base-Backbone interact. energy: -0.165 local terms energy: -51.770851 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -9.798 flat angles C4'-P-C4' energy: -10.462 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -7.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -89.413817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.413817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.413817 (E_RNA) where: Base-Base interactions energy: -41.108 where: short stacking energy: -31.093 Base-Backbone interact. energy: -0.282 local terms energy: -48.024423 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -74.813020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.813020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.813020 (E_RNA) where: Base-Base interactions energy: -31.050 where: short stacking energy: -23.667 Base-Backbone interact. energy: -0.331 local terms energy: -43.431776 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -10.866 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -215.602607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.602607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.602607 (E_RNA) where: Base-Base interactions energy: -148.561 where: short stacking energy: -54.223 Base-Backbone interact. energy: -0.277 local terms energy: -66.764659 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -15.612 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -11.520 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: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -217.099701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.099701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.099701 (E_RNA) where: Base-Base interactions energy: -149.334 where: short stacking energy: -66.765 Base-Backbone interact. energy: 0.588 local terms energy: -68.354009 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -16.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -211.910547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.910547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.910547 (E_RNA) where: Base-Base interactions energy: -145.737 where: short stacking energy: -63.516 Base-Backbone interact. energy: -0.006 local terms energy: -66.166978 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -15.218 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: 5 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -214.422513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.422513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.422513 (E_RNA) where: Base-Base interactions energy: -141.967 where: short stacking energy: -60.790 Base-Backbone interact. energy: -0.025 local terms energy: -72.431102 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -15.389 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -19.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -201.715452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.715452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.715452 (E_RNA) where: Base-Base interactions energy: -137.570 where: short stacking energy: -62.376 Base-Backbone interact. energy: -0.218 local terms energy: -63.927758 where: bonds (distance) C4'-P energy: -8.640 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -192.094293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.094293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.094293 (E_RNA) where: Base-Base interactions energy: -125.339 where: short stacking energy: -53.295 Base-Backbone interact. energy: -0.282 local terms energy: -66.473437 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -13.148 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -15.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -78.359208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.359208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.359208 (E_RNA) where: Base-Base interactions energy: -29.446 where: short stacking energy: -29.446 Base-Backbone interact. energy: -0.030 local terms energy: -48.883274 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -13.315 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -91.392664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.392664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.392664 (E_RNA) where: Base-Base interactions energy: -40.548 where: short stacking energy: -17.209 Base-Backbone interact. energy: -0.267 local terms energy: -50.577667 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -2.984 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: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -86.257062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.257062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.257062 (E_RNA) where: Base-Base interactions energy: -41.792 where: short stacking energy: -24.309 Base-Backbone interact. energy: 0.334 local terms energy: -44.798882 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -71.539637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.539637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.539637 (E_RNA) where: Base-Base interactions energy: -34.591 where: short stacking energy: -34.303 Base-Backbone interact. energy: -0.510 local terms energy: -36.439498 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -10.083 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -227.186143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.186143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.186143 (E_RNA) where: Base-Base interactions energy: -155.033 where: short stacking energy: -55.708 Base-Backbone interact. energy: -0.170 local terms energy: -71.983454 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -16.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -224.791256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.791256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.791256 (E_RNA) where: Base-Base interactions energy: -154.379 where: short stacking energy: -67.377 Base-Backbone interact. energy: -0.003 local terms energy: -70.409371 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -12.511 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -207.200421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.200421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.200421 (E_RNA) where: Base-Base interactions energy: -143.959 where: short stacking energy: -56.293 Base-Backbone interact. energy: -0.017 local terms energy: -63.224612 where: bonds (distance) C4'-P energy: -16.758 bonds (distance) P-C4' energy: -12.824 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -7.578 tors. eta vs tors. theta energy: -14.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -210.683120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.683120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.683120 (E_RNA) where: Base-Base interactions energy: -136.609 where: short stacking energy: -64.974 Base-Backbone interact. energy: -3.182 local terms energy: -70.892896 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -16.654 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -17.943 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: 5, replica: 3 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -204.263348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.263348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.263348 (E_RNA) where: Base-Base interactions energy: -132.787 where: short stacking energy: -55.519 Base-Backbone interact. energy: -0.155 local terms energy: -71.321791 where: bonds (distance) C4'-P energy: -15.213 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -17.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -197.059881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.059881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.059881 (E_RNA) where: Base-Base interactions energy: -136.065 where: short stacking energy: -52.085 Base-Backbone interact. energy: -0.088 local terms energy: -60.907101 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -14.299 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: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -87.523924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.523924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.523924 (E_RNA) where: Base-Base interactions energy: -40.932 where: short stacking energy: -29.576 Base-Backbone interact. energy: -0.183 local terms energy: -46.409022 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -13.922 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -1.912 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: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -80.985967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.985967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.985967 (E_RNA) where: Base-Base interactions energy: -28.500 where: short stacking energy: -28.500 Base-Backbone interact. energy: 0.435 local terms energy: -52.921298 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -17.132 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -78.661698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.661698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.661698 (E_RNA) where: Base-Base interactions energy: -27.056 where: short stacking energy: -20.575 Base-Backbone interact. energy: 0.838 local terms energy: -52.443214 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -12.170 tors. eta vs tors. theta energy: 2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -68.120175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.120175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.120175 (E_RNA) where: Base-Base interactions energy: -20.849 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.065 local terms energy: -47.205855 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -8.327 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -223.434665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.434665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.434665 (E_RNA) where: Base-Base interactions energy: -150.929 where: short stacking energy: -55.712 Base-Backbone interact. energy: -0.269 local terms energy: -72.236968 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -15.618 flat angles P-C4'-P energy: -11.958 tors. eta vs tors. theta energy: -13.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -213.715025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.715025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.715025 (E_RNA) where: Base-Base interactions energy: -135.359 where: short stacking energy: -64.147 Base-Backbone interact. energy: -0.001 local terms energy: -78.355388 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -17.510 flat angles C4'-P-C4' energy: -16.917 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -19.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -207.116557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.116557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.116557 (E_RNA) where: Base-Base interactions energy: -136.848 where: short stacking energy: -60.937 Base-Backbone interact. energy: -0.261 local terms energy: -70.007820 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -201.152572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.152572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.152572 (E_RNA) where: Base-Base interactions energy: -126.332 where: short stacking energy: -58.394 Base-Backbone interact. energy: -0.037 local terms energy: -74.783452 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -16.163 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -19.339 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -202.748355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.748355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.748355 (E_RNA) where: Base-Base interactions energy: -136.609 where: short stacking energy: -51.913 Base-Backbone interact. energy: 0.381 local terms energy: -66.520590 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -12.050 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: 1 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -198.567874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.567874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.567874 (E_RNA) where: Base-Base interactions energy: -127.491 where: short stacking energy: -61.101 Base-Backbone interact. energy: -0.242 local terms energy: -70.835703 where: bonds (distance) C4'-P energy: -13.995 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -10.554 flat angles P-C4'-P energy: -12.566 tors. eta vs tors. theta energy: -19.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -81.157505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.157505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.157505 (E_RNA) where: Base-Base interactions energy: -27.516 where: short stacking energy: -26.490 Base-Backbone interact. energy: -0.413 local terms energy: -53.228271 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -6.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -82.260758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.260758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.260758 (E_RNA) where: Base-Base interactions energy: -42.503 where: short stacking energy: -13.787 Base-Backbone interact. energy: -0.399 local terms energy: -39.359014 where: bonds (distance) C4'-P energy: -9.847 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: 6.012 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: 4 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -83.241650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.241650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.241650 (E_RNA) where: Base-Base interactions energy: -29.898 where: short stacking energy: -29.898 Base-Backbone interact. energy: -0.071 local terms energy: -53.273277 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -4.606 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: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -72.234485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.234485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.234485 (E_RNA) where: Base-Base interactions energy: -22.207 where: short stacking energy: -22.207 Base-Backbone interact. energy: -0.054 local terms energy: -49.973418 where: bonds (distance) C4'-P energy: -16.381 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -10.920 flat angles P-C4'-P energy: -6.580 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -218.408881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.408881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.408881 (E_RNA) where: Base-Base interactions energy: -141.986 where: short stacking energy: -62.649 Base-Backbone interact. energy: -1.063 local terms energy: -75.359591 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -15.826 flat angles P-C4'-P energy: -9.298 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: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -210.306244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.306244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.306244 (E_RNA) where: Base-Base interactions energy: -141.677 where: short stacking energy: -54.317 Base-Backbone interact. energy: -0.045 local terms energy: -68.584786 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -16.204 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -15.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -211.963877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.963877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.963877 (E_RNA) where: Base-Base interactions energy: -141.786 where: short stacking energy: -60.921 Base-Backbone interact. energy: -0.501 local terms energy: -69.677180 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -12.932 tors. eta vs tors. theta energy: -18.187 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: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -212.160166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.160166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.160166 (E_RNA) where: Base-Base interactions energy: -137.628 where: short stacking energy: -62.061 Base-Backbone interact. energy: -0.209 local terms energy: -74.322694 where: bonds (distance) C4'-P energy: -14.296 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -21.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -205.538351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.538351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.538351 (E_RNA) where: Base-Base interactions energy: -132.379 where: short stacking energy: -63.252 Base-Backbone interact. energy: -1.701 local terms energy: -71.457993 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -20.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -201.284202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.284202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.284202 (E_RNA) where: Base-Base interactions energy: -130.688 where: short stacking energy: -53.023 Base-Backbone interact. energy: -0.317 local terms energy: -70.279725 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -17.777 flat angles C4'-P-C4' energy: -13.463 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -16.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -118.488312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.488312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.488312 (E_RNA) where: Base-Base interactions energy: -60.779 where: short stacking energy: -37.063 Base-Backbone interact. energy: -0.126 local terms energy: -57.583956 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -13.168 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -11.568 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: 6 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -84.747897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.747897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.747897 (E_RNA) where: Base-Base interactions energy: -31.337 where: short stacking energy: -28.464 Base-Backbone interact. energy: -1.008 local terms energy: -52.403264 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -9.653 flat angles P-C4'-P energy: -8.195 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: 9, replica: 10 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -70.454829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.454829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.454829 (E_RNA) where: Base-Base interactions energy: -23.209 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.082 local terms energy: -47.164523 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -1.382 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: 4 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -80.352511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.352511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.352511 (E_RNA) where: Base-Base interactions energy: -35.435 where: short stacking energy: -32.870 Base-Backbone interact. energy: -0.265 local terms energy: -44.652795 where: bonds (distance) C4'-P energy: -12.527 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -221.134102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.134102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.134102 (E_RNA) where: Base-Base interactions energy: -142.088 where: short stacking energy: -70.248 Base-Backbone interact. energy: -0.017 local terms energy: -79.028895 where: bonds (distance) C4'-P energy: -15.080 bonds (distance) P-C4' energy: -13.970 flat angles C4'-P-C4' energy: -17.353 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -21.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -210.396028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.396028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.396028 (E_RNA) where: Base-Base interactions energy: -139.316 where: short stacking energy: -60.674 Base-Backbone interact. energy: -0.024 local terms energy: -71.055160 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -13.168 tors. eta vs tors. theta energy: -18.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -206.765281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.765281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.765281 (E_RNA) where: Base-Base interactions energy: -139.066 where: short stacking energy: -61.096 Base-Backbone interact. energy: -0.106 local terms energy: -67.593047 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -17.213 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -17.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -210.697754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.697754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.697754 (E_RNA) where: Base-Base interactions energy: -143.549 where: short stacking energy: -60.326 Base-Backbone interact. energy: -0.422 local terms energy: -66.726941 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -8.926 tors. eta vs tors. theta energy: -15.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -205.181642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.181642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.181642 (E_RNA) where: Base-Base interactions energy: -139.333 where: short stacking energy: -63.009 Base-Backbone interact. energy: 0.428 local terms energy: -66.276852 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -20.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -193.396057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.396057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.396057 (E_RNA) where: Base-Base interactions energy: -127.882 where: short stacking energy: -57.301 Base-Backbone interact. energy: -0.689 local terms energy: -64.824698 where: bonds (distance) C4'-P energy: -13.031 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -14.872 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -20.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -86.430749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.430749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.430749 (E_RNA) where: Base-Base interactions energy: -42.882 where: short stacking energy: -26.195 Base-Backbone interact. energy: 0.052 local terms energy: -43.600994 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -82.205488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.205488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.205488 (E_RNA) where: Base-Base interactions energy: -27.840 where: short stacking energy: -27.541 Base-Backbone interact. energy: 0.106 local terms energy: -54.470937 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -14.896 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -6.485 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: 9, replica: 6 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -86.317218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.317218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.317218 (E_RNA) where: Base-Base interactions energy: -38.245 where: short stacking energy: -34.822 Base-Backbone interact. energy: -0.268 local terms energy: -47.804219 where: bonds (distance) C4'-P energy: -12.297 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -3.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -76.168027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.168027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.168027 (E_RNA) where: Base-Base interactions energy: -32.318 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.859 local terms energy: -42.991002 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -1.333 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: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -227.215035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.215035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.215035 (E_RNA) where: Base-Base interactions energy: -151.468 where: short stacking energy: -65.245 Base-Backbone interact. energy: -0.013 local terms energy: -75.734269 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -16.756 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -12.294 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -216.972370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.972370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.972370 (E_RNA) where: Base-Base interactions energy: -144.796 where: short stacking energy: -68.118 Base-Backbone interact. energy: -0.030 local terms energy: -72.146389 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -16.642 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -20.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -217.373599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.373599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.373599 (E_RNA) where: Base-Base interactions energy: -146.763 where: short stacking energy: -52.937 Base-Backbone interact. energy: -0.097 local terms energy: -70.513309 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -18.609 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: 406 Temperature: 1.050000 Total energy: -204.064531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.064531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.064531 (E_RNA) where: Base-Base interactions energy: -134.385 where: short stacking energy: -54.547 Base-Backbone interact. energy: -0.008 local terms energy: -69.671560 where: bonds (distance) C4'-P energy: -15.476 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -17.835 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: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -204.100988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.100988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.100988 (E_RNA) where: Base-Base interactions energy: -130.527 where: short stacking energy: -60.407 Base-Backbone interact. energy: -1.099 local terms energy: -72.475017 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -9.267 tors. eta vs tors. theta energy: -20.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -203.064406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.064406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.064406 (E_RNA) where: Base-Base interactions energy: -139.737 where: short stacking energy: -64.363 Base-Backbone interact. energy: -0.054 local terms energy: -63.273437 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -10.434 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -87.272286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.272286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.272286 (E_RNA) where: Base-Base interactions energy: -28.477 where: short stacking energy: -27.852 Base-Backbone interact. energy: -0.543 local terms energy: -58.252235 where: bonds (distance) C4'-P energy: -15.484 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -9.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -79.606667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.606667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.606667 (E_RNA) where: Base-Base interactions energy: -30.947 where: short stacking energy: -30.947 Base-Backbone interact. energy: -0.032 local terms energy: -48.627221 where: bonds (distance) C4'-P energy: -12.575 bonds (distance) P-C4' energy: -14.294 flat angles C4'-P-C4' energy: -10.832 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -71.106202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.106202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.106202 (E_RNA) where: Base-Base interactions energy: -26.076 where: short stacking energy: -26.003 Base-Backbone interact. energy: -0.193 local terms energy: -44.837235 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -13.378 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -3.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -77.209738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.209738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.209738 (E_RNA) where: Base-Base interactions energy: -27.125 where: short stacking energy: -26.783 Base-Backbone interact. energy: 0.921 local terms energy: -51.005362 where: bonds (distance) C4'-P energy: -8.097 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -2.605 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: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -209.640765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.640765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.640765 (E_RNA) where: Base-Base interactions energy: -144.600 where: short stacking energy: -62.012 Base-Backbone interact. energy: -0.499 local terms energy: -64.542560 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -14.795 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -17.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -208.620669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.620669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.620669 (E_RNA) where: Base-Base interactions energy: -142.058 where: short stacking energy: -67.629 Base-Backbone interact. energy: -1.485 local terms energy: -65.077999 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -8.207 tors. eta vs tors. theta energy: -19.392 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: 5 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -217.079522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.079522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.079522 (E_RNA) where: Base-Base interactions energy: -142.701 where: short stacking energy: -69.492 Base-Backbone interact. energy: -0.803 local terms energy: -73.575425 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -8.399 tors. eta vs tors. theta energy: -22.466 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: 9 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -209.109573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.109573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.109573 (E_RNA) where: Base-Base interactions energy: -142.466 where: short stacking energy: -61.103 Base-Backbone interact. energy: -0.242 local terms energy: -66.401515 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -14.257 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -7.001 tors. eta vs tors. theta energy: -17.577 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: 407 Temperature: 1.100000 Total energy: -201.212201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.212201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.212201 (E_RNA) where: Base-Base interactions energy: -129.290 where: short stacking energy: -64.000 Base-Backbone interact. energy: -0.001 local terms energy: -71.921413 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -17.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -211.773499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.773499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.773499 (E_RNA) where: Base-Base interactions energy: -139.417 where: short stacking energy: -57.783 Base-Backbone interact. energy: -0.489 local terms energy: -71.867102 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -17.205 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -15.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -85.794226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.794226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.794226 (E_RNA) where: Base-Base interactions energy: -37.305 where: short stacking energy: -26.010 Base-Backbone interact. energy: -0.050 local terms energy: -48.439028 where: bonds (distance) C4'-P energy: -14.306 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -82.829697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.829697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.829697 (E_RNA) where: Base-Base interactions energy: -25.750 where: short stacking energy: -24.294 Base-Backbone interact. energy: 0.155 local terms energy: -57.235671 where: bonds (distance) C4'-P energy: -14.873 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -5.037 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: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -75.565890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.565890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.565890 (E_RNA) where: Base-Base interactions energy: -27.475 where: short stacking energy: -23.860 Base-Backbone interact. energy: 0.186 local terms energy: -48.277272 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -73.789944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.789944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.789944 (E_RNA) where: Base-Base interactions energy: -32.573 where: short stacking energy: -26.534 Base-Backbone interact. energy: -0.995 local terms energy: -40.222316 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -4.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -218.317419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.317419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.317419 (E_RNA) where: Base-Base interactions energy: -137.752 where: short stacking energy: -58.143 Base-Backbone interact. energy: -0.049 local terms energy: -80.515922 where: bonds (distance) C4'-P energy: -16.687 bonds (distance) P-C4' energy: -16.220 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -21.486 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: 2, replica: 1 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -203.733564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.733564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.733564 (E_RNA) where: Base-Base interactions energy: -131.618 where: short stacking energy: -60.725 Base-Backbone interact. energy: -0.720 local terms energy: -71.395418 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -16.816 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -12.745 tors. eta vs tors. theta energy: -15.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -217.982075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.982075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.982075 (E_RNA) where: Base-Base interactions energy: -153.626 where: short stacking energy: -62.521 Base-Backbone interact. energy: -0.580 local terms energy: -63.776285 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -15.159 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -14.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -209.335944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.335944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.335944 (E_RNA) where: Base-Base interactions energy: -139.046 where: short stacking energy: -66.410 Base-Backbone interact. energy: -0.001 local terms energy: -70.288253 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -10.427 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: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -205.907643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.907643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.907643 (E_RNA) where: Base-Base interactions energy: -137.972 where: short stacking energy: -50.625 Base-Backbone interact. energy: -0.467 local terms energy: -67.468747 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -14.331 flat angles C4'-P-C4' energy: -16.816 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -16.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -197.603474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.603474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.603474 (E_RNA) where: Base-Base interactions energy: -129.769 where: short stacking energy: -55.651 Base-Backbone interact. energy: -0.158 local terms energy: -67.676326 where: bonds (distance) C4'-P energy: -12.604 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -16.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -90.802409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.802409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.802409 (E_RNA) where: Base-Base interactions energy: -46.427 where: short stacking energy: -38.769 Base-Backbone interact. energy: -0.050 local terms energy: -44.325158 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -16.486 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.140 tors. eta vs tors. theta energy: -7.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -77.211497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.211497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.211497 (E_RNA) where: Base-Base interactions energy: -22.409 where: short stacking energy: -22.509 Base-Backbone interact. energy: -0.484 local terms energy: -54.319307 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -16.222 flat angles C4'-P-C4' energy: -15.830 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -4.062 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: 6 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -77.361285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.361285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.361285 (E_RNA) where: Base-Base interactions energy: -22.722 where: short stacking energy: -22.546 Base-Backbone interact. energy: -0.094 local terms energy: -54.545480 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -10.983 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -6.475 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: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -74.333860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.333860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.333860 (E_RNA) where: Base-Base interactions energy: -19.210 where: short stacking energy: -19.210 Base-Backbone interact. energy: -0.393 local terms energy: -54.731336 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -12.489 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -217.482720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.482720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.482720 (E_RNA) where: Base-Base interactions energy: -141.827 where: short stacking energy: -60.124 Base-Backbone interact. energy: -0.003 local terms energy: -75.652124 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -17.036 flat angles P-C4'-P energy: -9.906 tors. eta vs tors. theta energy: -18.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -216.870694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.870694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.870694 (E_RNA) where: Base-Base interactions energy: -143.030 where: short stacking energy: -64.802 Base-Backbone interact. energy: -0.054 local terms energy: -73.786021 where: bonds (distance) C4'-P energy: -15.059 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -16.867 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -17.708 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: 3, replica: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -218.008184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.008184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.008184 (E_RNA) where: Base-Base interactions energy: -142.054 where: short stacking energy: -60.950 Base-Backbone interact. energy: -0.001 local terms energy: -75.952932 where: bonds (distance) C4'-P energy: -14.192 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -18.888 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: 7 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -218.851412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.851412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.851412 (E_RNA) where: Base-Base interactions energy: -148.363 where: short stacking energy: -48.349 Base-Backbone interact. energy: -0.233 local terms energy: -70.254762 where: bonds (distance) C4'-P energy: -15.594 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -12.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -202.802683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.802683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.802683 (E_RNA) where: Base-Base interactions energy: -127.756 where: short stacking energy: -57.944 Base-Backbone interact. energy: -2.558 local terms energy: -72.488715 where: bonds (distance) C4'-P energy: -12.096 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -20.705 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: 409 Temperature: 1.150000 Total energy: -197.010514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.010514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.010514 (E_RNA) where: Base-Base interactions energy: -131.269 where: short stacking energy: -59.268 Base-Backbone interact. energy: -0.003 local terms energy: -65.738829 where: bonds (distance) C4'-P energy: -12.004 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -16.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -91.302490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.302490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.302490 (E_RNA) where: Base-Base interactions energy: -34.776 where: short stacking energy: -31.912 Base-Backbone interact. energy: -0.032 local terms energy: -56.494232 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -16.156 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -88.974828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.974828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.974828 (E_RNA) where: Base-Base interactions energy: -31.296 where: short stacking energy: -29.902 Base-Backbone interact. energy: -0.004 local terms energy: -57.674924 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -8.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -80.417654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.417654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.417654 (E_RNA) where: Base-Base interactions energy: -32.803 where: short stacking energy: -29.391 Base-Backbone interact. energy: 0.412 local terms energy: -48.026525 where: bonds (distance) C4'-P energy: -16.794 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -5.419 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -3.488 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: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -69.773065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.773065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.773065 (E_RNA) where: Base-Base interactions energy: -21.622 where: short stacking energy: -21.622 Base-Backbone interact. energy: -0.467 local terms energy: -47.683963 where: bonds (distance) C4'-P energy: -10.001 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -9.790 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -224.089040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.089040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.089040 (E_RNA) where: Base-Base interactions energy: -155.103 where: short stacking energy: -67.016 Base-Backbone interact. energy: 0.406 local terms energy: -69.392452 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -16.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -211.183165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.183165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.183165 (E_RNA) where: Base-Base interactions energy: -146.300 where: short stacking energy: -55.312 Base-Backbone interact. energy: 0.099 local terms energy: -64.983038 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -10.283 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -12.310 tors. eta vs tors. theta energy: -14.828 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: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -219.155751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.155751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.155751 (E_RNA) where: Base-Base interactions energy: -147.861 where: short stacking energy: -57.397 Base-Backbone interact. energy: -0.262 local terms energy: -71.032510 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -11.919 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -207.986783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.986783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.986783 (E_RNA) where: Base-Base interactions energy: -138.048 where: short stacking energy: -56.700 Base-Backbone interact. energy: -0.009 local terms energy: -69.929751 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -13.346 flat angles C4'-P-C4' energy: -16.322 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -17.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -207.631415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.631415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.631415 (E_RNA) where: Base-Base interactions energy: -134.612 where: short stacking energy: -59.084 Base-Backbone interact. energy: -0.021 local terms energy: -72.997901 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -15.639 flat angles C4'-P-C4' energy: -14.287 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -200.078197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.078197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.078197 (E_RNA) where: Base-Base interactions energy: -132.726 where: short stacking energy: -58.095 Base-Backbone interact. energy: -0.199 local terms energy: -67.153374 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -11.202 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -15.889 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: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -80.276631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.276631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.276631 (E_RNA) where: Base-Base interactions energy: -35.450 where: short stacking energy: -31.823 Base-Backbone interact. energy: -0.193 local terms energy: -44.633181 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.373 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -78.597674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.597674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.597674 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -23.716 Base-Backbone interact. energy: -0.161 local terms energy: -48.733351 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -3.106 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: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -80.303412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.303412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.303412 (E_RNA) where: Base-Base interactions energy: -45.132 where: short stacking energy: -29.420 Base-Backbone interact. energy: 0.115 local terms energy: -35.286189 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -14.125 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: 2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -74.001090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.001090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.001090 (E_RNA) where: Base-Base interactions energy: -24.614 where: short stacking energy: -19.315 Base-Backbone interact. energy: 0.967 local terms energy: -50.354097 where: bonds (distance) C4'-P energy: -11.188 bonds (distance) P-C4' energy: -8.767 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -11.718 tors. eta vs tors. theta energy: -4.613 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: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -218.916029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.916029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.916029 (E_RNA) where: Base-Base interactions energy: -145.467 where: short stacking energy: -64.832 Base-Backbone interact. energy: -0.044 local terms energy: -73.405392 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -16.266 flat angles P-C4'-P energy: -11.696 tors. eta vs tors. theta energy: -15.304 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: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -209.700745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.700745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.700745 (E_RNA) where: Base-Base interactions energy: -144.516 where: short stacking energy: -60.998 Base-Backbone interact. energy: -0.043 local terms energy: -65.141555 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -14.003 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -17.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -212.525947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.525947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.525947 (E_RNA) where: Base-Base interactions energy: -136.212 where: short stacking energy: -62.298 Base-Backbone interact. energy: -0.009 local terms energy: -76.304988 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -12.762 tors. eta vs tors. theta energy: -20.795 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: 1 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -209.605450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.605450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.605450 (E_RNA) where: Base-Base interactions energy: -135.012 where: short stacking energy: -64.678 Base-Backbone interact. energy: -0.067 local terms energy: -74.526075 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -11.292 tors. eta vs tors. theta energy: -19.843 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: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -199.693331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.693331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.693331 (E_RNA) where: Base-Base interactions energy: -135.302 where: short stacking energy: -60.255 Base-Backbone interact. energy: -0.037 local terms energy: -64.353851 where: bonds (distance) C4'-P energy: -10.990 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -10.160 tors. eta vs tors. theta energy: -17.528 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: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -194.593446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.593446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.593446 (E_RNA) where: Base-Base interactions energy: -133.777 where: short stacking energy: -53.846 Base-Backbone interact. energy: -0.135 local terms energy: -60.681951 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -14.522 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -14.259 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: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -93.154412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.154412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.154412 (E_RNA) where: Base-Base interactions energy: -40.118 where: short stacking energy: -37.774 Base-Backbone interact. energy: -0.004 local terms energy: -53.032081 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -8.404 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -74.058667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.058667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.058667 (E_RNA) where: Base-Base interactions energy: -35.008 where: short stacking energy: -15.198 Base-Backbone interact. energy: -0.166 local terms energy: -38.884963 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -0.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -99.767515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.767515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.767515 (E_RNA) where: Base-Base interactions energy: -52.092 where: short stacking energy: -29.789 Base-Backbone interact. energy: -0.016 local terms energy: -47.659297 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -8.578 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -7.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -71.059652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.059652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.059652 (E_RNA) where: Base-Base interactions energy: -24.202 where: short stacking energy: -24.202 Base-Backbone interact. energy: -0.185 local terms energy: -46.672809 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -11.502 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -218.256989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.256989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.256989 (E_RNA) where: Base-Base interactions energy: -140.664 where: short stacking energy: -68.431 Base-Backbone interact. energy: -0.000 local terms energy: -77.592405 where: bonds (distance) C4'-P energy: -14.587 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -17.850 flat angles P-C4'-P energy: -13.698 tors. eta vs tors. theta energy: -18.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -215.153936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.153936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.153936 (E_RNA) where: Base-Base interactions energy: -140.913 where: short stacking energy: -64.398 Base-Backbone interact. energy: -0.024 local terms energy: -74.216922 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -12.041 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -21.186 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: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -219.368633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.368633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.368633 (E_RNA) where: Base-Base interactions energy: -146.911 where: short stacking energy: -69.227 Base-Backbone interact. energy: -0.007 local terms energy: -72.450996 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -17.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -212.821566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.821566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.821566 (E_RNA) where: Base-Base interactions energy: -141.228 where: short stacking energy: -61.364 Base-Backbone interact. energy: -0.057 local terms energy: -71.536879 where: bonds (distance) C4'-P energy: -9.719 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: -18.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -200.204188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.204188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.204188 (E_RNA) where: Base-Base interactions energy: -130.342 where: short stacking energy: -51.847 Base-Backbone interact. energy: -0.656 local terms energy: -69.206363 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -17.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -185.718091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.718091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.718091 (E_RNA) where: Base-Base interactions energy: -121.429 where: short stacking energy: -45.301 Base-Backbone interact. energy: -0.118 local terms energy: -64.170718 where: bonds (distance) C4'-P energy: -15.449 bonds (distance) P-C4' energy: -12.082 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -14.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -91.393211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.393211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.393211 (E_RNA) where: Base-Base interactions energy: -33.747 where: short stacking energy: -24.927 Base-Backbone interact. energy: -0.505 local terms energy: -57.141014 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -5.883 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: 6 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -83.278134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.278134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.278134 (E_RNA) where: Base-Base interactions energy: -38.803 where: short stacking energy: -27.471 Base-Backbone interact. energy: -0.773 local terms energy: -43.701884 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -13.139 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -76.345721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.345721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.345721 (E_RNA) where: Base-Base interactions energy: -28.791 where: short stacking energy: -28.791 Base-Backbone interact. energy: -0.029 local terms energy: -47.525873 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -11.478 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -8.035 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -68.456550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.456550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.456550 (E_RNA) where: Base-Base interactions energy: -26.639 where: short stacking energy: -16.926 Base-Backbone interact. energy: -1.114 local terms energy: -40.703601 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -13.443 flat angles P-C4'-P energy: -0.356 tors. eta vs tors. theta energy: 0.973 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: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -223.331972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.331972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.331972 (E_RNA) where: Base-Base interactions energy: -144.383 where: short stacking energy: -70.786 Base-Backbone interact. energy: -1.098 local terms energy: -77.850764 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -21.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -220.446412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.446412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.446412 (E_RNA) where: Base-Base interactions energy: -150.425 where: short stacking energy: -65.928 Base-Backbone interact. energy: -0.008 local terms energy: -70.013835 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -11.375 tors. eta vs tors. theta energy: -18.613 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: 2 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -210.725931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.725931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.725931 (E_RNA) where: Base-Base interactions energy: -135.058 where: short stacking energy: -58.480 Base-Backbone interact. energy: -1.259 local terms energy: -74.409506 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -17.686 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -17.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -210.003938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.003938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.003938 (E_RNA) where: Base-Base interactions energy: -140.304 where: short stacking energy: -61.544 Base-Backbone interact. energy: -0.018 local terms energy: -69.682232 where: bonds (distance) C4'-P energy: -12.986 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -12.184 tors. eta vs tors. theta energy: -18.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -203.034779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.034779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.034779 (E_RNA) where: Base-Base interactions energy: -135.460 where: short stacking energy: -64.009 Base-Backbone interact. energy: -0.216 local terms energy: -67.358696 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -14.394 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -19.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -206.214075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.214075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.214075 (E_RNA) where: Base-Base interactions energy: -133.876 where: short stacking energy: -55.850 Base-Backbone interact. energy: -0.020 local terms energy: -72.317972 where: bonds (distance) C4'-P energy: -13.895 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -12.111 tors. eta vs tors. theta energy: -15.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -87.956697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.956697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.956697 (E_RNA) where: Base-Base interactions energy: -36.269 where: short stacking energy: -36.269 Base-Backbone interact. energy: -0.054 local terms energy: -51.633627 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -13.383 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -5.915 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: 413 Temperature: 1.250000 Total energy: -81.820729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.820729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.820729 (E_RNA) where: Base-Base interactions energy: -34.446 where: short stacking energy: -33.710 Base-Backbone interact. energy: -0.116 local terms energy: -47.259239 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -9.723 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -9.045 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -81.710267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.710267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.710267 (E_RNA) where: Base-Base interactions energy: -28.986 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.106 local terms energy: -52.618388 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -12.637 tors. eta vs tors. theta energy: 0.817 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: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -69.569111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.569111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.569111 (E_RNA) where: Base-Base interactions energy: -24.968 where: short stacking energy: -17.956 Base-Backbone interact. energy: -0.180 local terms energy: -44.421143 where: bonds (distance) C4'-P energy: -11.289 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -0.451 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: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -220.198121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.198121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.198121 (E_RNA) where: Base-Base interactions energy: -143.000 where: short stacking energy: -56.776 Base-Backbone interact. energy: -0.001 local terms energy: -77.197011 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -13.431 tors. eta vs tors. theta energy: -20.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -217.414869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.414869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.414869 (E_RNA) where: Base-Base interactions energy: -139.218 where: short stacking energy: -64.078 Base-Backbone interact. energy: -0.022 local terms energy: -78.175437 where: bonds (distance) C4'-P energy: -12.050 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -12.969 tors. eta vs tors. theta energy: -21.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -214.676509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.676509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.676509 (E_RNA) where: Base-Base interactions energy: -141.797 where: short stacking energy: -66.595 Base-Backbone interact. energy: -0.462 local terms energy: -72.417398 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -15.754 flat angles C4'-P-C4' energy: -14.459 flat angles P-C4'-P energy: -10.264 tors. eta vs tors. theta energy: -19.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -207.795510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.795510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.795510 (E_RNA) where: Base-Base interactions energy: -134.376 where: short stacking energy: -63.999 Base-Backbone interact. energy: -0.001 local terms energy: -73.418096 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -15.434 flat angles P-C4'-P energy: -11.761 tors. eta vs tors. theta energy: -18.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -198.930217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.930217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.930217 (E_RNA) where: Base-Base interactions energy: -127.255 where: short stacking energy: -57.936 Base-Backbone interact. energy: -0.842 local terms energy: -70.833533 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -17.520 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: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -196.331796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.331796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.331796 (E_RNA) where: Base-Base interactions energy: -125.106 where: short stacking energy: -55.932 Base-Backbone interact. energy: -0.051 local terms energy: -71.175680 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -19.822 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: 10 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -104.099925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.099925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.099925 (E_RNA) where: Base-Base interactions energy: -42.427 where: short stacking energy: -42.527 Base-Backbone interact. energy: -0.082 local terms energy: -61.591064 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -17.581 flat angles P-C4'-P energy: -9.077 tors. eta vs tors. theta energy: -8.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -76.996080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.996080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.996080 (E_RNA) where: Base-Base interactions energy: -30.191 where: short stacking energy: -28.626 Base-Backbone interact. energy: 0.836 local terms energy: -47.641124 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -15.644 flat angles C4'-P-C4' energy: -11.044 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -7.869 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: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -80.098646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.098646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.098646 (E_RNA) where: Base-Base interactions energy: -38.269 where: short stacking energy: -17.725 Base-Backbone interact. energy: 1.704 local terms energy: -43.533337 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -12.362 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -82.702952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.702952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.702952 (E_RNA) where: Base-Base interactions energy: -43.178 where: short stacking energy: -28.438 Base-Backbone interact. energy: -0.257 local terms energy: -39.268212 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: 2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -217.417052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.417052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.417052 (E_RNA) where: Base-Base interactions energy: -147.079 where: short stacking energy: -72.990 Base-Backbone interact. energy: -0.017 local terms energy: -70.321457 where: bonds (distance) C4'-P energy: -10.411 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -12.691 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -23.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -211.866225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.866225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.866225 (E_RNA) where: Base-Base interactions energy: -144.213 where: short stacking energy: -64.855 Base-Backbone interact. energy: -0.008 local terms energy: -67.646007 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -16.087 flat angles C4'-P-C4' energy: -13.990 flat angles P-C4'-P energy: -9.857 tors. eta vs tors. theta energy: -15.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -211.897809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.897809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.897809 (E_RNA) where: Base-Base interactions energy: -135.838 where: short stacking energy: -59.068 Base-Backbone interact. energy: -0.668 local terms energy: -75.391655 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -19.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -197.893196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.893196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.893196 (E_RNA) where: Base-Base interactions energy: -123.399 where: short stacking energy: -55.890 Base-Backbone interact. energy: -0.083 local terms energy: -74.410629 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -17.073 flat angles P-C4'-P energy: -10.823 tors. eta vs tors. theta energy: -16.423 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: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -207.859209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.859209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.859209 (E_RNA) where: Base-Base interactions energy: -136.451 where: short stacking energy: -55.745 Base-Backbone interact. energy: -0.435 local terms energy: -70.972751 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -14.778 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -13.360 tors. eta vs tors. theta energy: -18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -194.164635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.164635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.164635 (E_RNA) where: Base-Base interactions energy: -136.140 where: short stacking energy: -49.816 Base-Backbone interact. energy: -0.173 local terms energy: -57.851620 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -12.991 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -11.006 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: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -80.570331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.570331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.570331 (E_RNA) where: Base-Base interactions energy: -29.844 where: short stacking energy: -29.722 Base-Backbone interact. energy: -0.183 local terms energy: -50.543322 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.221 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -89.750642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.750642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.750642 (E_RNA) where: Base-Base interactions energy: -42.087 where: short stacking energy: -34.795 Base-Backbone interact. energy: 0.587 local terms energy: -48.250969 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -11.832 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -6.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -82.313038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.313038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.313038 (E_RNA) where: Base-Base interactions energy: -32.966 where: short stacking energy: -32.240 Base-Backbone interact. energy: -0.084 local terms energy: -49.262482 where: bonds (distance) C4'-P energy: -11.877 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -73.155356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.155356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.155356 (E_RNA) where: Base-Base interactions energy: -22.120 where: short stacking energy: -16.667 Base-Backbone interact. energy: -0.357 local terms energy: -50.678039 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -16.094 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: 1.517 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: 1 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -218.819281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.819281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.819281 (E_RNA) where: Base-Base interactions energy: -144.775 where: short stacking energy: -61.503 Base-Backbone interact. energy: -0.309 local terms energy: -73.734743 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -15.403 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -19.095 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: 416 Temperature: 0.950000 Total energy: -216.598283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.598283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.598283 (E_RNA) where: Base-Base interactions energy: -138.996 where: short stacking energy: -63.582 Base-Backbone interact. energy: -1.026 local terms energy: -76.576267 where: bonds (distance) C4'-P energy: -15.793 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -12.150 tors. eta vs tors. theta energy: -21.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -210.456932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.456932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.456932 (E_RNA) where: Base-Base interactions energy: -144.163 where: short stacking energy: -59.925 Base-Backbone interact. energy: 1.053 local terms energy: -67.346947 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -17.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -202.484186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.484186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.484186 (E_RNA) where: Base-Base interactions energy: -136.434 where: short stacking energy: -47.985 Base-Backbone interact. energy: -0.293 local terms energy: -65.757512 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -10.016 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -12.285 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -202.159916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.159916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.159916 (E_RNA) where: Base-Base interactions energy: -136.051 where: short stacking energy: -57.669 Base-Backbone interact. energy: -0.004 local terms energy: -66.104612 where: bonds (distance) C4'-P energy: -13.184 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -18.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -196.639760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.639760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.639760 (E_RNA) where: Base-Base interactions energy: -137.839 where: short stacking energy: -62.367 Base-Backbone interact. energy: -0.031 local terms energy: -58.770426 where: bonds (distance) C4'-P energy: -9.989 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -103.607885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.607885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.607885 (E_RNA) where: Base-Base interactions energy: -58.005 where: short stacking energy: -27.444 Base-Backbone interact. energy: -0.385 local terms energy: -45.217427 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -10.474 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -0.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -82.078665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.078665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.078665 (E_RNA) where: Base-Base interactions energy: -28.227 where: short stacking energy: -23.558 Base-Backbone interact. energy: -0.039 local terms energy: -53.812588 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -6.211 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: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -69.826378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.826378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.826378 (E_RNA) where: Base-Base interactions energy: -29.246 where: short stacking energy: -17.669 Base-Backbone interact. energy: 3.298 local terms energy: -43.877905 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -10.068 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -71.636781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.636781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.636781 (E_RNA) where: Base-Base interactions energy: -26.792 where: short stacking energy: -17.865 Base-Backbone interact. energy: -0.221 local terms energy: -44.623845 where: bonds (distance) C4'-P energy: -7.016 bonds (distance) P-C4' energy: -16.233 flat angles C4'-P-C4' energy: -10.514 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -227.095199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.095199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.095199 (E_RNA) where: Base-Base interactions energy: -151.447 where: short stacking energy: -66.006 Base-Backbone interact. energy: -2.540 local terms energy: -73.108652 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -19.956 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: 9 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -212.718079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.718079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.718079 (E_RNA) where: Base-Base interactions energy: -141.196 where: short stacking energy: -59.308 Base-Backbone interact. energy: -0.250 local terms energy: -71.272003 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -16.523 flat angles C4'-P-C4' energy: -16.273 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -218.957722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.957722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.957722 (E_RNA) where: Base-Base interactions energy: -142.291 where: short stacking energy: -68.449 Base-Backbone interact. energy: -1.530 local terms energy: -75.136226 where: bonds (distance) C4'-P energy: -14.646 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -9.101 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: 4, replica: 2 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -205.513481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.513481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.513481 (E_RNA) where: Base-Base interactions energy: -140.620 where: short stacking energy: -53.135 Base-Backbone interact. energy: -0.015 local terms energy: -64.878532 where: bonds (distance) C4'-P energy: -7.964 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -10.594 tors. eta vs tors. theta energy: -13.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -207.117033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.117033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.117033 (E_RNA) where: Base-Base interactions energy: -139.613 where: short stacking energy: -64.647 Base-Backbone interact. energy: -0.003 local terms energy: -67.501642 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -15.284 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: 6, replica: 3 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -189.715147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.715147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.715147 (E_RNA) where: Base-Base interactions energy: -128.747 where: short stacking energy: -57.088 Base-Backbone interact. energy: 0.543 local terms energy: -61.511928 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -8.679 flat angles C4'-P-C4' energy: -16.291 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -16.014 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: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -79.383274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.383274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.383274 (E_RNA) where: Base-Base interactions energy: -38.076 where: short stacking energy: -29.989 Base-Backbone interact. energy: 1.236 local terms energy: -42.543948 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -10.672 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -75.020995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.020995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.020995 (E_RNA) where: Base-Base interactions energy: -25.654 where: short stacking energy: -23.312 Base-Backbone interact. energy: -0.311 local terms energy: -49.055943 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -77.843095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.843095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.843095 (E_RNA) where: Base-Base interactions energy: -22.372 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.021 local terms energy: -55.450555 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -16.628 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -1.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -84.987348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.987348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.987348 (E_RNA) where: Base-Base interactions energy: -31.974 where: short stacking energy: -31.974 Base-Backbone interact. energy: -0.025 local terms energy: -52.988570 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -11.209 flat angles P-C4'-P energy: -8.063 tors. eta vs tors. theta energy: -8.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -211.593011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.593011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.593011 (E_RNA) where: Base-Base interactions energy: -139.962 where: short stacking energy: -57.401 Base-Backbone interact. energy: -0.009 local terms energy: -71.622446 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -17.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -213.137737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.137737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.137737 (E_RNA) where: Base-Base interactions energy: -144.678 where: short stacking energy: -56.400 Base-Backbone interact. energy: -0.151 local terms energy: -68.309091 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -16.983 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: 2 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -216.943037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.943037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.943037 (E_RNA) where: Base-Base interactions energy: -136.985 where: short stacking energy: -64.252 Base-Backbone interact. energy: -1.193 local terms energy: -78.765166 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -15.444 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -21.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -200.463920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.463920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.463920 (E_RNA) where: Base-Base interactions energy: -135.224 where: short stacking energy: -57.359 Base-Backbone interact. energy: -0.839 local terms energy: -64.400610 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -15.276 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: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -202.146852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.146852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.146852 (E_RNA) where: Base-Base interactions energy: -133.071 where: short stacking energy: -60.647 Base-Backbone interact. energy: -0.001 local terms energy: -69.075036 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -16.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -195.666485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.666485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.666485 (E_RNA) where: Base-Base interactions energy: -119.886 where: short stacking energy: -54.052 Base-Backbone interact. energy: -0.342 local terms energy: -75.438963 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -15.678 flat angles P-C4'-P energy: -12.464 tors. eta vs tors. theta energy: -16.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -93.355568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.355568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.355568 (E_RNA) where: Base-Base interactions energy: -40.978 where: short stacking energy: -34.965 Base-Backbone interact. energy: -0.207 local terms energy: -52.171141 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -2.285 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: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -88.631144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.631144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.631144 (E_RNA) where: Base-Base interactions energy: -34.317 where: short stacking energy: -32.314 Base-Backbone interact. energy: -0.509 local terms energy: -53.805497 where: bonds (distance) C4'-P energy: -16.605 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -15.316 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -79.504111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.504111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.504111 (E_RNA) where: Base-Base interactions energy: -29.857 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.266 local terms energy: -49.381394 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -12.872 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: 1.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -78.800725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.800725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.800725 (E_RNA) where: Base-Base interactions energy: -30.353 where: short stacking energy: -30.353 Base-Backbone interact. energy: -0.088 local terms energy: -48.359890 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -11.848 flat angles P-C4'-P energy: -4.229 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: 1, replica: 1 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -212.876790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.876790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.876790 (E_RNA) where: Base-Base interactions energy: -142.585 where: short stacking energy: -58.335 Base-Backbone interact. energy: -0.877 local terms energy: -69.414637 where: bonds (distance) C4'-P energy: -14.652 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -17.158 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: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -214.615008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.615008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.615008 (E_RNA) where: Base-Base interactions energy: -143.521 where: short stacking energy: -59.011 Base-Backbone interact. energy: -0.005 local terms energy: -71.089222 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -13.929 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -18.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -212.352570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.352570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.352570 (E_RNA) where: Base-Base interactions energy: -139.774 where: short stacking energy: -61.793 Base-Backbone interact. energy: -0.033 local terms energy: -72.545427 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -192.525577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.525577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.525577 (E_RNA) where: Base-Base interactions energy: -127.959 where: short stacking energy: -61.940 Base-Backbone interact. energy: -0.693 local terms energy: -63.873156 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -12.769 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -13.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -207.532447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.532447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.532447 (E_RNA) where: Base-Base interactions energy: -139.693 where: short stacking energy: -49.047 Base-Backbone interact. energy: -0.206 local terms energy: -67.632967 where: bonds (distance) C4'-P energy: -14.457 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -188.747629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.747629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.747629 (E_RNA) where: Base-Base interactions energy: -132.798 where: short stacking energy: -49.867 Base-Backbone interact. energy: -0.235 local terms energy: -55.714073 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -11.025 flat angles C4'-P-C4' energy: -9.934 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -11.519 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: 8 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -103.686868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.686868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.686868 (E_RNA) where: Base-Base interactions energy: -46.554 where: short stacking energy: -24.662 Base-Backbone interact. energy: 1.756 local terms energy: -58.888832 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -5.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -78.033184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.033184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.033184 (E_RNA) where: Base-Base interactions energy: -28.714 where: short stacking energy: -28.714 Base-Backbone interact. energy: -0.210 local terms energy: -49.109090 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -2.881 tors. eta vs tors. theta energy: -4.618 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: 9, replica: 4 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -81.697264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.697264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.697264 (E_RNA) where: Base-Base interactions energy: -23.201 where: short stacking energy: -23.101 Base-Backbone interact. energy: -0.901 local terms energy: -57.595773 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -11.422 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -6.586 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: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -70.901550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.901550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.901550 (E_RNA) where: Base-Base interactions energy: -29.257 where: short stacking energy: -29.257 Base-Backbone interact. energy: -0.270 local terms energy: -41.374388 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -7.240 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -222.041734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.041734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.041734 (E_RNA) where: Base-Base interactions energy: -140.434 where: short stacking energy: -62.351 Base-Backbone interact. energy: -1.150 local terms energy: -80.458093 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -13.084 tors. eta vs tors. theta energy: -21.140 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: 1 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -208.144828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.144828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.144828 (E_RNA) where: Base-Base interactions energy: -141.356 where: short stacking energy: -63.068 Base-Backbone interact. energy: -1.919 local terms energy: -64.869256 where: bonds (distance) C4'-P energy: -12.049 bonds (distance) P-C4' energy: -9.853 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -16.186 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: 3, replica: 2 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -215.790958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.790958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.790958 (E_RNA) where: Base-Base interactions energy: -139.933 where: short stacking energy: -64.812 Base-Backbone interact. energy: -0.008 local terms energy: -75.849729 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -12.963 flat angles C4'-P-C4' energy: -14.800 flat angles P-C4'-P energy: -11.733 tors. eta vs tors. theta energy: -20.831 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: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -210.165873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.165873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.165873 (E_RNA) where: Base-Base interactions energy: -135.938 where: short stacking energy: -59.247 Base-Backbone interact. energy: -2.338 local terms energy: -71.890109 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -16.518 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -15.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -207.599904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.599904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.599904 (E_RNA) where: Base-Base interactions energy: -142.312 where: short stacking energy: -50.409 Base-Backbone interact. energy: -0.389 local terms energy: -64.899356 where: bonds (distance) C4'-P energy: -10.019 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -10.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -193.536388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.536388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.536388 (E_RNA) where: Base-Base interactions energy: -127.351 where: short stacking energy: -53.382 Base-Backbone interact. energy: -0.050 local terms energy: -66.135531 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -15.137 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: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -82.878356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.878356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.878356 (E_RNA) where: Base-Base interactions energy: -35.874 where: short stacking energy: -28.808 Base-Backbone interact. energy: -0.646 local terms energy: -46.358555 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -75.603353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.603353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.603353 (E_RNA) where: Base-Base interactions energy: -24.740 where: short stacking energy: -13.651 Base-Backbone interact. energy: -1.101 local terms energy: -49.762116 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -78.217694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.217694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.217694 (E_RNA) where: Base-Base interactions energy: -29.320 where: short stacking energy: -24.296 Base-Backbone interact. energy: -0.069 local terms energy: -48.829204 where: bonds (distance) C4'-P energy: -12.506 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -10.884 flat angles P-C4'-P energy: -8.714 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -71.998059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.998059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.998059 (E_RNA) where: Base-Base interactions energy: -28.261 where: short stacking energy: -28.261 Base-Backbone interact. energy: -0.180 local terms energy: -43.556216 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -11.574 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -226.265484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.265484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.265484 (E_RNA) where: Base-Base interactions energy: -146.121 where: short stacking energy: -67.689 Base-Backbone interact. energy: -3.051 local terms energy: -77.093809 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -21.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -212.796529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.796529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.796529 (E_RNA) where: Base-Base interactions energy: -144.644 where: short stacking energy: -68.397 Base-Backbone interact. energy: -0.019 local terms energy: -68.133346 where: bonds (distance) C4'-P energy: -11.441 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -9.029 tors. eta vs tors. theta energy: -18.955 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: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -215.894778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.894778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.894778 (E_RNA) where: Base-Base interactions energy: -144.231 where: short stacking energy: -60.615 Base-Backbone interact. energy: -0.433 local terms energy: -71.231414 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -10.699 flat angles C4'-P-C4' energy: -16.017 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -18.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -214.402621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.402621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.402621 (E_RNA) where: Base-Base interactions energy: -144.264 where: short stacking energy: -49.333 Base-Backbone interact. energy: -0.255 local terms energy: -69.882955 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -14.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -196.972617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.972617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.972617 (E_RNA) where: Base-Base interactions energy: -128.287 where: short stacking energy: -49.938 Base-Backbone interact. energy: 0.345 local terms energy: -69.030469 where: bonds (distance) C4'-P energy: -15.229 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -13.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -193.478324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.478324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.478324 (E_RNA) where: Base-Base interactions energy: -125.509 where: short stacking energy: -61.117 Base-Backbone interact. energy: -0.253 local terms energy: -67.716207 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -14.803 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -8.273 tors. eta vs tors. theta energy: -17.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -134.884685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.884685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.884685 (E_RNA) where: Base-Base interactions energy: -84.077 where: short stacking energy: -41.072 Base-Backbone interact. energy: -0.193 local terms energy: -50.615066 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -76.623799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.623799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.623799 (E_RNA) where: Base-Base interactions energy: -35.074 where: short stacking energy: -29.867 Base-Backbone interact. energy: -0.266 local terms energy: -41.284642 where: bonds (distance) C4'-P energy: -8.944 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: 0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -83.907476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.907476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.907476 (E_RNA) where: Base-Base interactions energy: -40.151 where: short stacking energy: -22.862 Base-Backbone interact. energy: -0.204 local terms energy: -43.552805 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -3.480 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: 10, replica: 4 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -70.310909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.310909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.310909 (E_RNA) where: Base-Base interactions energy: -21.761 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.020 local terms energy: -48.529708 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -3.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -213.256970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.256970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.256970 (E_RNA) where: Base-Base interactions energy: -141.749 where: short stacking energy: -65.038 Base-Backbone interact. energy: -0.592 local terms energy: -70.915625 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -19.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -217.802697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.802697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.802697 (E_RNA) where: Base-Base interactions energy: -138.622 where: short stacking energy: -64.967 Base-Backbone interact. energy: -0.677 local terms energy: -78.503491 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -21.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -215.858816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.858816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.858816 (E_RNA) where: Base-Base interactions energy: -139.503 where: short stacking energy: -66.248 Base-Backbone interact. energy: -2.061 local terms energy: -74.295076 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -19.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -205.336984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.336984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.336984 (E_RNA) where: Base-Base interactions energy: -143.194 where: short stacking energy: -50.988 Base-Backbone interact. energy: 0.506 local terms energy: -62.649206 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -10.899 flat angles C4'-P-C4' energy: -16.710 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -12.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -205.263203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.263203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.263203 (E_RNA) where: Base-Base interactions energy: -134.941 where: short stacking energy: -64.444 Base-Backbone interact. energy: -0.000 local terms energy: -70.321746 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -21.612 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: 422 Temperature: 1.150000 Total energy: -193.249961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.249961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.249961 (E_RNA) where: Base-Base interactions energy: -132.741 where: short stacking energy: -56.339 Base-Backbone interact. energy: -0.880 local terms energy: -59.628884 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -10.481 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -125.133541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.133541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.133541 (E_RNA) where: Base-Base interactions energy: -76.052 where: short stacking energy: -40.149 Base-Backbone interact. energy: -0.081 local terms energy: -49.000503 where: bonds (distance) C4'-P energy: -10.368 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -7.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -83.916568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.916568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.916568 (E_RNA) where: Base-Base interactions energy: -33.333 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.063 local terms energy: -50.520651 where: bonds (distance) C4'-P energy: -14.256 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -5.422 tors. eta vs tors. theta energy: -3.885 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: 4 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -78.825865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.825865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.825865 (E_RNA) where: Base-Base interactions energy: -27.685 where: short stacking energy: -23.610 Base-Backbone interact. energy: -0.286 local terms energy: -50.854497 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -10.381 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -2.993 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: 10, replica: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -69.948467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.948467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.948467 (E_RNA) where: Base-Base interactions energy: -28.683 where: short stacking energy: -18.188 Base-Backbone interact. energy: -0.089 local terms energy: -41.176592 where: bonds (distance) C4'-P energy: -11.405 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -1.255 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: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -223.449254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.449254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.449254 (E_RNA) where: Base-Base interactions energy: -148.944 where: short stacking energy: -67.356 Base-Backbone interact. energy: -0.004 local terms energy: -74.501218 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -17.185 flat angles P-C4'-P energy: -11.505 tors. eta vs tors. theta energy: -18.821 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: 9 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -220.810947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.810947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.810947 (E_RNA) where: Base-Base interactions energy: -146.814 where: short stacking energy: -68.877 Base-Backbone interact. energy: -1.506 local terms energy: -72.491789 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -19.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -214.828592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.828592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.828592 (E_RNA) where: Base-Base interactions energy: -138.065 where: short stacking energy: -64.169 Base-Backbone interact. energy: -0.001 local terms energy: -76.763202 where: bonds (distance) C4'-P energy: -14.038 bonds (distance) P-C4' energy: -15.261 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -13.084 tors. eta vs tors. theta energy: -19.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -206.758637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.758637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.758637 (E_RNA) where: Base-Base interactions energy: -137.196 where: short stacking energy: -68.784 Base-Backbone interact. energy: -0.009 local terms energy: -69.553599 where: bonds (distance) C4'-P energy: -9.256 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -11.752 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -19.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -205.262346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.262346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.262346 (E_RNA) where: Base-Base interactions energy: -145.696 where: short stacking energy: -58.856 Base-Backbone interact. energy: -0.438 local terms energy: -59.128808 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -8.933 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -193.340929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.340929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.340929 (E_RNA) where: Base-Base interactions energy: -125.623 where: short stacking energy: -53.305 Base-Backbone interact. energy: -0.240 local terms energy: -67.478849 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -15.149 flat angles C4'-P-C4' energy: -12.234 flat angles P-C4'-P energy: -12.483 tors. eta vs tors. theta energy: -14.953 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: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -130.813106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.813106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.813106 (E_RNA) where: Base-Base interactions energy: -74.529 where: short stacking energy: -28.609 Base-Backbone interact. energy: -0.542 local terms energy: -55.741513 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -8.991 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -85.698485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.698485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.698485 (E_RNA) where: Base-Base interactions energy: -30.531 where: short stacking energy: -28.556 Base-Backbone interact. energy: 0.448 local terms energy: -55.615085 where: bonds (distance) C4'-P energy: -15.403 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -7.033 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: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -74.704789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.704789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.704789 (E_RNA) where: Base-Base interactions energy: -32.362 where: short stacking energy: -14.877 Base-Backbone interact. energy: 0.819 local terms energy: -43.161745 where: bonds (distance) C4'-P energy: -9.266 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: 4.318 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: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -75.778912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.778912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.778912 (E_RNA) where: Base-Base interactions energy: -29.857 where: short stacking energy: -29.857 Base-Backbone interact. energy: -0.093 local terms energy: -45.829169 where: bonds (distance) C4'-P energy: -10.722 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -2.335 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: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -221.575801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.575801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.575801 (E_RNA) where: Base-Base interactions energy: -142.450 where: short stacking energy: -68.729 Base-Backbone interact. energy: -0.022 local terms energy: -79.103774 where: bonds (distance) C4'-P energy: -15.556 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -20.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -214.699991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.699991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.699991 (E_RNA) where: Base-Base interactions energy: -141.148 where: short stacking energy: -65.025 Base-Backbone interact. energy: -0.001 local terms energy: -73.551028 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -16.227 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -20.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -218.631601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.631601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.631601 (E_RNA) where: Base-Base interactions energy: -149.708 where: short stacking energy: -58.243 Base-Backbone interact. energy: -0.420 local terms energy: -68.503252 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -10.786 tors. eta vs tors. theta energy: -17.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -211.559588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.559588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.559588 (E_RNA) where: Base-Base interactions energy: -136.906 where: short stacking energy: -67.737 Base-Backbone interact. energy: -0.271 local terms energy: -74.382090 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -15.479 flat angles P-C4'-P energy: -9.969 tors. eta vs tors. theta energy: -20.237 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: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -205.946128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.946128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.946128 (E_RNA) where: Base-Base interactions energy: -141.504 where: short stacking energy: -58.913 Base-Backbone interact. energy: -0.022 local terms energy: -64.420127 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -17.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -209.008627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.008627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.008627 (E_RNA) where: Base-Base interactions energy: -144.332 where: short stacking energy: -54.771 Base-Backbone interact. energy: -1.196 local terms energy: -63.480806 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -15.760 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: 424 Temperature: 1.200000 Total energy: -145.238720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.238720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.238720 (E_RNA) where: Base-Base interactions energy: -94.941 where: short stacking energy: -36.542 Base-Backbone interact. energy: 0.414 local terms energy: -50.711472 where: bonds (distance) C4'-P energy: -10.464 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -16.092 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -2.321 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: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -91.259502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.259502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.259502 (E_RNA) where: Base-Base interactions energy: -33.865 where: short stacking energy: -33.954 Base-Backbone interact. energy: -0.017 local terms energy: -57.377405 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -10.133 flat angles P-C4'-P energy: -11.592 tors. eta vs tors. theta energy: -7.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -73.396390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.396390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.396390 (E_RNA) where: Base-Base interactions energy: -23.768 where: short stacking energy: -23.768 Base-Backbone interact. energy: -0.286 local terms energy: -49.342089 where: bonds (distance) C4'-P energy: -16.576 bonds (distance) P-C4' energy: -8.834 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -7.692 tors. eta vs tors. theta energy: -3.848 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: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -93.544664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.544664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.544664 (E_RNA) where: Base-Base interactions energy: -50.535 where: short stacking energy: -28.167 Base-Backbone interact. energy: -0.125 local terms energy: -42.884470 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -15.317 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -3.625 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: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -223.874060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.874060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.874060 (E_RNA) where: Base-Base interactions energy: -147.434 where: short stacking energy: -69.907 Base-Backbone interact. energy: -0.988 local terms energy: -75.452245 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -11.634 tors. eta vs tors. theta energy: -20.997 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: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -219.014677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.014677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.014677 (E_RNA) where: Base-Base interactions energy: -147.448 where: short stacking energy: -70.170 Base-Backbone interact. energy: -0.001 local terms energy: -71.566005 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -15.970 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -22.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -216.747298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.747298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.747298 (E_RNA) where: Base-Base interactions energy: -143.330 where: short stacking energy: -64.904 Base-Backbone interact. energy: -0.005 local terms energy: -73.413102 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -12.697 tors. eta vs tors. theta energy: -17.299 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: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -210.235629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.235629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.235629 (E_RNA) where: Base-Base interactions energy: -138.624 where: short stacking energy: -68.276 Base-Backbone interact. energy: -0.036 local terms energy: -71.575422 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -13.304 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -20.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -203.570533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.570533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.570533 (E_RNA) where: Base-Base interactions energy: -140.281 where: short stacking energy: -59.125 Base-Backbone interact. energy: -0.157 local terms energy: -63.132346 where: bonds (distance) C4'-P energy: -6.639 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -16.095 flat angles P-C4'-P energy: -9.836 tors. eta vs tors. theta energy: -18.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -137.772392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.772392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.772392 (E_RNA) where: Base-Base interactions energy: -80.515 where: short stacking energy: -36.327 Base-Backbone interact. energy: -0.061 local terms energy: -57.196431 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -11.779 flat angles C4'-P-C4' energy: -16.361 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -196.069025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.069025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.069025 (E_RNA) where: Base-Base interactions energy: -136.570 where: short stacking energy: -49.417 Base-Backbone interact. energy: 0.116 local terms energy: -59.615188 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -10.525 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -14.442 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: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -89.865285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.865285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.865285 (E_RNA) where: Base-Base interactions energy: -35.828 where: short stacking energy: -20.812 Base-Backbone interact. energy: -1.445 local terms energy: -52.592426 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -14.916 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -77.369725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.369725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.369725 (E_RNA) where: Base-Base interactions energy: -27.861 where: short stacking energy: -25.588 Base-Backbone interact. energy: 1.846 local terms energy: -51.354659 where: bonds (distance) C4'-P energy: -13.817 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -4.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -71.578279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.578279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.578279 (E_RNA) where: Base-Base interactions energy: -29.399 where: short stacking energy: -18.792 Base-Backbone interact. energy: -0.377 local terms energy: -41.802323 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -8.994 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -1.231 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: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -224.119271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.119271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.119271 (E_RNA) where: Base-Base interactions energy: -141.998 where: short stacking energy: -67.643 Base-Backbone interact. energy: -2.149 local terms energy: -79.971950 where: bonds (distance) C4'-P energy: -14.472 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -21.829 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: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -219.020473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.020473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.020473 (E_RNA) where: Base-Base interactions energy: -143.718 where: short stacking energy: -61.967 Base-Backbone interact. energy: -0.000 local terms energy: -75.302323 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -12.013 tors. eta vs tors. theta energy: -19.730 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: 3 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -210.131045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.131045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.131045 (E_RNA) where: Base-Base interactions energy: -138.976 where: short stacking energy: -67.106 Base-Backbone interact. energy: 0.442 local terms energy: -71.597937 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -16.248 flat angles C4'-P-C4' energy: -14.634 flat angles P-C4'-P energy: -8.454 tors. eta vs tors. theta energy: -19.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -199.995012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.995012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.995012 (E_RNA) where: Base-Base interactions energy: -128.803 where: short stacking energy: -54.322 Base-Backbone interact. energy: -0.004 local terms energy: -71.188796 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -19.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -206.268890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.268890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.268890 (E_RNA) where: Base-Base interactions energy: -132.677 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.001 local terms energy: -73.590774 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -10.232 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -13.082 tors. eta vs tors. theta energy: -20.029 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: 426 Temperature: 1.150000 Total energy: -128.873855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.873855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.873855 (E_RNA) where: Base-Base interactions energy: -77.621 where: short stacking energy: -42.919 Base-Backbone interact. energy: -0.508 local terms energy: -50.744904 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -9.734 flat angles C4'-P-C4' energy: -11.619 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -6.366 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: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -194.596562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.596562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.596562 (E_RNA) where: Base-Base interactions energy: -123.669 where: short stacking energy: -59.728 Base-Backbone interact. energy: -0.602 local terms energy: -70.326052 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -17.591 flat angles P-C4'-P energy: -11.022 tors. eta vs tors. theta energy: -16.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -83.682895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.682895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.682895 (E_RNA) where: Base-Base interactions energy: -30.397 where: short stacking energy: -26.862 Base-Backbone interact. energy: -0.013 local terms energy: -53.272951 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.127 flat angles C4'-P-C4' energy: -10.753 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -10.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -86.456532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.456532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.456532 (E_RNA) where: Base-Base interactions energy: -31.915 where: short stacking energy: -27.703 Base-Backbone interact. energy: -0.349 local terms energy: -54.192482 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -4.757 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: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -75.044096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.044096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.044096 (E_RNA) where: Base-Base interactions energy: -27.427 where: short stacking energy: -27.427 Base-Backbone interact. energy: -0.114 local terms energy: -47.503321 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -0.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -226.168425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.168425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.168425 (E_RNA) where: Base-Base interactions energy: -144.237 where: short stacking energy: -68.937 Base-Backbone interact. energy: -1.682 local terms energy: -80.249451 where: bonds (distance) C4'-P energy: -14.056 bonds (distance) P-C4' energy: -14.810 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -14.617 tors. eta vs tors. theta energy: -21.560 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: 3 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -221.014834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.014834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.014834 (E_RNA) where: Base-Base interactions energy: -148.003 where: short stacking energy: -66.355 Base-Backbone interact. energy: -0.027 local terms energy: -72.984877 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -14.781 flat angles C4'-P-C4' energy: -16.812 flat angles P-C4'-P energy: -13.809 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -221.906983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.906983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.906983 (E_RNA) where: Base-Base interactions energy: -148.496 where: short stacking energy: -67.606 Base-Backbone interact. energy: -0.014 local terms energy: -73.396532 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -17.236 flat angles P-C4'-P energy: -9.937 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: 4, replica: 5 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -214.343521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.343521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.343521 (E_RNA) where: Base-Base interactions energy: -144.026 where: short stacking energy: -66.178 Base-Backbone interact. energy: -0.004 local terms energy: -70.312568 where: bonds (distance) C4'-P energy: -8.465 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -13.695 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -201.438098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.438098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.438098 (E_RNA) where: Base-Base interactions energy: -136.270 where: short stacking energy: -54.281 Base-Backbone interact. energy: -0.121 local terms energy: -65.046934 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -14.715 flat angles P-C4'-P energy: -8.565 tors. eta vs tors. theta energy: -14.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -196.925324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.925324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.925324 (E_RNA) where: Base-Base interactions energy: -128.319 where: short stacking energy: -59.788 Base-Backbone interact. energy: -0.037 local terms energy: -68.569519 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -16.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -145.069478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.069478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.069478 (E_RNA) where: Base-Base interactions energy: -90.683 where: short stacking energy: -36.903 Base-Backbone interact. energy: -0.152 local terms energy: -54.234711 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -4.993 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: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -85.252143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.252143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.252143 (E_RNA) where: Base-Base interactions energy: -33.574 where: short stacking energy: -33.574 Base-Backbone interact. energy: -0.045 local terms energy: -51.633309 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -7.094 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: 8 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -73.461558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.461558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.461558 (E_RNA) where: Base-Base interactions energy: -28.082 where: short stacking energy: -25.850 Base-Backbone interact. energy: -0.151 local terms energy: -45.228371 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -2.422 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: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -76.826074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.826074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.826074 (E_RNA) where: Base-Base interactions energy: -27.453 where: short stacking energy: -26.747 Base-Backbone interact. energy: 0.532 local terms energy: -49.905142 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -8.750 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -218.393648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.393648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.393648 (E_RNA) where: Base-Base interactions energy: -142.071 where: short stacking energy: -68.273 Base-Backbone interact. energy: -0.964 local terms energy: -75.358895 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -14.696 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -19.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -209.403450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.403450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.403450 (E_RNA) where: Base-Base interactions energy: -137.090 where: short stacking energy: -66.978 Base-Backbone interact. energy: -0.428 local terms energy: -71.884522 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -12.935 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -20.240 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: 5 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -221.398662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.398662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.398662 (E_RNA) where: Base-Base interactions energy: -142.913 where: short stacking energy: -65.334 Base-Backbone interact. energy: -0.587 local terms energy: -77.899189 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -13.363 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -214.175509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.175509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.175509 (E_RNA) where: Base-Base interactions energy: -138.252 where: short stacking energy: -63.757 Base-Backbone interact. energy: -0.620 local terms energy: -75.302865 where: bonds (distance) C4'-P energy: -15.142 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -9.382 tors. eta vs tors. theta energy: -20.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -205.848329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.848329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.848329 (E_RNA) where: Base-Base interactions energy: -132.031 where: short stacking energy: -60.231 Base-Backbone interact. energy: -0.007 local terms energy: -73.810239 where: bonds (distance) C4'-P energy: -16.496 bonds (distance) P-C4' energy: -16.005 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -18.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -206.948295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.948295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.948295 (E_RNA) where: Base-Base interactions energy: -135.366 where: short stacking energy: -57.714 Base-Backbone interact. energy: -0.512 local terms energy: -71.070288 where: bonds (distance) C4'-P energy: -13.371 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -17.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -95.730709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.730709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.730709 (E_RNA) where: Base-Base interactions energy: -34.054 where: short stacking energy: -32.092 Base-Backbone interact. energy: -0.200 local terms energy: -61.476535 where: bonds (distance) C4'-P energy: -16.952 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -10.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -135.847332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.847332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.847332 (E_RNA) where: Base-Base interactions energy: -71.737 where: short stacking energy: -39.753 Base-Backbone interact. energy: -0.150 local terms energy: -63.959636 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -9.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -84.690649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.690649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.690649 (E_RNA) where: Base-Base interactions energy: -38.096 where: short stacking energy: -38.096 Base-Backbone interact. energy: -0.003 local terms energy: -46.592179 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -10.888 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -6.656 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: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -72.906867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.906867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.906867 (E_RNA) where: Base-Base interactions energy: -32.328 where: short stacking energy: -30.750 Base-Backbone interact. energy: -0.277 local terms energy: -40.302140 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -12.610 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -3.911 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: 1, replica: 3 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -222.558271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.558271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.558271 (E_RNA) where: Base-Base interactions energy: -148.428 where: short stacking energy: -65.583 Base-Backbone interact. energy: -0.005 local terms energy: -74.125673 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -15.649 flat angles C4'-P-C4' energy: -16.342 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -18.445 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: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -219.694215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.694215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.694215 (E_RNA) where: Base-Base interactions energy: -145.740 where: short stacking energy: -66.024 Base-Backbone interact. energy: -0.014 local terms energy: -73.940814 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.726 flat angles C4'-P-C4' energy: -16.955 flat angles P-C4'-P energy: -11.952 tors. eta vs tors. theta energy: -18.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -208.618744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.618744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.618744 (E_RNA) where: Base-Base interactions energy: -140.488 where: short stacking energy: -52.115 Base-Backbone interact. energy: -0.417 local terms energy: -67.713240 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -15.626 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: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -200.933996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.933996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.933996 (E_RNA) where: Base-Base interactions energy: -132.979 where: short stacking energy: -63.703 Base-Backbone interact. energy: -0.565 local terms energy: -67.389186 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -11.466 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -17.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -213.126965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.126965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.126965 (E_RNA) where: Base-Base interactions energy: -141.684 where: short stacking energy: -63.326 Base-Backbone interact. energy: -0.975 local terms energy: -70.468372 where: bonds (distance) C4'-P energy: -11.248 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -195.783289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.783289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.783289 (E_RNA) where: Base-Base interactions energy: -122.241 where: short stacking energy: -57.804 Base-Backbone interact. energy: -0.068 local terms energy: -73.474414 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -14.758 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -12.074 tors. eta vs tors. theta energy: -17.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -91.997183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.997183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.997183 (E_RNA) where: Base-Base interactions energy: -35.368 where: short stacking energy: -35.368 Base-Backbone interact. energy: -0.018 local terms energy: -56.611012 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -16.480 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -151.684128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.684128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.684128 (E_RNA) where: Base-Base interactions energy: -93.838 where: short stacking energy: -43.903 Base-Backbone interact. energy: 0.395 local terms energy: -58.240842 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -16.220 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -75.933893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.933893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.933893 (E_RNA) where: Base-Base interactions energy: -31.670 where: short stacking energy: -29.346 Base-Backbone interact. energy: -0.197 local terms energy: -44.067497 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -10.989 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -4.213 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: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -75.120221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.120221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.120221 (E_RNA) where: Base-Base interactions energy: -31.602 where: short stacking energy: -30.381 Base-Backbone interact. energy: -0.164 local terms energy: -43.353473 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -231.718814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.718814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.718814 (E_RNA) where: Base-Base interactions energy: -157.365 where: short stacking energy: -61.557 Base-Backbone interact. energy: -0.059 local terms energy: -74.294899 where: bonds (distance) C4'-P energy: -14.497 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -16.487 flat angles P-C4'-P energy: -11.835 tors. eta vs tors. theta energy: -18.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -220.935837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.935837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.935837 (E_RNA) where: Base-Base interactions energy: -146.925 where: short stacking energy: -61.965 Base-Backbone interact. energy: -0.047 local terms energy: -73.963043 where: bonds (distance) C4'-P energy: -9.422 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -11.954 tors. eta vs tors. theta energy: -20.379 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: 2 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -206.780841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.780841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.780841 (E_RNA) where: Base-Base interactions energy: -141.019 where: short stacking energy: -62.997 Base-Backbone interact. energy: -0.199 local terms energy: -65.562100 where: bonds (distance) C4'-P energy: -9.131 bonds (distance) P-C4' energy: -15.117 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -9.631 tors. eta vs tors. theta energy: -18.279 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: 9 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -202.402495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.402495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.402495 (E_RNA) where: Base-Base interactions energy: -136.090 where: short stacking energy: -52.888 Base-Backbone interact. energy: -1.031 local terms energy: -65.281625 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -18.092 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -15.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -206.218210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.218210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.218210 (E_RNA) where: Base-Base interactions energy: -139.257 where: short stacking energy: -61.684 Base-Backbone interact. energy: 0.289 local terms energy: -67.249921 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -186.813124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.813124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.813124 (E_RNA) where: Base-Base interactions energy: -124.756 where: short stacking energy: -47.750 Base-Backbone interact. energy: -0.888 local terms energy: -61.169248 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -11.613 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -15.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -146.174353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.174353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.174353 (E_RNA) where: Base-Base interactions energy: -93.196 where: short stacking energy: -46.135 Base-Backbone interact. energy: -0.167 local terms energy: -52.811465 where: bonds (distance) C4'-P energy: -8.659 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -9.832 flat angles P-C4'-P energy: -9.397 tors. eta vs tors. theta energy: -8.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -86.456833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.456833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.456833 (E_RNA) where: Base-Base interactions energy: -34.354 where: short stacking energy: -29.686 Base-Backbone interact. energy: -0.146 local terms energy: -51.956855 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -9.813 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -5.764 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: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -74.108395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.108395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.108395 (E_RNA) where: Base-Base interactions energy: -27.098 where: short stacking energy: -19.416 Base-Backbone interact. energy: -0.151 local terms energy: -46.858887 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -13.903 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -83.353453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.353453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.353453 (E_RNA) where: Base-Base interactions energy: -35.097 where: short stacking energy: -22.375 Base-Backbone interact. energy: -3.204 local terms energy: -45.052708 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -3.677 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: 3 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -223.358056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.358056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.358056 (E_RNA) where: Base-Base interactions energy: -151.197 where: short stacking energy: -61.865 Base-Backbone interact. energy: -0.003 local terms energy: -72.157099 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -14.965 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -18.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -217.000554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.000554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.000554 (E_RNA) where: Base-Base interactions energy: -144.461 where: short stacking energy: -65.298 Base-Backbone interact. energy: -0.018 local terms energy: -72.521026 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -15.553 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: -19.288 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: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -216.833871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.833871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.833871 (E_RNA) where: Base-Base interactions energy: -139.487 where: short stacking energy: -65.832 Base-Backbone interact. energy: -0.026 local terms energy: -77.320844 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -11.143 tors. eta vs tors. theta energy: -21.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -207.424345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.424345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.424345 (E_RNA) where: Base-Base interactions energy: -139.205 where: short stacking energy: -54.667 Base-Backbone interact. energy: -0.109 local terms energy: -68.110126 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -15.926 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: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -185.109151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.109151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.109151 (E_RNA) where: Base-Base interactions energy: -123.570 where: short stacking energy: -55.595 Base-Backbone interact. energy: 0.001 local terms energy: -61.540097 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -14.922 flat angles C4'-P-C4' energy: -10.168 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -15.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -193.278674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.278674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.278674 (E_RNA) where: Base-Base interactions energy: -123.042 where: short stacking energy: -56.394 Base-Backbone interact. energy: -0.107 local terms energy: -70.129708 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -19.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -88.745379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.745379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.745379 (E_RNA) where: Base-Base interactions energy: -36.887 where: short stacking energy: -35.016 Base-Backbone interact. energy: 1.516 local terms energy: -53.374613 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -96.214507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.214507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.214507 (E_RNA) where: Base-Base interactions energy: -43.148 where: short stacking energy: -28.720 Base-Backbone interact. energy: -0.240 local terms energy: -52.826872 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -12.962 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -80.911499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.911499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.911499 (E_RNA) where: Base-Base interactions energy: -25.356 where: short stacking energy: -25.356 Base-Backbone interact. energy: -0.100 local terms energy: -55.456148 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -12.262 tors. eta vs tors. theta energy: -6.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -68.261838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.261838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.261838 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -25.181 Base-Backbone interact. energy: -0.004 local terms energy: -43.076835 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -9.493 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -4.061 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: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -221.705273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.705273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.705273 (E_RNA) where: Base-Base interactions energy: -145.095 where: short stacking energy: -64.292 Base-Backbone interact. energy: -0.282 local terms energy: -76.328504 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -19.627 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: 3 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -214.248441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.248441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.248441 (E_RNA) where: Base-Base interactions energy: -144.232 where: short stacking energy: -64.811 Base-Backbone interact. energy: -0.001 local terms energy: -70.016092 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -16.155 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: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -214.471942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.471942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.471942 (E_RNA) where: Base-Base interactions energy: -143.579 where: short stacking energy: -64.651 Base-Backbone interact. energy: -0.178 local terms energy: -70.715402 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -14.827 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -19.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -216.213100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.213100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.213100 (E_RNA) where: Base-Base interactions energy: -150.145 where: short stacking energy: -68.341 Base-Backbone interact. energy: -0.001 local terms energy: -66.067664 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -12.645 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -17.708 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: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -201.744810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.744810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.744810 (E_RNA) where: Base-Base interactions energy: -131.665 where: short stacking energy: -61.064 Base-Backbone interact. energy: -0.015 local terms energy: -70.065653 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -13.431 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -11.936 tors. eta vs tors. theta energy: -16.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -187.736566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.736566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.736566 (E_RNA) where: Base-Base interactions energy: -125.517 where: short stacking energy: -51.485 Base-Backbone interact. energy: -0.045 local terms energy: -62.174761 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -15.204 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -8.675 tors. eta vs tors. theta energy: -11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -101.628000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.628000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.628000 (E_RNA) where: Base-Base interactions energy: -47.217 where: short stacking energy: -37.172 Base-Backbone interact. energy: -0.110 local terms energy: -54.300696 where: bonds (distance) C4'-P energy: -15.510 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -3.320 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: 8, replica: 8 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -77.712246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.712246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.712246 (E_RNA) where: Base-Base interactions energy: -29.681 where: short stacking energy: -17.165 Base-Backbone interact. energy: -0.251 local terms energy: -47.780340 where: bonds (distance) C4'-P energy: -16.186 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: 1.201 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: 9, replica: 10 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -69.931596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.931596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.931596 (E_RNA) where: Base-Base interactions energy: -35.689 where: short stacking energy: -26.775 Base-Backbone interact. energy: -0.153 local terms energy: -34.089197 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -8.944 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: 1.527 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: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -76.465429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.465429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.465429 (E_RNA) where: Base-Base interactions energy: -32.406 where: short stacking energy: -32.406 Base-Backbone interact. energy: -0.178 local terms energy: -43.882259 where: bonds (distance) C4'-P energy: -11.557 bonds (distance) P-C4' energy: -12.699 flat angles C4'-P-C4' energy: -10.403 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -3.084 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: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -219.435872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.435872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.435872 (E_RNA) where: Base-Base interactions energy: -140.798 where: short stacking energy: -60.388 Base-Backbone interact. energy: -0.286 local terms energy: -78.351725 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -17.247 flat angles P-C4'-P energy: -13.119 tors. eta vs tors. theta energy: -20.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -215.658291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.658291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.658291 (E_RNA) where: Base-Base interactions energy: -140.957 where: short stacking energy: -64.067 Base-Backbone interact. energy: -1.542 local terms energy: -73.159069 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -19.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -218.735578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.735578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.735578 (E_RNA) where: Base-Base interactions energy: -144.110 where: short stacking energy: -67.064 Base-Backbone interact. energy: -0.003 local terms energy: -74.622627 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -15.686 flat angles C4'-P-C4' energy: -17.298 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -18.471 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: 7 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -192.453270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.453270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.453270 (E_RNA) where: Base-Base interactions energy: -127.908 where: short stacking energy: -59.550 Base-Backbone interact. energy: -0.441 local terms energy: -64.103781 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -12.589 tors. eta vs tors. theta energy: -17.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -203.516175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.516175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.516175 (E_RNA) where: Base-Base interactions energy: -138.614 where: short stacking energy: -60.345 Base-Backbone interact. energy: -0.001 local terms energy: -64.900947 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -12.505 tors. eta vs tors. theta energy: -15.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -179.234722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.234722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.234722 (E_RNA) where: Base-Base interactions energy: -120.681 where: short stacking energy: -44.711 Base-Backbone interact. energy: 0.300 local terms energy: -58.853128 where: bonds (distance) C4'-P energy: -9.137 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -17.431 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -11.541 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: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -79.814548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.814548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.814548 (E_RNA) where: Base-Base interactions energy: -30.812 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.104 local terms energy: -48.898314 where: bonds (distance) C4'-P energy: -9.621 bonds (distance) P-C4' energy: -14.329 flat angles C4'-P-C4' energy: -16.583 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -105.703214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.703214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.703214 (E_RNA) where: Base-Base interactions energy: -54.059 where: short stacking energy: -38.265 Base-Backbone interact. energy: -0.119 local terms energy: -51.524916 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -11.687 flat angles C4'-P-C4' energy: -15.305 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -4.649 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: 10 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -83.150151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.150151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.150151 (E_RNA) where: Base-Base interactions energy: -31.981 where: short stacking energy: -29.283 Base-Backbone interact. energy: 0.496 local terms energy: -51.665734 where: bonds (distance) C4'-P energy: -9.608 bonds (distance) P-C4' energy: -15.045 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -79.572647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.572647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.572647 (E_RNA) where: Base-Base interactions energy: -20.716 where: short stacking energy: -10.914 Base-Backbone interact. energy: -0.487 local terms energy: -58.369509 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -12.380 tors. eta vs tors. theta energy: -3.329 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: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -213.428296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.428296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.428296 (E_RNA) where: Base-Base interactions energy: -139.458 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.001 local terms energy: -73.969364 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -17.647 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: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -213.719924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.719924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.719924 (E_RNA) where: Base-Base interactions energy: -147.118 where: short stacking energy: -60.224 Base-Backbone interact. energy: -0.211 local terms energy: -66.390645 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -15.720 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -13.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -202.227632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.227632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.227632 (E_RNA) where: Base-Base interactions energy: -135.025 where: short stacking energy: -61.589 Base-Backbone interact. energy: -0.009 local terms energy: -67.193854 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -17.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -215.188114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.188114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.188114 (E_RNA) where: Base-Base interactions energy: -144.149 where: short stacking energy: -60.230 Base-Backbone interact. energy: -0.002 local terms energy: -71.038031 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -18.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -163.164705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.164705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.164705 (E_RNA) where: Base-Base interactions energy: -115.302 where: short stacking energy: -59.916 Base-Backbone interact. energy: 2.755 local terms energy: -50.617894 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -191.198043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.198043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.198043 (E_RNA) where: Base-Base interactions energy: -126.964 where: short stacking energy: -48.447 Base-Backbone interact. energy: 1.485 local terms energy: -65.719059 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -12.462 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -96.099837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.099837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.099837 (E_RNA) where: Base-Base interactions energy: -47.074 where: short stacking energy: -41.538 Base-Backbone interact. energy: -0.248 local terms energy: -48.777363 where: bonds (distance) C4'-P energy: -10.544 bonds (distance) P-C4' energy: -11.471 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -85.128794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.128794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.128794 (E_RNA) where: Base-Base interactions energy: -32.351 where: short stacking energy: -32.351 Base-Backbone interact. energy: -0.090 local terms energy: -52.687406 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -3.816 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: 10 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -86.789901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.789901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.789901 (E_RNA) where: Base-Base interactions energy: -42.082 where: short stacking energy: -34.700 Base-Backbone interact. energy: 1.154 local terms energy: -45.862379 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -15.736 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -4.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -76.681460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.681460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.681460 (E_RNA) where: Base-Base interactions energy: -29.616 where: short stacking energy: -13.603 Base-Backbone interact. energy: -0.101 local terms energy: -46.964101 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -0.524 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: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -219.612528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.612528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.612528 (E_RNA) where: Base-Base interactions energy: -139.419 where: short stacking energy: -62.585 Base-Backbone interact. energy: -0.590 local terms energy: -79.603090 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -17.964 flat angles P-C4'-P energy: -12.952 tors. eta vs tors. theta energy: -18.676 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: 2, replica: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -215.007328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.007328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.007328 (E_RNA) where: Base-Base interactions energy: -140.908 where: short stacking energy: -66.785 Base-Backbone interact. energy: -0.055 local terms energy: -74.044619 where: bonds (distance) C4'-P energy: -15.474 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -11.516 tors. eta vs tors. theta energy: -19.183 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: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -209.786382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.786382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.786382 (E_RNA) where: Base-Base interactions energy: -140.424 where: short stacking energy: -60.240 Base-Backbone interact. energy: -0.016 local terms energy: -69.346313 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -10.157 tors. eta vs tors. theta energy: -14.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -204.598322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.598322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.598322 (E_RNA) where: Base-Base interactions energy: -139.519 where: short stacking energy: -57.078 Base-Backbone interact. energy: -0.479 local terms energy: -64.600851 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -171.766903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.766903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.766903 (E_RNA) where: Base-Base interactions energy: -115.294 where: short stacking energy: -37.802 Base-Backbone interact. energy: -0.655 local terms energy: -55.818522 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -10.455 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -9.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -194.003726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.003726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.003726 (E_RNA) where: Base-Base interactions energy: -133.651 where: short stacking energy: -62.306 Base-Backbone interact. energy: -0.042 local terms energy: -60.311012 where: bonds (distance) C4'-P energy: -10.282 bonds (distance) P-C4' energy: -12.259 flat angles C4'-P-C4' energy: -12.069 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -17.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -92.676456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.676456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.676456 (E_RNA) where: Base-Base interactions energy: -50.200 where: short stacking energy: -41.883 Base-Backbone interact. energy: -0.083 local terms energy: -42.393801 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -3.068 tors. eta vs tors. theta energy: -7.754 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: 6 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -72.607904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.607904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.607904 (E_RNA) where: Base-Base interactions energy: -23.282 where: short stacking energy: -22.918 Base-Backbone interact. energy: -1.034 local terms energy: -48.291448 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: 1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -82.129439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.129439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.129439 (E_RNA) where: Base-Base interactions energy: -28.139 where: short stacking energy: -28.139 Base-Backbone interact. energy: -0.007 local terms energy: -53.983558 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.002 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -83.192988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.192988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.192988 (E_RNA) where: Base-Base interactions energy: -31.953 where: short stacking energy: -28.608 Base-Backbone interact. energy: -0.385 local terms energy: -50.854791 where: bonds (distance) C4'-P energy: -7.947 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -219.568655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.568655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.568655 (E_RNA) where: Base-Base interactions energy: -140.055 where: short stacking energy: -67.455 Base-Backbone interact. energy: -0.784 local terms energy: -78.730171 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -17.717 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -21.082 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: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -218.429147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.429147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.429147 (E_RNA) where: Base-Base interactions energy: -142.167 where: short stacking energy: -61.402 Base-Backbone interact. energy: 0.575 local terms energy: -76.837100 where: bonds (distance) C4'-P energy: -16.791 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -18.483 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: 436 Temperature: 1.000000 Total energy: -210.272544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.272544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.272544 (E_RNA) where: Base-Base interactions energy: -141.554 where: short stacking energy: -54.305 Base-Backbone interact. energy: -0.211 local terms energy: -68.507367 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -18.054 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -207.351678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.351678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.351678 (E_RNA) where: Base-Base interactions energy: -132.896 where: short stacking energy: -63.538 Base-Backbone interact. energy: -1.975 local terms energy: -72.480891 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -13.670 flat angles C4'-P-C4' energy: -15.550 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -20.445 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: 9 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -212.173905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.173905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.173905 (E_RNA) where: Base-Base interactions energy: -134.670 where: short stacking energy: -67.171 Base-Backbone interact. energy: -0.000 local terms energy: -77.503502 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -17.147 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -18.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -172.822261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.822261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.822261 (E_RNA) where: Base-Base interactions energy: -109.992 where: short stacking energy: -41.519 Base-Backbone interact. energy: -0.168 local terms energy: -62.661881 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -14.185 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: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -86.022955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.022955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.022955 (E_RNA) where: Base-Base interactions energy: -35.712 where: short stacking energy: -33.678 Base-Backbone interact. energy: -0.007 local terms energy: -50.304443 where: bonds (distance) C4'-P energy: -9.822 bonds (distance) P-C4' energy: -13.277 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -87.570162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.570162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.570162 (E_RNA) where: Base-Base interactions energy: -38.109 where: short stacking energy: -38.109 Base-Backbone interact. energy: -0.272 local terms energy: -49.188885 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -6.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -85.715212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.715212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.715212 (E_RNA) where: Base-Base interactions energy: -47.182 where: short stacking energy: -20.724 Base-Backbone interact. energy: -0.717 local terms energy: -37.815995 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -11.870 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -4.090 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: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -75.034435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.034435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.034435 (E_RNA) where: Base-Base interactions energy: -24.425 where: short stacking energy: -24.425 Base-Backbone interact. energy: -0.202 local terms energy: -50.407440 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -14.239 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -2.365 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: 7 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -221.224242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.224242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.224242 (E_RNA) where: Base-Base interactions energy: -144.838 where: short stacking energy: -73.260 Base-Backbone interact. energy: -0.000 local terms energy: -76.385907 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -22.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -218.671063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.671063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.671063 (E_RNA) where: Base-Base interactions energy: -144.853 where: short stacking energy: -67.139 Base-Backbone interact. energy: -0.016 local terms energy: -73.801845 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -16.549 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -20.953 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: 5 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -210.980129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.980129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.980129 (E_RNA) where: Base-Base interactions energy: -143.356 where: short stacking energy: -63.554 Base-Backbone interact. energy: -1.054 local terms energy: -66.570453 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -12.018 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -8.974 tors. eta vs tors. theta energy: -20.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -208.079291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.079291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.079291 (E_RNA) where: Base-Base interactions energy: -140.860 where: short stacking energy: -65.404 Base-Backbone interact. energy: -0.013 local terms energy: -67.205888 where: bonds (distance) C4'-P energy: -9.007 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -20.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -208.723571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.723571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.723571 (E_RNA) where: Base-Base interactions energy: -139.056 where: short stacking energy: -56.332 Base-Backbone interact. energy: 0.853 local terms energy: -70.520252 where: bonds (distance) C4'-P energy: -12.198 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -14.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -159.291691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.291691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.291691 (E_RNA) where: Base-Base interactions energy: -103.540 where: short stacking energy: -43.918 Base-Backbone interact. energy: -0.327 local terms energy: -55.424486 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -11.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -92.966974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.966974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.966974 (E_RNA) where: Base-Base interactions energy: -48.865 where: short stacking energy: -17.030 Base-Backbone interact. energy: -0.082 local terms energy: -44.020430 where: bonds (distance) C4'-P energy: -9.910 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -12.270 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -1.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -136.061373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.061373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.061373 (E_RNA) where: Base-Base interactions energy: -79.965 where: short stacking energy: -46.819 Base-Backbone interact. energy: -1.001 local terms energy: -55.095396 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -7.887 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -8.077 tors. eta vs tors. theta energy: -12.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -74.993704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.993704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.993704 (E_RNA) where: Base-Base interactions energy: -21.743 where: short stacking energy: -21.743 Base-Backbone interact. energy: -0.180 local terms energy: -53.071020 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -76.249087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.249087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.249087 (E_RNA) where: Base-Base interactions energy: -30.198 where: short stacking energy: -30.198 Base-Backbone interact. energy: -1.083 local terms energy: -44.967906 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -10.509 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: 0.552 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: 3 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -226.155931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.155931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.155931 (E_RNA) where: Base-Base interactions energy: -153.976 where: short stacking energy: -65.958 Base-Backbone interact. energy: 1.253 local terms energy: -73.433059 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -13.191 tors. eta vs tors. theta energy: -18.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -217.644193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.644193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.644193 (E_RNA) where: Base-Base interactions energy: -138.053 where: short stacking energy: -63.118 Base-Backbone interact. energy: -2.130 local terms energy: -77.461591 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -16.820 flat angles P-C4'-P energy: -11.912 tors. eta vs tors. theta energy: -21.153 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: 5 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -207.818560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.818560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.818560 (E_RNA) where: Base-Base interactions energy: -133.945 where: short stacking energy: -65.766 Base-Backbone interact. energy: -2.936 local terms energy: -70.937520 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -11.176 tors. eta vs tors. theta energy: -20.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -201.493043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.493043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.493043 (E_RNA) where: Base-Base interactions energy: -133.501 where: short stacking energy: -57.945 Base-Backbone interact. energy: -0.005 local terms energy: -67.987344 where: bonds (distance) C4'-P energy: -15.665 bonds (distance) P-C4' energy: -14.555 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -6.276 tors. eta vs tors. theta energy: -20.047 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: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -200.910517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.910517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.910517 (E_RNA) where: Base-Base interactions energy: -136.082 where: short stacking energy: -58.384 Base-Backbone interact. energy: 0.417 local terms energy: -65.245447 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -139.376590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.376590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.376590 (E_RNA) where: Base-Base interactions energy: -80.989 where: short stacking energy: -44.527 Base-Backbone interact. energy: -0.133 local terms energy: -58.254375 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -9.829 flat angles C4'-P-C4' energy: -10.382 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -12.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -158.074283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.074283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.074283 (E_RNA) where: Base-Base interactions energy: -104.663 where: short stacking energy: -43.730 Base-Backbone interact. energy: -0.138 local terms energy: -53.272902 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -12.352 tors. eta vs tors. theta energy: -6.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -84.997705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.997705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.997705 (E_RNA) where: Base-Base interactions energy: -32.555 where: short stacking energy: -30.277 Base-Backbone interact. energy: -0.042 local terms energy: -52.400734 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -8.623 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -86.673200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.673200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.673200 (E_RNA) where: Base-Base interactions energy: -37.793 where: short stacking energy: -37.793 Base-Backbone interact. energy: -0.002 local terms energy: -48.878202 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -10.923 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -74.032885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.032885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.032885 (E_RNA) where: Base-Base interactions energy: -24.092 where: short stacking energy: -22.510 Base-Backbone interact. energy: -0.148 local terms energy: -49.792458 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -10.768 flat angles C4'-P-C4' energy: -11.488 flat angles P-C4'-P energy: -14.344 tors. eta vs tors. theta energy: 1.814 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: 1, replica: 3 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -220.420167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.420167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.420167 (E_RNA) where: Base-Base interactions energy: -146.186 where: short stacking energy: -67.187 Base-Backbone interact. energy: -0.011 local terms energy: -74.223457 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -9.661 tors. eta vs tors. theta energy: -21.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -222.097525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.097525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.097525 (E_RNA) where: Base-Base interactions energy: -142.532 where: short stacking energy: -66.685 Base-Backbone interact. energy: -1.880 local terms energy: -77.684850 where: bonds (distance) C4'-P energy: -14.737 bonds (distance) P-C4' energy: -15.654 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -21.007 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: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -209.208925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.208925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.208925 (E_RNA) where: Base-Base interactions energy: -135.839 where: short stacking energy: -65.656 Base-Backbone interact. energy: -0.183 local terms energy: -73.186955 where: bonds (distance) C4'-P energy: -14.497 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -218.258113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.258113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.258113 (E_RNA) where: Base-Base interactions energy: -144.977 where: short stacking energy: -62.264 Base-Backbone interact. energy: -0.655 local terms energy: -72.625620 where: bonds (distance) C4'-P energy: -12.016 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -17.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -206.699208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.699208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.699208 (E_RNA) where: Base-Base interactions energy: -139.665 where: short stacking energy: -50.540 Base-Backbone interact. energy: -0.692 local terms energy: -66.342803 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -141.761891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.761891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.761891 (E_RNA) where: Base-Base interactions energy: -79.332 where: short stacking energy: -45.557 Base-Backbone interact. energy: -0.151 local terms energy: -62.279342 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -10.094 tors. eta vs tors. theta energy: -10.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -123.727894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.727894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.727894 (E_RNA) where: Base-Base interactions energy: -78.556 where: short stacking energy: -36.794 Base-Backbone interact. energy: 0.235 local terms energy: -45.406844 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -11.706 tors. eta vs tors. theta energy: -0.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -84.449228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.449228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.449228 (E_RNA) where: Base-Base interactions energy: -35.022 where: short stacking energy: -35.022 Base-Backbone interact. energy: -0.128 local terms energy: -49.298423 where: bonds (distance) C4'-P energy: -10.258 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -10.591 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -72.801549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.801549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.801549 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -22.327 Base-Backbone interact. energy: -0.006 local terms energy: -50.468889 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -69.893168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.893168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.893168 (E_RNA) where: Base-Base interactions energy: -21.573 where: short stacking energy: -21.573 Base-Backbone interact. energy: -0.244 local terms energy: -48.076123 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -221.316808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.316808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.316808 (E_RNA) where: Base-Base interactions energy: -143.649 where: short stacking energy: -65.778 Base-Backbone interact. energy: -0.759 local terms energy: -76.909257 where: bonds (distance) C4'-P energy: -15.951 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -16.747 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -19.438 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: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -214.332984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.332984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.332984 (E_RNA) where: Base-Base interactions energy: -140.985 where: short stacking energy: -66.523 Base-Backbone interact. energy: -1.544 local terms energy: -71.803718 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -15.286 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -19.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -212.683659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.683659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.683659 (E_RNA) where: Base-Base interactions energy: -142.336 where: short stacking energy: -61.238 Base-Backbone interact. energy: -0.947 local terms energy: -69.400793 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -12.745 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -18.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -192.071720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.071720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.071720 (E_RNA) where: Base-Base interactions energy: -127.798 where: short stacking energy: -60.893 Base-Backbone interact. energy: -0.100 local terms energy: -64.174189 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -14.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -201.346717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.346717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.346717 (E_RNA) where: Base-Base interactions energy: -128.364 where: short stacking energy: -59.144 Base-Backbone interact. energy: -0.505 local terms energy: -72.477830 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -19.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -146.746363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.746363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.746363 (E_RNA) where: Base-Base interactions energy: -95.003 where: short stacking energy: -47.183 Base-Backbone interact. energy: -0.438 local terms energy: -51.304969 where: bonds (distance) C4'-P energy: -12.741 bonds (distance) P-C4' energy: -8.388 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -116.570683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.570683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.570683 (E_RNA) where: Base-Base interactions energy: -60.752 where: short stacking energy: -24.005 Base-Backbone interact. energy: -0.209 local terms energy: -55.609878 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -11.376 tors. eta vs tors. theta energy: -3.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -146.733942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.733942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.733942 (E_RNA) where: Base-Base interactions energy: -82.767 where: short stacking energy: -43.132 Base-Backbone interact. energy: -0.282 local terms energy: -63.685481 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -77.622485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.622485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.622485 (E_RNA) where: Base-Base interactions energy: -25.523 where: short stacking energy: -25.523 Base-Backbone interact. energy: -0.117 local terms energy: -51.982554 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -9.593 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -5.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -71.985475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.985475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.985475 (E_RNA) where: Base-Base interactions energy: -30.799 where: short stacking energy: -30.799 Base-Backbone interact. energy: -0.275 local terms energy: -40.911898 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: 0.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -218.326371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.326371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.326371 (E_RNA) where: Base-Base interactions energy: -140.818 where: short stacking energy: -64.478 Base-Backbone interact. energy: -0.000 local terms energy: -77.508041 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -12.620 tors. eta vs tors. theta energy: -18.240 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: 7 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -220.823372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.823372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.823372 (E_RNA) where: Base-Base interactions energy: -144.677 where: short stacking energy: -61.258 Base-Backbone interact. energy: -0.183 local terms energy: -75.963327 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -16.453 flat angles P-C4'-P energy: -12.854 tors. eta vs tors. theta energy: -19.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -205.715748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.715748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.715748 (E_RNA) where: Base-Base interactions energy: -131.246 where: short stacking energy: -65.331 Base-Backbone interact. energy: -0.006 local terms energy: -74.463953 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -11.344 tors. eta vs tors. theta energy: -19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -208.226156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.226156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.226156 (E_RNA) where: Base-Base interactions energy: -136.499 where: short stacking energy: -60.352 Base-Backbone interact. energy: -0.076 local terms energy: -71.650501 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -17.753 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -197.909258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.909258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.909258 (E_RNA) where: Base-Base interactions energy: -131.356 where: short stacking energy: -56.552 Base-Backbone interact. energy: -0.262 local terms energy: -66.291386 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.443 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -14.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -124.278972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.278972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.278972 (E_RNA) where: Base-Base interactions energy: -66.179 where: short stacking energy: -36.864 Base-Backbone interact. energy: -0.031 local terms energy: -58.068677 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -10.166 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: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -139.492746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.492746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.492746 (E_RNA) where: Base-Base interactions energy: -82.327 where: short stacking energy: -32.101 Base-Backbone interact. energy: -0.183 local terms energy: -56.982289 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -16.096 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -8.488 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: 1 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -135.215925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.215925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.215925 (E_RNA) where: Base-Base interactions energy: -86.644 where: short stacking energy: -33.158 Base-Backbone interact. energy: -0.210 local terms energy: -48.361995 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -11.499 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -2.355 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: 441 Temperature: 1.300000 Total energy: -71.574279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.574279 (E_RNA) where: Base-Base interactions energy: -24.906 where: short stacking energy: -24.906 Base-Backbone interact. energy: -0.024 local terms energy: -46.643683 where: bonds (distance) C4'-P energy: -11.283 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -77.594174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.594174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.594174 (E_RNA) where: Base-Base interactions energy: -33.450 where: short stacking energy: -28.691 Base-Backbone interact. energy: -0.157 local terms energy: -43.987813 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -9.108 flat angles P-C4'-P energy: -9.190 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -213.983005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.983005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.983005 (E_RNA) where: Base-Base interactions energy: -144.832 where: short stacking energy: -62.647 Base-Backbone interact. energy: -0.049 local terms energy: -69.102114 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -18.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -218.823992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.823992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.823992 (E_RNA) where: Base-Base interactions energy: -146.411 where: short stacking energy: -65.336 Base-Backbone interact. energy: 0.527 local terms energy: -72.940054 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -12.039 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -12.707 tors. eta vs tors. theta energy: -19.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -209.339611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.339611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.339611 (E_RNA) where: Base-Base interactions energy: -135.918 where: short stacking energy: -59.705 Base-Backbone interact. energy: -0.013 local terms energy: -73.408234 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -12.188 tors. eta vs tors. theta energy: -16.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -202.731416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.731416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.731416 (E_RNA) where: Base-Base interactions energy: -129.739 where: short stacking energy: -54.674 Base-Backbone interact. energy: -0.355 local terms energy: -72.637481 where: bonds (distance) C4'-P energy: -15.316 bonds (distance) P-C4' energy: -10.823 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -11.944 tors. eta vs tors. theta energy: -18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -200.276816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.276816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.276816 (E_RNA) where: Base-Base interactions energy: -139.100 where: short stacking energy: -54.235 Base-Backbone interact. energy: -0.080 local terms energy: -61.097708 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -14.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -138.995054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.995054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.995054 (E_RNA) where: Base-Base interactions energy: -77.736 where: short stacking energy: -48.153 Base-Backbone interact. energy: -0.251 local terms energy: -61.008631 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -10.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -129.090080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.090080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.090080 (E_RNA) where: Base-Base interactions energy: -73.500 where: short stacking energy: -41.049 Base-Backbone interact. energy: -0.084 local terms energy: -55.506051 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -149.012833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.012833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.012833 (E_RNA) where: Base-Base interactions energy: -88.209 where: short stacking energy: -52.937 Base-Backbone interact. energy: 1.774 local terms energy: -62.577316 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -16.917 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -9.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -82.219539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.219539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.219539 (E_RNA) where: Base-Base interactions energy: -26.370 where: short stacking energy: -26.370 Base-Backbone interact. energy: -0.197 local terms energy: -55.652215 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -5.769 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: 8 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -70.679942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.679942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.679942 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -24.800 Base-Backbone interact. energy: -0.039 local terms energy: -45.841364 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -4.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -222.836085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.836085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.836085 (E_RNA) where: Base-Base interactions energy: -150.362 where: short stacking energy: -67.144 Base-Backbone interact. energy: 1.625 local terms energy: -74.098151 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -13.229 tors. eta vs tors. theta energy: -18.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -212.766238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.766238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.766238 (E_RNA) where: Base-Base interactions energy: -146.142 where: short stacking energy: -56.273 Base-Backbone interact. energy: -0.009 local terms energy: -66.614736 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -16.518 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -12.321 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: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -209.443666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.443666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.443666 (E_RNA) where: Base-Base interactions energy: -134.862 where: short stacking energy: -61.996 Base-Backbone interact. energy: -0.116 local terms energy: -74.465481 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -19.863 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: 9 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -197.657311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.657311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.657311 (E_RNA) where: Base-Base interactions energy: -134.263 where: short stacking energy: -57.927 Base-Backbone interact. energy: -0.265 local terms energy: -63.129312 where: bonds (distance) C4'-P energy: -10.954 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -16.762 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -207.239209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.239209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.239209 (E_RNA) where: Base-Base interactions energy: -137.523 where: short stacking energy: -55.305 Base-Backbone interact. energy: -0.063 local terms energy: -69.652554 where: bonds (distance) C4'-P energy: -15.615 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -14.751 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -15.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -137.912307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.912307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.912307 (E_RNA) where: Base-Base interactions energy: -73.809 where: short stacking energy: -32.005 Base-Backbone interact. energy: -0.187 local terms energy: -63.916047 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -15.795 flat angles C4'-P-C4' energy: -17.530 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -10.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -99.195364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.195364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.195364 (E_RNA) where: Base-Base interactions energy: -48.726 where: short stacking energy: -24.745 Base-Backbone interact. energy: -0.085 local terms energy: -50.384848 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -10.303 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -137.966789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.966789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.966789 (E_RNA) where: Base-Base interactions energy: -79.409 where: short stacking energy: -38.618 Base-Backbone interact. energy: -0.166 local terms energy: -58.391933 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -10.947 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: 443 Temperature: 1.300000 Total energy: -83.328654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.328654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.328654 (E_RNA) where: Base-Base interactions energy: -36.475 where: short stacking energy: -33.991 Base-Backbone interact. energy: -0.018 local terms energy: -46.836058 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -8.164 tors. eta vs tors. theta energy: -6.291 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: 8 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -67.515604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.515604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.515604 (E_RNA) where: Base-Base interactions energy: -17.358 where: short stacking energy: -17.358 Base-Backbone interact. energy: -0.095 local terms energy: -50.062472 where: bonds (distance) C4'-P energy: -15.081 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -12.102 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -223.110835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.110835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.110835 (E_RNA) where: Base-Base interactions energy: -147.573 where: short stacking energy: -69.947 Base-Backbone interact. energy: -0.040 local terms energy: -75.498674 where: bonds (distance) C4'-P energy: -14.440 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.911 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -21.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -220.182610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.182610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.182610 (E_RNA) where: Base-Base interactions energy: -142.872 where: short stacking energy: -63.926 Base-Backbone interact. energy: -1.429 local terms energy: -75.881687 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -16.097 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -20.712 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: 7 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -209.892763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.892763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.892763 (E_RNA) where: Base-Base interactions energy: -138.397 where: short stacking energy: -69.005 Base-Backbone interact. energy: -0.415 local terms energy: -71.080527 where: bonds (distance) C4'-P energy: -10.998 bonds (distance) P-C4' energy: -14.682 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -10.430 tors. eta vs tors. theta energy: -20.227 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: 9 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -205.931747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.931747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.931747 (E_RNA) where: Base-Base interactions energy: -132.301 where: short stacking energy: -62.846 Base-Backbone interact. energy: -0.004 local terms energy: -73.626659 where: bonds (distance) C4'-P energy: -12.820 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -12.136 tors. eta vs tors. theta energy: -19.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -194.911528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.911528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.911528 (E_RNA) where: Base-Base interactions energy: -136.391 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.093 local terms energy: -58.427257 where: bonds (distance) C4'-P energy: -7.972 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -15.750 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: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -152.367503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.367503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.367503 (E_RNA) where: Base-Base interactions energy: -96.587 where: short stacking energy: -40.416 Base-Backbone interact. energy: -0.458 local terms energy: -55.321874 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -10.071 tors. eta vs tors. theta energy: -10.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -133.142494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.142494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.142494 (E_RNA) where: Base-Base interactions energy: -76.747 where: short stacking energy: -39.771 Base-Backbone interact. energy: -0.180 local terms energy: -56.215822 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -84.420691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.420691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.420691 (E_RNA) where: Base-Base interactions energy: -38.850 where: short stacking energy: -34.671 Base-Backbone interact. energy: -0.011 local terms energy: -45.559806 where: bonds (distance) C4'-P energy: -10.469 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -94.198631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.198631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.198631 (E_RNA) where: Base-Base interactions energy: -39.510 where: short stacking energy: -37.281 Base-Backbone interact. energy: -0.536 local terms energy: -54.152316 where: bonds (distance) C4'-P energy: -7.962 bonds (distance) P-C4' energy: -12.320 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -11.129 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -84.507416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.507416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.507416 (E_RNA) where: Base-Base interactions energy: -32.819 where: short stacking energy: -32.819 Base-Backbone interact. energy: -0.116 local terms energy: -51.572243 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -15.538 flat angles C4'-P-C4' energy: -13.195 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -217.643511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.643511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.643511 (E_RNA) where: Base-Base interactions energy: -140.274 where: short stacking energy: -63.119 Base-Backbone interact. energy: -2.671 local terms energy: -74.698480 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -21.825 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: 2, replica: 7 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -212.432027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.432027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.432027 (E_RNA) where: Base-Base interactions energy: -138.360 where: short stacking energy: -64.143 Base-Backbone interact. energy: -0.353 local terms energy: -73.719480 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -16.514 flat angles P-C4'-P energy: -12.162 tors. eta vs tors. theta energy: -18.201 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: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -212.188331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.188331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.188331 (E_RNA) where: Base-Base interactions energy: -132.357 where: short stacking energy: -63.800 Base-Backbone interact. energy: -0.439 local terms energy: -79.392324 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -22.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -209.266543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.266543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.266543 (E_RNA) where: Base-Base interactions energy: -138.961 where: short stacking energy: -65.858 Base-Backbone interact. energy: -0.005 local terms energy: -70.299712 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -20.149 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: 5 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -201.060141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.060141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.060141 (E_RNA) where: Base-Base interactions energy: -129.971 where: short stacking energy: -66.322 Base-Backbone interact. energy: -0.195 local terms energy: -70.894243 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -14.640 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -11.902 tors. eta vs tors. theta energy: -18.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -153.926025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.926025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.926025 (E_RNA) where: Base-Base interactions energy: -94.682 where: short stacking energy: -49.594 Base-Backbone interact. energy: -0.418 local terms energy: -58.826198 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -14.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -138.332824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.332824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.332824 (E_RNA) where: Base-Base interactions energy: -82.440 where: short stacking energy: -45.771 Base-Backbone interact. energy: -0.046 local terms energy: -55.846089 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -9.966 flat angles P-C4'-P energy: -11.487 tors. eta vs tors. theta energy: -12.816 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: 8 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -86.274362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.274362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.274362 (E_RNA) where: Base-Base interactions energy: -39.772 where: short stacking energy: -34.445 Base-Backbone interact. energy: -0.114 local terms energy: -46.388704 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -10.532 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -82.159763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.159763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.159763 (E_RNA) where: Base-Base interactions energy: -26.475 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.813 local terms energy: -54.871718 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -11.403 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -4.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -79.000701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.000701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.000701 (E_RNA) where: Base-Base interactions energy: -27.954 where: short stacking energy: -20.279 Base-Backbone interact. energy: -0.115 local terms energy: -50.931436 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -12.381 flat angles P-C4'-P energy: -6.464 tors. eta vs tors. theta energy: -1.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -226.121053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.121053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.121053 (E_RNA) where: Base-Base interactions energy: -151.466 where: short stacking energy: -71.069 Base-Backbone interact. energy: -0.128 local terms energy: -74.526877 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -17.221 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -19.359 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: 7 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -230.594303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.594303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.594303 (E_RNA) where: Base-Base interactions energy: -155.469 where: short stacking energy: -66.447 Base-Backbone interact. energy: -0.017 local terms energy: -75.108714 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -15.027 tors. eta vs tors. theta energy: -17.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -214.814762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.814762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.814762 (E_RNA) where: Base-Base interactions energy: -141.535 where: short stacking energy: -65.130 Base-Backbone interact. energy: 0.005 local terms energy: -73.284366 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -12.919 tors. eta vs tors. theta energy: -19.495 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: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -212.833090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.833090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.833090 (E_RNA) where: Base-Base interactions energy: -140.362 where: short stacking energy: -66.626 Base-Backbone interact. energy: -2.756 local terms energy: -69.715777 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -14.292 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -22.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -205.938150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.938150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.938150 (E_RNA) where: Base-Base interactions energy: -133.612 where: short stacking energy: -58.689 Base-Backbone interact. energy: -0.324 local terms energy: -72.002234 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -14.075 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -15.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -144.877386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.877386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.877386 (E_RNA) where: Base-Base interactions energy: -79.825 where: short stacking energy: -49.866 Base-Backbone interact. energy: 0.268 local terms energy: -65.320631 where: bonds (distance) C4'-P energy: -11.805 bonds (distance) P-C4' energy: -11.010 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -16.524 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: 7, replica: 8 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -93.747735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.747735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.747735 (E_RNA) where: Base-Base interactions energy: -39.376 where: short stacking energy: -35.654 Base-Backbone interact. energy: 1.332 local terms energy: -55.703992 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -11.996 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -7.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -114.955816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.955816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.955816 (E_RNA) where: Base-Base interactions energy: -63.361 where: short stacking energy: -28.591 Base-Backbone interact. energy: -0.100 local terms energy: -51.495709 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -71.949754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.949754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.949754 (E_RNA) where: Base-Base interactions energy: -25.249 where: short stacking energy: -25.249 Base-Backbone interact. energy: -0.007 local terms energy: -46.693933 where: bonds (distance) C4'-P energy: -10.932 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -80.697404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.697404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.697404 (E_RNA) where: Base-Base interactions energy: -31.633 where: short stacking energy: -32.533 Base-Backbone interact. energy: -0.124 local terms energy: -48.940867 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -5.929 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: 3 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -216.495526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.495526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.495526 (E_RNA) where: Base-Base interactions energy: -138.861 where: short stacking energy: -64.854 Base-Backbone interact. energy: -1.127 local terms energy: -76.506862 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -14.394 flat angles C4'-P-C4' energy: -16.619 flat angles P-C4'-P energy: -12.907 tors. eta vs tors. theta energy: -19.240 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -224.450547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.450547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.450547 (E_RNA) where: Base-Base interactions energy: -153.699 where: short stacking energy: -69.679 Base-Backbone interact. energy: -0.030 local terms energy: -70.721350 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -16.911 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -19.642 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: 7 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -212.692373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.692373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.692373 (E_RNA) where: Base-Base interactions energy: -135.247 where: short stacking energy: -58.839 Base-Backbone interact. energy: -0.134 local terms energy: -77.310993 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -14.242 tors. eta vs tors. theta energy: -19.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -207.611580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.611580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.611580 (E_RNA) where: Base-Base interactions energy: -137.363 where: short stacking energy: -59.484 Base-Backbone interact. energy: -0.109 local terms energy: -70.140022 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -16.633 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -17.229 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: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -201.928997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.928997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.928997 (E_RNA) where: Base-Base interactions energy: -136.709 where: short stacking energy: -62.406 Base-Backbone interact. energy: 0.059 local terms energy: -65.279341 where: bonds (distance) C4'-P energy: -10.460 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -20.555 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: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -141.456966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.456966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.456966 (E_RNA) where: Base-Base interactions energy: -82.081 where: short stacking energy: -38.290 Base-Backbone interact. energy: 1.268 local terms energy: -60.643594 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -9.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -82.318971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.318971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.318971 (E_RNA) where: Base-Base interactions energy: -30.902 where: short stacking energy: -26.117 Base-Backbone interact. energy: -0.137 local terms energy: -51.280049 where: bonds (distance) C4'-P energy: -15.955 bonds (distance) P-C4' energy: -14.888 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -3.231 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: 8, replica: 10 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -90.565013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.565013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.565013 (E_RNA) where: Base-Base interactions energy: -33.289 where: short stacking energy: -33.289 Base-Backbone interact. energy: -0.057 local terms energy: -57.219256 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -11.228 flat angles C4'-P-C4' energy: -15.167 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -82.033005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.033005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.033005 (E_RNA) where: Base-Base interactions energy: -40.051 where: short stacking energy: -22.462 Base-Backbone interact. energy: -0.357 local terms energy: -41.624569 where: bonds (distance) C4'-P energy: -9.893 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: 4.033 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: 6 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -73.310824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.310824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.310824 (E_RNA) where: Base-Base interactions energy: -29.110 where: short stacking energy: -29.110 Base-Backbone interact. energy: -0.021 local terms energy: -44.179946 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -6.161 tors. eta vs tors. theta energy: -5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -225.755173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.755173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.755173 (E_RNA) where: Base-Base interactions energy: -153.328 where: short stacking energy: -68.913 Base-Backbone interact. energy: -0.046 local terms energy: -72.381130 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -10.732 tors. eta vs tors. theta energy: -17.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -219.960958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.960958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.960958 (E_RNA) where: Base-Base interactions energy: -143.857 where: short stacking energy: -68.796 Base-Backbone interact. energy: 0.506 local terms energy: -76.609608 where: bonds (distance) C4'-P energy: -11.555 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -16.674 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -21.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -216.111495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.111495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.111495 (E_RNA) where: Base-Base interactions energy: -135.999 where: short stacking energy: -64.970 Base-Backbone interact. energy: -0.869 local terms energy: -79.243354 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -15.824 flat angles P-C4'-P energy: -12.623 tors. eta vs tors. theta energy: -18.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -211.745475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.745475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.745475 (E_RNA) where: Base-Base interactions energy: -145.282 where: short stacking energy: -54.126 Base-Backbone interact. energy: -0.081 local terms energy: -66.382844 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -9.210 tors. eta vs tors. theta energy: -14.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -216.744500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.744500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.744500 (E_RNA) where: Base-Base interactions energy: -150.566 where: short stacking energy: -62.934 Base-Backbone interact. energy: -0.012 local terms energy: -66.166191 where: bonds (distance) C4'-P energy: -13.666 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -16.214 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: 448 Temperature: 1.150000 Total energy: -140.371382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.371382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.371382 (E_RNA) where: Base-Base interactions energy: -91.090 where: short stacking energy: -46.504 Base-Backbone interact. energy: -0.516 local terms energy: -48.765601 where: bonds (distance) C4'-P energy: -7.860 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.667 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -89.856192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.856192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.856192 (E_RNA) where: Base-Base interactions energy: -39.298 where: short stacking energy: -38.127 Base-Backbone interact. energy: -0.919 local terms energy: -49.639463 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -5.667 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: 8 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -93.128884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.128884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.128884 (E_RNA) where: Base-Base interactions energy: -43.660 where: short stacking energy: -41.540 Base-Backbone interact. energy: -0.190 local terms energy: -49.279535 where: bonds (distance) C4'-P energy: -6.712 bonds (distance) P-C4' energy: -6.231 flat angles C4'-P-C4' energy: -17.339 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -9.360 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: 6 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -75.373725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.373725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.373725 (E_RNA) where: Base-Base interactions energy: -28.842 where: short stacking energy: -28.842 Base-Backbone interact. energy: -0.096 local terms energy: -46.436051 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -1.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -68.481716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.481716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.481716 (E_RNA) where: Base-Base interactions energy: -21.547 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.330 local terms energy: -46.604914 where: bonds (distance) C4'-P energy: -13.727 bonds (distance) P-C4' energy: -14.508 flat angles C4'-P-C4' energy: -10.227 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -230.547188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.547188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.547188 (E_RNA) where: Base-Base interactions energy: -154.210 where: short stacking energy: -66.889 Base-Backbone interact. energy: -0.933 local terms energy: -75.403861 where: bonds (distance) C4'-P energy: -14.174 bonds (distance) P-C4' energy: -16.723 flat angles C4'-P-C4' energy: -16.252 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -17.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -210.128094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.128094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.128094 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -65.111 Base-Backbone interact. energy: -0.655 local terms energy: -74.933065 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -17.483 flat angles P-C4'-P energy: -9.811 tors. eta vs tors. theta energy: -17.764 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: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -209.447319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.447319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.447319 (E_RNA) where: Base-Base interactions energy: -135.747 where: short stacking energy: -59.471 Base-Backbone interact. energy: -1.063 local terms energy: -72.636969 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -16.671 flat angles P-C4'-P energy: -11.278 tors. eta vs tors. theta energy: -17.642 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: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -207.964184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.964184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.964184 (E_RNA) where: Base-Base interactions energy: -137.155 where: short stacking energy: -61.859 Base-Backbone interact. energy: -0.002 local terms energy: -70.807388 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -18.060 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: 7 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -198.123800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.123800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.123800 (E_RNA) where: Base-Base interactions energy: -130.319 where: short stacking energy: -52.172 Base-Backbone interact. energy: -0.183 local terms energy: -67.622137 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -16.470 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -16.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -133.541923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.541923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.541923 (E_RNA) where: Base-Base interactions energy: -81.727 where: short stacking energy: -38.988 Base-Backbone interact. energy: -0.137 local terms energy: -51.678404 where: bonds (distance) C4'-P energy: -10.527 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -12.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -105.269295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.269295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.269295 (E_RNA) where: Base-Base interactions energy: -52.935 where: short stacking energy: -22.740 Base-Backbone interact. energy: -0.090 local terms energy: -52.244077 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -7.780 tors. eta vs tors. theta energy: -0.568 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: 6 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -81.194588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.194588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.194588 (E_RNA) where: Base-Base interactions energy: -37.305 where: short stacking energy: -22.436 Base-Backbone interact. energy: 0.455 local terms energy: -44.344508 where: bonds (distance) C4'-P energy: -7.301 bonds (distance) P-C4' energy: -18.240 flat angles C4'-P-C4' energy: -11.653 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: 2.065 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: 8 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -76.443206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.443206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.443206 (E_RNA) where: Base-Base interactions energy: -28.840 where: short stacking energy: -23.120 Base-Backbone interact. energy: -0.138 local terms energy: -47.465005 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -8.580 flat angles C4'-P-C4' energy: -16.522 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -4.832 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: 4 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -72.405474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.405474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.405474 (E_RNA) where: Base-Base interactions energy: -24.299 where: short stacking energy: -20.504 Base-Backbone interact. energy: -0.078 local terms energy: -48.028455 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -12.462 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -215.112198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.112198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.112198 (E_RNA) where: Base-Base interactions energy: -139.932 where: short stacking energy: -67.982 Base-Backbone interact. energy: -0.003 local terms energy: -75.177456 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -17.363 flat angles P-C4'-P energy: -12.159 tors. eta vs tors. theta energy: -18.449 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -214.751726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.751726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.751726 (E_RNA) where: Base-Base interactions energy: -139.211 where: short stacking energy: -63.987 Base-Backbone interact. energy: -0.437 local terms energy: -75.102877 where: bonds (distance) C4'-P energy: -15.395 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -8.967 tors. eta vs tors. theta energy: -21.360 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: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -206.703921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.703921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.703921 (E_RNA) where: Base-Base interactions energy: -137.963 where: short stacking energy: -59.172 Base-Backbone interact. energy: 0.192 local terms energy: -68.932864 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -11.605 tors. eta vs tors. theta energy: -15.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -216.051743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.051743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.051743 (E_RNA) where: Base-Base interactions energy: -145.568 where: short stacking energy: -64.347 Base-Backbone interact. energy: -0.004 local terms energy: -70.479573 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -13.450 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -9.730 tors. eta vs tors. theta energy: -21.016 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: 7 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -197.027116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.027116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.027116 (E_RNA) where: Base-Base interactions energy: -132.181 where: short stacking energy: -44.275 Base-Backbone interact. energy: -0.675 local terms energy: -64.171718 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -15.771 flat angles C4'-P-C4' energy: -12.108 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -13.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -155.100072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.100072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.100072 (E_RNA) where: Base-Base interactions energy: -97.593 where: short stacking energy: -37.989 Base-Backbone interact. energy: -1.171 local terms energy: -56.335548 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -80.579304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.579304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.579304 (E_RNA) where: Base-Base interactions energy: -22.905 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.004 local terms energy: -57.670344 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -78.222349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.222349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.222349 (E_RNA) where: Base-Base interactions energy: -30.038 where: short stacking energy: -30.038 Base-Backbone interact. energy: -0.073 local terms energy: -48.110728 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -15.066 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -2.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -72.686219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.686219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.686219 (E_RNA) where: Base-Base interactions energy: -22.821 where: short stacking energy: -23.321 Base-Backbone interact. energy: -0.484 local terms energy: -49.382171 where: bonds (distance) C4'-P energy: -13.935 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -14.892 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: -0.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -82.177467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.177467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.177467 (E_RNA) where: Base-Base interactions energy: -34.753 where: short stacking energy: -24.677 Base-Backbone interact. energy: 0.193 local terms energy: -47.616799 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -13.685 tors. eta vs tors. theta energy: 0.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -218.972695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.972695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.972695 (E_RNA) where: Base-Base interactions energy: -151.350 where: short stacking energy: -63.495 Base-Backbone interact. energy: -0.006 local terms energy: -67.616839 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -14.610 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -16.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -210.616051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.616051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.616051 (E_RNA) where: Base-Base interactions energy: -135.014 where: short stacking energy: -58.441 Base-Backbone interact. energy: -0.004 local terms energy: -75.597686 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -16.249 flat angles P-C4'-P energy: -12.765 tors. eta vs tors. theta energy: -18.295 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: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -216.299703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.299703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.299703 (E_RNA) where: Base-Base interactions energy: -146.060 where: short stacking energy: -60.625 Base-Backbone interact. energy: -0.107 local terms energy: -70.133077 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -11.430 flat angles P-C4'-P energy: -12.706 tors. eta vs tors. theta energy: -18.085 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: 9 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -209.454929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.454929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.454929 (E_RNA) where: Base-Base interactions energy: -134.352 where: short stacking energy: -65.961 Base-Backbone interact. energy: -2.745 local terms energy: -72.358258 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -14.031 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -12.590 tors. eta vs tors. theta energy: -20.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -203.077324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.077324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.077324 (E_RNA) where: Base-Base interactions energy: -139.726 where: short stacking energy: -54.704 Base-Backbone interact. energy: -0.081 local terms energy: -63.271022 where: bonds (distance) C4'-P energy: -9.401 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -11.126 tors. eta vs tors. theta energy: -15.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -160.237377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.237377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.237377 (E_RNA) where: Base-Base interactions energy: -101.467 where: short stacking energy: -50.710 Base-Backbone interact. energy: -0.041 local terms energy: -58.729710 where: bonds (distance) C4'-P energy: -15.147 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -7.904 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: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -86.853562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.853562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.853562 (E_RNA) where: Base-Base interactions energy: -30.573 where: short stacking energy: -30.573 Base-Backbone interact. energy: -0.015 local terms energy: -56.265643 where: bonds (distance) C4'-P energy: -9.392 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -10.239 tors. eta vs tors. theta energy: -8.392 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: 4 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -81.216772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.216772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.216772 (E_RNA) where: Base-Base interactions energy: -25.156 where: short stacking energy: -24.964 Base-Backbone interact. energy: -0.191 local terms energy: -55.870478 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -79.557163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.557163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.557163 (E_RNA) where: Base-Base interactions energy: -28.395 where: short stacking energy: -28.745 Base-Backbone interact. energy: -0.151 local terms energy: -51.011013 where: bonds (distance) C4'-P energy: -11.445 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -10.858 tors. eta vs tors. theta energy: -2.783 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: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -81.834746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.834746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.834746 (E_RNA) where: Base-Base interactions energy: -39.020 where: short stacking energy: -21.924 Base-Backbone interact. energy: 0.595 local terms energy: -43.409916 where: bonds (distance) C4'-P energy: -11.508 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -5.080 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -5.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -218.569464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.569464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.569464 (E_RNA) where: Base-Base interactions energy: -148.393 where: short stacking energy: -68.073 Base-Backbone interact. energy: -0.012 local terms energy: -70.164255 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -15.744 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -19.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -211.068579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.068579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.068579 (E_RNA) where: Base-Base interactions energy: -135.755 where: short stacking energy: -56.867 Base-Backbone interact. energy: -0.101 local terms energy: -75.212393 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -11.727 tors. eta vs tors. theta energy: -19.427 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: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -217.583439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.583439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.583439 (E_RNA) where: Base-Base interactions energy: -146.720 where: short stacking energy: -65.138 Base-Backbone interact. energy: -0.003 local terms energy: -70.861039 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -15.828 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -18.611 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: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -205.909239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.909239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.909239 (E_RNA) where: Base-Base interactions energy: -139.301 where: short stacking energy: -66.756 Base-Backbone interact. energy: -0.015 local terms energy: -66.592803 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -11.070 tors. eta vs tors. theta energy: -17.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -194.601736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.601736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.601736 (E_RNA) where: Base-Base interactions energy: -132.310 where: short stacking energy: -60.504 Base-Backbone interact. energy: 1.069 local terms energy: -63.361255 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -13.393 flat angles C4'-P-C4' energy: -11.153 flat angles P-C4'-P energy: -7.399 tors. eta vs tors. theta energy: -17.962 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: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -151.599856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.599856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.599856 (E_RNA) where: Base-Base interactions energy: -90.285 where: short stacking energy: -44.171 Base-Backbone interact. energy: -0.029 local terms energy: -61.285979 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -12.163 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -12.229 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: 7, replica: 4 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -100.917343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.917343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.917343 (E_RNA) where: Base-Base interactions energy: -46.697 where: short stacking energy: -33.052 Base-Backbone interact. energy: 3.037 local terms energy: -57.257308 where: bonds (distance) C4'-P energy: -16.005 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -15.183 flat angles P-C4'-P energy: -5.202 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -84.390062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.390062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.390062 (E_RNA) where: Base-Base interactions energy: -31.061 where: short stacking energy: -31.061 Base-Backbone interact. energy: -0.232 local terms energy: -53.096836 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -65.418015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.418015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.418015 (E_RNA) where: Base-Base interactions energy: -19.817 where: short stacking energy: -19.817 Base-Backbone interact. energy: -0.234 local terms energy: -45.366786 where: bonds (distance) C4'-P energy: -14.191 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -13.219 flat angles P-C4'-P energy: -7.438 tors. eta vs tors. theta energy: 0.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -97.450950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.450950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.450950 (E_RNA) where: Base-Base interactions energy: -49.340 where: short stacking energy: -29.968 Base-Backbone interact. energy: -0.125 local terms energy: -47.985686 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -11.627 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -4.015 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: 5 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -213.357765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.357765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.357765 (E_RNA) where: Base-Base interactions energy: -145.351 where: short stacking energy: -63.092 Base-Backbone interact. energy: -0.002 local terms energy: -68.004947 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -18.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -215.138992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.138992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.138992 (E_RNA) where: Base-Base interactions energy: -133.121 where: short stacking energy: -62.559 Base-Backbone interact. energy: -2.387 local terms energy: -79.631363 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -10.515 tors. eta vs tors. theta energy: -21.215 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: 3 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -218.087063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.087063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.087063 (E_RNA) where: Base-Base interactions energy: -142.043 where: short stacking energy: -66.080 Base-Backbone interact. energy: -0.022 local terms energy: -76.021387 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -9.961 tors. eta vs tors. theta energy: -21.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -209.048817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.048817 (E_RNA) where: Base-Base interactions energy: -139.671 where: short stacking energy: -66.885 Base-Backbone interact. energy: 0.122 local terms energy: -69.500577 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -16.473 flat angles P-C4'-P energy: -7.524 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: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -204.154312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.154312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.154312 (E_RNA) where: Base-Base interactions energy: -144.603 where: short stacking energy: -60.088 Base-Backbone interact. energy: 0.242 local terms energy: -59.793273 where: bonds (distance) C4'-P energy: -11.544 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -15.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -92.603882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.603882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.603882 (E_RNA) where: Base-Base interactions energy: -39.146 where: short stacking energy: -38.932 Base-Backbone interact. energy: -0.006 local terms energy: -53.452297 where: bonds (distance) C4'-P energy: -12.998 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -8.085 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: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -134.202073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.202073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.202073 (E_RNA) where: Base-Base interactions energy: -72.873 where: short stacking energy: -33.809 Base-Backbone interact. energy: -0.128 local terms energy: -61.201005 where: bonds (distance) C4'-P energy: -14.501 bonds (distance) P-C4' energy: -16.655 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -7.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -71.747983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.747983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.747983 (E_RNA) where: Base-Base interactions energy: -29.095 where: short stacking energy: -29.095 Base-Backbone interact. energy: -0.247 local terms energy: -42.405681 where: bonds (distance) C4'-P energy: -9.326 bonds (distance) P-C4' energy: -14.390 flat angles C4'-P-C4' energy: -10.302 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -79.868779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.868779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.868779 (E_RNA) where: Base-Base interactions energy: -28.987 where: short stacking energy: -28.987 Base-Backbone interact. energy: 0.970 local terms energy: -51.851408 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -8.633 tors. eta vs tors. theta energy: -0.009 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: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -69.015254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.015254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.015254 (E_RNA) where: Base-Base interactions energy: -25.885 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.228 local terms energy: -42.901919 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -6.820 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -215.677997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.677997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.677997 (E_RNA) where: Base-Base interactions energy: -146.246 where: short stacking energy: -68.249 Base-Backbone interact. energy: -0.903 local terms energy: -68.529213 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -20.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -226.395928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.395928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.395928 (E_RNA) where: Base-Base interactions energy: -147.331 where: short stacking energy: -69.915 Base-Backbone interact. energy: -2.884 local terms energy: -76.180925 where: bonds (distance) C4'-P energy: -13.582 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -13.319 tors. eta vs tors. theta energy: -20.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -212.350957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.350957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.350957 (E_RNA) where: Base-Base interactions energy: -138.924 where: short stacking energy: -61.783 Base-Backbone interact. energy: -0.297 local terms energy: -73.130096 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -13.508 tors. eta vs tors. theta energy: -16.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -201.610857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.610857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.610857 (E_RNA) where: Base-Base interactions energy: -128.596 where: short stacking energy: -61.627 Base-Backbone interact. energy: -0.001 local terms energy: -73.014216 where: bonds (distance) C4'-P energy: -11.443 bonds (distance) P-C4' energy: -16.022 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -10.850 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -207.995504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.995504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.995504 (E_RNA) where: Base-Base interactions energy: -136.738 where: short stacking energy: -65.619 Base-Backbone interact. energy: -1.058 local terms energy: -70.199082 where: bonds (distance) C4'-P energy: -10.795 bonds (distance) P-C4' energy: -15.306 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -19.545 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: 4 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -100.120090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.120090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.120090 (E_RNA) where: Base-Base interactions energy: -43.263 where: short stacking energy: -43.263 Base-Backbone interact. energy: -0.053 local terms energy: -56.803854 where: bonds (distance) C4'-P energy: -15.064 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -8.618 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: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -98.802670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.802670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.802670 (E_RNA) where: Base-Base interactions energy: -43.895 where: short stacking energy: -31.723 Base-Backbone interact. energy: 0.427 local terms energy: -55.334501 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -7.688 tors. eta vs tors. theta energy: -5.407 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: 8 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -73.915414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.915414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.915414 (E_RNA) where: Base-Base interactions energy: -32.001 where: short stacking energy: -32.001 Base-Backbone interact. energy: -0.145 local terms energy: -41.769578 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -9.979 flat angles C4'-P-C4' energy: -10.189 flat angles P-C4'-P energy: -12.311 tors. eta vs tors. theta energy: -1.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -80.123475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.123475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.123475 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.104 local terms energy: -55.867114 where: bonds (distance) C4'-P energy: -11.917 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -14.755 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: -5.513 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: 10, replica: 6 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -75.057830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.057830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.057830 (E_RNA) where: Base-Base interactions energy: -22.806 where: short stacking energy: -22.806 Base-Backbone interact. energy: -0.004 local terms energy: -52.247996 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.809 flat angles C4'-P-C4' energy: -9.863 flat angles P-C4'-P energy: -12.190 tors. eta vs tors. theta energy: -4.670 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: 2 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -219.387448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.387448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.387448 (E_RNA) where: Base-Base interactions energy: -141.281 where: short stacking energy: -65.052 Base-Backbone interact. energy: -2.542 local terms energy: -75.564402 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -16.268 flat angles P-C4'-P energy: -13.346 tors. eta vs tors. theta energy: -18.738 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: 5 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -217.426828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.426828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.426828 (E_RNA) where: Base-Base interactions energy: -140.589 where: short stacking energy: -71.813 Base-Backbone interact. energy: -0.019 local terms energy: -76.819187 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -12.086 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -12.733 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: 3, replica: 7 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -215.044347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.044347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.044347 (E_RNA) where: Base-Base interactions energy: -137.657 where: short stacking energy: -61.561 Base-Backbone interact. energy: -0.041 local terms energy: -77.346969 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -10.873 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -13.278 tors. eta vs tors. theta energy: -20.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -200.155730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.155730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.155730 (E_RNA) where: Base-Base interactions energy: -132.508 where: short stacking energy: -60.106 Base-Backbone interact. energy: 1.484 local terms energy: -69.131398 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -18.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -196.857668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.857668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.857668 (E_RNA) where: Base-Base interactions energy: -125.825 where: short stacking energy: -55.642 Base-Backbone interact. energy: -0.239 local terms energy: -70.793630 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -12.693 tors. eta vs tors. theta energy: -14.601 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: 4 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -100.537969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.537969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.537969 (E_RNA) where: Base-Base interactions energy: -55.774 where: short stacking energy: -19.426 Base-Backbone interact. energy: -0.084 local terms energy: -44.679475 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -14.258 flat angles C4'-P-C4' energy: -4.885 flat angles P-C4'-P energy: -5.845 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: 7, replica: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -82.918353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.918353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.918353 (E_RNA) where: Base-Base interactions energy: -36.437 where: short stacking energy: -34.862 Base-Backbone interact. energy: -0.084 local terms energy: -46.397922 where: bonds (distance) C4'-P energy: -12.269 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -1.084 tors. eta vs tors. theta energy: -4.126 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: 10 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -78.774525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.774525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.774525 (E_RNA) where: Base-Base interactions energy: -36.213 where: short stacking energy: -25.634 Base-Backbone interact. energy: -0.353 local terms energy: -42.209334 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -1.302 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: 8 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -85.495439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.495439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.495439 (E_RNA) where: Base-Base interactions energy: -32.612 where: short stacking energy: -21.841 Base-Backbone interact. energy: -0.042 local terms energy: -52.840902 where: bonds (distance) C4'-P energy: -7.823 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -75.036512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.036512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.036512 (E_RNA) where: Base-Base interactions energy: -32.114 where: short stacking energy: -29.983 Base-Backbone interact. energy: -0.195 local terms energy: -42.727895 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -10.099 flat angles C4'-P-C4' energy: -11.869 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -218.958552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.958552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.958552 (E_RNA) where: Base-Base interactions energy: -146.386 where: short stacking energy: -69.478 Base-Backbone interact. energy: -0.066 local terms energy: -72.506260 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -20.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -216.955822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.955822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.955822 (E_RNA) where: Base-Base interactions energy: -149.106 where: short stacking energy: -66.035 Base-Backbone interact. energy: -0.000 local terms energy: -67.849835 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -19.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -190.200536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.200536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.200536 (E_RNA) where: Base-Base interactions energy: -128.867 where: short stacking energy: -52.610 Base-Backbone interact. energy: 0.629 local terms energy: -61.962356 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -3.952 tors. eta vs tors. theta energy: -14.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -211.172305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.172305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.172305 (E_RNA) where: Base-Base interactions energy: -133.301 where: short stacking energy: -69.094 Base-Backbone interact. energy: -0.011 local terms energy: -77.860964 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -14.573 flat angles C4'-P-C4' energy: -16.646 flat angles P-C4'-P energy: -11.426 tors. eta vs tors. theta energy: -21.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -196.875783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.875783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.875783 (E_RNA) where: Base-Base interactions energy: -124.917 where: short stacking energy: -57.411 Base-Backbone interact. energy: -0.008 local terms energy: -71.950470 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -16.578 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -19.504 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: 4 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -128.663366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.663366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.663366 (E_RNA) where: Base-Base interactions energy: -73.484 where: short stacking energy: -46.586 Base-Backbone interact. energy: 0.371 local terms energy: -55.550078 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -16.511 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -6.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -80.993787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.993787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.993787 (E_RNA) where: Base-Base interactions energy: -30.972 where: short stacking energy: -20.520 Base-Backbone interact. energy: -0.265 local terms energy: -49.756235 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -17.130 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -6.834 tors. eta vs tors. theta energy: 0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -77.624216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.624216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.624216 (E_RNA) where: Base-Base interactions energy: -32.937 where: short stacking energy: -30.034 Base-Backbone interact. energy: -0.131 local terms energy: -44.555772 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -14.467 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -5.065 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: 6 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -82.904579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.904579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.904579 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.003 local terms energy: -52.466555 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -11.558 flat angles C4'-P-C4' energy: -13.174 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -7.685 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: 8 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -79.766145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.766145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.766145 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -24.359 Base-Backbone interact. energy: -2.146 local terms energy: -50.810635 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -17.573 flat angles C4'-P-C4' energy: -11.692 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: 1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -220.122330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.122330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.122330 (E_RNA) where: Base-Base interactions energy: -145.410 where: short stacking energy: -65.176 Base-Backbone interact. energy: -0.010 local terms energy: -74.702760 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -10.235 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -14.927 tors. eta vs tors. theta energy: -19.234 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: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -215.903252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.903252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.903252 (E_RNA) where: Base-Base interactions energy: -140.040 where: short stacking energy: -67.368 Base-Backbone interact. energy: -0.009 local terms energy: -75.854500 where: bonds (distance) C4'-P energy: -13.233 bonds (distance) P-C4' energy: -17.072 flat angles C4'-P-C4' energy: -17.110 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -203.328341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.328341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.328341 (E_RNA) where: Base-Base interactions energy: -137.491 where: short stacking energy: -62.702 Base-Backbone interact. energy: -0.083 local terms energy: -65.754501 where: bonds (distance) C4'-P energy: -10.899 bonds (distance) P-C4' energy: -11.565 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -13.153 tors. eta vs tors. theta energy: -16.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -205.018497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.018497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.018497 (E_RNA) where: Base-Base interactions energy: -134.274 where: short stacking energy: -59.485 Base-Backbone interact. energy: -0.673 local terms energy: -70.071977 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -20.765 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: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -194.301148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.301148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.301148 (E_RNA) where: Base-Base interactions energy: -129.276 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.091 local terms energy: -64.933400 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -8.437 tors. eta vs tors. theta energy: -15.972 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: 10 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -95.600255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.600255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.600255 (E_RNA) where: Base-Base interactions energy: -40.928 where: short stacking energy: -23.549 Base-Backbone interact. energy: 0.148 local terms energy: -54.820069 where: bonds (distance) C4'-P energy: -14.389 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -11.728 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -4.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -95.274942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.274942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.274942 (E_RNA) where: Base-Base interactions energy: -47.251 where: short stacking energy: -28.027 Base-Backbone interact. energy: -0.114 local terms energy: -47.909668 where: bonds (distance) C4'-P energy: -8.564 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -79.376611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.376611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.376611 (E_RNA) where: Base-Base interactions energy: -31.921 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.013 local terms energy: -47.442593 where: bonds (distance) C4'-P energy: -15.934 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -90.194683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.194683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.194683 (E_RNA) where: Base-Base interactions energy: -36.255 where: short stacking energy: -32.905 Base-Backbone interact. energy: 0.062 local terms energy: -54.002229 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -15.755 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -77.138548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.138548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.138548 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -24.471 Base-Backbone interact. energy: -0.008 local terms energy: -52.659986 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -3.165 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: 5 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -225.153904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.153904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.153904 (E_RNA) where: Base-Base interactions energy: -149.385 where: short stacking energy: -64.018 Base-Backbone interact. energy: -0.009 local terms energy: -75.759924 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -17.598 flat angles P-C4'-P energy: -11.944 tors. eta vs tors. theta energy: -18.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -218.442470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.442470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.442470 (E_RNA) where: Base-Base interactions energy: -147.174 where: short stacking energy: -65.567 Base-Backbone interact. energy: -0.002 local terms energy: -71.265732 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -10.403 flat angles C4'-P-C4' energy: -16.684 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -18.093 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: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -212.173526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.173526 (E_RNA) where: Base-Base interactions energy: -135.405 where: short stacking energy: -64.985 Base-Backbone interact. energy: -0.015 local terms energy: -76.754077 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -15.327 flat angles C4'-P-C4' energy: -15.635 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -22.203 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: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -203.660306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.660306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.660306 (E_RNA) where: Base-Base interactions energy: -131.484 where: short stacking energy: -61.465 Base-Backbone interact. energy: -0.008 local terms energy: -72.167837 where: bonds (distance) C4'-P energy: -15.042 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -17.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -188.969468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.969468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.969468 (E_RNA) where: Base-Base interactions energy: -125.193 where: short stacking energy: -54.582 Base-Backbone interact. energy: -0.864 local terms energy: -62.912272 where: bonds (distance) C4'-P energy: -10.075 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -14.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -145.475163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.475163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.475163 (E_RNA) where: Base-Base interactions energy: -87.468 where: short stacking energy: -40.549 Base-Backbone interact. energy: -0.006 local terms energy: -58.001353 where: bonds (distance) C4'-P energy: -15.425 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -9.203 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -93.767978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.767978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.767978 (E_RNA) where: Base-Base interactions energy: -39.320 where: short stacking energy: -39.320 Base-Backbone interact. energy: 0.863 local terms energy: -55.310448 where: bonds (distance) C4'-P energy: -14.257 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -3.324 tors. eta vs tors. theta energy: -12.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -90.003696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.003696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.003696 (E_RNA) where: Base-Base interactions energy: -29.210 where: short stacking energy: -29.210 Base-Backbone interact. energy: -0.007 local terms energy: -60.786500 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -14.667 flat angles C4'-P-C4' energy: -17.340 flat angles P-C4'-P energy: -11.457 tors. eta vs tors. theta energy: -6.716 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: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -74.291158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.291158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.291158 (E_RNA) where: Base-Base interactions energy: -24.989 where: short stacking energy: -24.989 Base-Backbone interact. energy: 0.700 local terms energy: -50.002016 where: bonds (distance) C4'-P energy: -10.787 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -82.816437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.816437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.816437 (E_RNA) where: Base-Base interactions energy: -41.740 where: short stacking energy: -19.592 Base-Backbone interact. energy: -0.330 local terms energy: -40.747159 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -223.310127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.310127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.310127 (E_RNA) where: Base-Base interactions energy: -143.189 where: short stacking energy: -69.676 Base-Backbone interact. energy: -0.638 local terms energy: -79.483676 where: bonds (distance) C4'-P energy: -15.922 bonds (distance) P-C4' energy: -16.891 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -19.500 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: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -218.292121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.292121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.292121 (E_RNA) where: Base-Base interactions energy: -139.607 where: short stacking energy: -61.534 Base-Backbone interact. energy: -0.094 local terms energy: -78.591581 where: bonds (distance) C4'-P energy: -15.900 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -16.169 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -21.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -201.839475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.839475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.839475 (E_RNA) where: Base-Base interactions energy: -137.674 where: short stacking energy: -56.276 Base-Backbone interact. energy: -0.195 local terms energy: -63.970164 where: bonds (distance) C4'-P energy: -8.804 bonds (distance) P-C4' energy: -12.716 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -11.223 tors. eta vs tors. theta energy: -17.189 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: 459 Temperature: 1.050000 Total energy: -207.430014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.430014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.430014 (E_RNA) where: Base-Base interactions energy: -134.351 where: short stacking energy: -59.238 Base-Backbone interact. energy: -0.867 local terms energy: -72.212291 where: bonds (distance) C4'-P energy: -12.426 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -10.337 tors. eta vs tors. theta energy: -21.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -205.900171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.900171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.900171 (E_RNA) where: Base-Base interactions energy: -140.452 where: short stacking energy: -62.391 Base-Backbone interact. energy: -0.085 local terms energy: -65.363632 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.065 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -17.838 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: 6, replica: 10 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -175.636320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.636320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.636320 (E_RNA) where: Base-Base interactions energy: -109.987 where: short stacking energy: -52.994 Base-Backbone interact. energy: -0.002 local terms energy: -65.647220 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -14.631 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -83.236963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.236963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.236963 (E_RNA) where: Base-Base interactions energy: -33.058 where: short stacking energy: -30.717 Base-Backbone interact. energy: 1.169 local terms energy: -51.348253 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -84.140925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.140925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.140925 (E_RNA) where: Base-Base interactions energy: -36.302 where: short stacking energy: -31.376 Base-Backbone interact. energy: -0.408 local terms energy: -47.431122 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -79.222229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.222229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.222229 (E_RNA) where: Base-Base interactions energy: -19.811 where: short stacking energy: -19.811 Base-Backbone interact. energy: -0.056 local terms energy: -59.355194 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -16.191 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -6.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -74.442841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.442841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.442841 (E_RNA) where: Base-Base interactions energy: -27.251 where: short stacking energy: -20.655 Base-Backbone interact. energy: -1.104 local terms energy: -46.088422 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.783 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -226.683849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.683849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.683849 (E_RNA) where: Base-Base interactions energy: -151.866 where: short stacking energy: -68.566 Base-Backbone interact. energy: -0.000 local terms energy: -74.817846 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -14.594 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -12.483 tors. eta vs tors. theta energy: -18.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -219.714614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.714614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.714614 (E_RNA) where: Base-Base interactions energy: -146.916 where: short stacking energy: -65.097 Base-Backbone interact. energy: -0.021 local terms energy: -72.777481 where: bonds (distance) C4'-P energy: -13.723 bonds (distance) P-C4' energy: -17.578 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -214.849600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.849600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.849600 (E_RNA) where: Base-Base interactions energy: -138.319 where: short stacking energy: -63.968 Base-Backbone interact. energy: -0.340 local terms energy: -76.190688 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -16.131 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -20.020 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: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -204.017424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.017424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.017424 (E_RNA) where: Base-Base interactions energy: -132.534 where: short stacking energy: -51.852 Base-Backbone interact. energy: -0.238 local terms energy: -71.245675 where: bonds (distance) C4'-P energy: -15.088 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -10.904 tors. eta vs tors. theta energy: -17.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -188.162019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.162019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.162019 (E_RNA) where: Base-Base interactions energy: -126.323 where: short stacking energy: -55.398 Base-Backbone interact. energy: -0.151 local terms energy: -61.687702 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -14.657 flat angles C4'-P-C4' energy: -10.017 flat angles P-C4'-P energy: -8.700 tors. eta vs tors. theta energy: -14.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -194.279414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.279414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.279414 (E_RNA) where: Base-Base interactions energy: -132.917 where: short stacking energy: -54.921 Base-Backbone interact. energy: -0.854 local terms energy: -60.508332 where: bonds (distance) C4'-P energy: -9.449 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -15.029 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -14.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -79.831837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.831837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.831837 (E_RNA) where: Base-Base interactions energy: -27.729 where: short stacking energy: -23.247 Base-Backbone interact. energy: -0.197 local terms energy: -51.906228 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -3.369 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: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -85.927605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.927605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.927605 (E_RNA) where: Base-Base interactions energy: -34.988 where: short stacking energy: -32.372 Base-Backbone interact. energy: -0.099 local terms energy: -50.840228 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -77.160329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.160329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.160329 (E_RNA) where: Base-Base interactions energy: -30.201 where: short stacking energy: -21.856 Base-Backbone interact. energy: 0.248 local terms energy: -47.207656 where: bonds (distance) C4'-P energy: -9.645 bonds (distance) P-C4' energy: -16.003 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -69.840349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.840349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.840349 (E_RNA) where: Base-Base interactions energy: -17.310 where: short stacking energy: -17.310 Base-Backbone interact. energy: 0.429 local terms energy: -52.958407 where: bonds (distance) C4'-P energy: -9.435 bonds (distance) P-C4' energy: -14.456 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -225.622693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.622693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.622693 (E_RNA) where: Base-Base interactions energy: -153.339 where: short stacking energy: -66.857 Base-Backbone interact. energy: 1.893 local terms energy: -74.176870 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -15.890 flat angles P-C4'-P energy: -13.308 tors. eta vs tors. theta energy: -16.683 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: 461 Temperature: 0.950000 Total energy: -214.748329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.748329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.748329 (E_RNA) where: Base-Base interactions energy: -139.368 where: short stacking energy: -66.329 Base-Backbone interact. energy: -0.114 local terms energy: -75.266593 where: bonds (distance) C4'-P energy: -17.411 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -11.845 tors. eta vs tors. theta energy: -17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -210.350782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.350782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.350782 (E_RNA) where: Base-Base interactions energy: -141.472 where: short stacking energy: -62.801 Base-Backbone interact. energy: -0.540 local terms energy: -68.338134 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -10.150 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -19.035 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: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -208.062093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.062093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.062093 (E_RNA) where: Base-Base interactions energy: -139.015 where: short stacking energy: -59.159 Base-Backbone interact. energy: -0.037 local terms energy: -69.009858 where: bonds (distance) C4'-P energy: -15.738 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -15.120 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -18.051 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: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -212.201170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.201170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.201170 (E_RNA) where: Base-Base interactions energy: -150.225 where: short stacking energy: -53.924 Base-Backbone interact. energy: -0.106 local terms energy: -61.869533 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -16.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -197.170260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.170260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.170260 (E_RNA) where: Base-Base interactions energy: -139.352 where: short stacking energy: -53.945 Base-Backbone interact. energy: -0.121 local terms energy: -57.697255 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -15.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -99.553563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.553563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.553563 (E_RNA) where: Base-Base interactions energy: -41.627 where: short stacking energy: -37.895 Base-Backbone interact. energy: -0.278 local terms energy: -57.648973 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -11.640 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: 1 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -76.173895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.173895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.173895 (E_RNA) where: Base-Base interactions energy: -27.263 where: short stacking energy: -27.263 Base-Backbone interact. energy: -0.090 local terms energy: -48.821627 where: bonds (distance) C4'-P energy: -12.361 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -70.316832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.316832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.316832 (E_RNA) where: Base-Base interactions energy: -30.602 where: short stacking energy: -19.500 Base-Backbone interact. energy: -0.238 local terms energy: -39.476648 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -7.808 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: 3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -75.598115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.598115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.598115 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.636 Base-Backbone interact. energy: -0.068 local terms energy: -49.893768 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -11.968 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -2.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -222.951778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.951778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.951778 (E_RNA) where: Base-Base interactions energy: -153.486 where: short stacking energy: -65.394 Base-Backbone interact. energy: -0.101 local terms energy: -69.364954 where: bonds (distance) C4'-P energy: -12.637 bonds (distance) P-C4' energy: -14.712 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -11.530 tors. eta vs tors. theta energy: -16.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -221.627799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.627799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.627799 (E_RNA) where: Base-Base interactions energy: -149.517 where: short stacking energy: -68.449 Base-Backbone interact. energy: -0.057 local terms energy: -72.054287 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -209.389922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.389922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.389922 (E_RNA) where: Base-Base interactions energy: -128.669 where: short stacking energy: -59.182 Base-Backbone interact. energy: -0.070 local terms energy: -80.650744 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -17.345 flat angles P-C4'-P energy: -11.127 tors. eta vs tors. theta energy: -19.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -209.388216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.388216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.388216 (E_RNA) where: Base-Base interactions energy: -133.598 where: short stacking energy: -57.993 Base-Backbone interact. energy: -0.011 local terms energy: -75.778937 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -17.690 flat angles C4'-P-C4' energy: -16.685 flat angles P-C4'-P energy: -9.231 tors. eta vs tors. theta energy: -18.155 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: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -196.080511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.080511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.080511 (E_RNA) where: Base-Base interactions energy: -133.629 where: short stacking energy: -57.835 Base-Backbone interact. energy: -0.555 local terms energy: -61.896187 where: bonds (distance) C4'-P energy: -9.536 bonds (distance) P-C4' energy: -9.011 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -14.585 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: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -183.092654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.092654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.092654 (E_RNA) where: Base-Base interactions energy: -121.604 where: short stacking energy: -53.497 Base-Backbone interact. energy: -0.719 local terms energy: -60.769029 where: bonds (distance) C4'-P energy: -9.538 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -17.097 flat angles P-C4'-P energy: -10.331 tors. eta vs tors. theta energy: -13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -83.513420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.513420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.513420 (E_RNA) where: Base-Base interactions energy: -38.404 where: short stacking energy: -33.027 Base-Backbone interact. energy: -0.702 local terms energy: -44.407853 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -10.727 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -73.519819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.519819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.519819 (E_RNA) where: Base-Base interactions energy: -25.403 where: short stacking energy: -25.403 Base-Backbone interact. energy: -0.520 local terms energy: -47.596320 where: bonds (distance) C4'-P energy: -12.630 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -84.760891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.760891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.760891 (E_RNA) where: Base-Base interactions energy: -36.925 where: short stacking energy: -35.345 Base-Backbone interact. energy: -0.133 local terms energy: -47.703152 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -79.141917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.141917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.141917 (E_RNA) where: Base-Base interactions energy: -31.620 where: short stacking energy: -27.558 Base-Backbone interact. energy: 0.884 local terms energy: -48.405269 where: bonds (distance) C4'-P energy: -9.692 bonds (distance) P-C4' energy: -14.833 flat angles C4'-P-C4' energy: -11.174 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -219.983938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.983938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.983938 (E_RNA) where: Base-Base interactions energy: -142.182 where: short stacking energy: -64.135 Base-Backbone interact. energy: -0.910 local terms energy: -76.892624 where: bonds (distance) C4'-P energy: -14.254 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -15.698 flat angles P-C4'-P energy: -13.144 tors. eta vs tors. theta energy: -19.389 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: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -215.979133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.979133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.979133 (E_RNA) where: Base-Base interactions energy: -141.605 where: short stacking energy: -65.700 Base-Backbone interact. energy: -1.984 local terms energy: -72.390383 where: bonds (distance) C4'-P energy: -11.626 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -10.287 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -211.683211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.683211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.683211 (E_RNA) where: Base-Base interactions energy: -142.368 where: short stacking energy: -62.842 Base-Backbone interact. energy: -1.207 local terms energy: -68.107912 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -20.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -214.497564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.497564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.497564 (E_RNA) where: Base-Base interactions energy: -139.172 where: short stacking energy: -65.193 Base-Backbone interact. energy: -0.878 local terms energy: -74.447520 where: bonds (distance) C4'-P energy: -13.684 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -9.765 tors. eta vs tors. theta energy: -20.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -207.771160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.771160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.771160 (E_RNA) where: Base-Base interactions energy: -134.281 where: short stacking energy: -51.641 Base-Backbone interact. energy: -0.046 local terms energy: -73.444249 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -11.280 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: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -191.793409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.793409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.793409 (E_RNA) where: Base-Base interactions energy: -127.224 where: short stacking energy: -57.411 Base-Backbone interact. energy: -0.273 local terms energy: -64.296260 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -14.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -81.283886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.283886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.283886 (E_RNA) where: Base-Base interactions energy: -31.465 where: short stacking energy: -31.003 Base-Backbone interact. energy: -0.074 local terms energy: -49.744258 where: bonds (distance) C4'-P energy: -16.471 bonds (distance) P-C4' energy: -9.736 flat angles C4'-P-C4' energy: -11.313 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -2.911 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: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -86.462880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.462880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.462880 (E_RNA) where: Base-Base interactions energy: -47.075 where: short stacking energy: -26.654 Base-Backbone interact. energy: -0.162 local terms energy: -39.225844 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -6.711 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -2.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -72.933382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.933382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.933382 (E_RNA) where: Base-Base interactions energy: -20.785 where: short stacking energy: -15.619 Base-Backbone interact. energy: -0.266 local terms energy: -51.883231 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -16.872 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -77.614090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.614090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.614090 (E_RNA) where: Base-Base interactions energy: -29.916 where: short stacking energy: -27.664 Base-Backbone interact. energy: -0.022 local terms energy: -47.676402 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -217.312945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.312945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.312945 (E_RNA) where: Base-Base interactions energy: -141.809 where: short stacking energy: -64.963 Base-Backbone interact. energy: -0.836 local terms energy: -74.667549 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -19.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -214.172503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.172503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.172503 (E_RNA) where: Base-Base interactions energy: -142.852 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.848 local terms energy: -70.472578 where: bonds (distance) C4'-P energy: -14.315 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -12.445 tors. eta vs tors. theta energy: -18.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -207.947928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.947928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.947928 (E_RNA) where: Base-Base interactions energy: -143.332 where: short stacking energy: -68.095 Base-Backbone interact. energy: -0.145 local terms energy: -64.471847 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -16.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -200.214406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.214406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.214406 (E_RNA) where: Base-Base interactions energy: -131.200 where: short stacking energy: -50.532 Base-Backbone interact. energy: -0.009 local terms energy: -69.005989 where: bonds (distance) C4'-P energy: -15.636 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -6.963 tors. eta vs tors. theta energy: -15.465 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: 7 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -199.507977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.507977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.507977 (E_RNA) where: Base-Base interactions energy: -131.362 where: short stacking energy: -56.644 Base-Backbone interact. energy: -0.018 local terms energy: -68.127872 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -14.851 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -17.192 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: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -199.257879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.257879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.257879 (E_RNA) where: Base-Base interactions energy: -127.698 where: short stacking energy: -55.365 Base-Backbone interact. energy: -0.002 local terms energy: -71.557398 where: bonds (distance) C4'-P energy: -9.558 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -22.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -89.012866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.012866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.012866 (E_RNA) where: Base-Base interactions energy: -45.248 where: short stacking energy: -40.959 Base-Backbone interact. energy: -0.232 local terms energy: -43.532284 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -1.568 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: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -84.675235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.675235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.675235 (E_RNA) where: Base-Base interactions energy: -31.336 where: short stacking energy: -25.919 Base-Backbone interact. energy: -0.672 local terms energy: -52.667034 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -10.691 flat angles P-C4'-P energy: -12.403 tors. eta vs tors. theta energy: -3.393 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: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -77.536696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.536696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.536696 (E_RNA) where: Base-Base interactions energy: -25.181 where: short stacking energy: -23.062 Base-Backbone interact. energy: -0.114 local terms energy: -52.242281 where: bonds (distance) C4'-P energy: -15.470 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -1.603 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: 4 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -67.651779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.651779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.651779 (E_RNA) where: Base-Base interactions energy: -17.992 where: short stacking energy: -14.964 Base-Backbone interact. energy: -0.112 local terms energy: -49.547243 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: 0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -219.748026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.748026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.748026 (E_RNA) where: Base-Base interactions energy: -142.994 where: short stacking energy: -67.059 Base-Backbone interact. energy: -0.099 local terms energy: -76.655119 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -11.570 tors. eta vs tors. theta energy: -19.845 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -215.354017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.354017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.354017 (E_RNA) where: Base-Base interactions energy: -140.729 where: short stacking energy: -68.241 Base-Backbone interact. energy: -2.665 local terms energy: -71.959958 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -22.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -212.869333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.869333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.869333 (E_RNA) where: Base-Base interactions energy: -144.441 where: short stacking energy: -68.300 Base-Backbone interact. energy: -0.304 local terms energy: -68.123778 where: bonds (distance) C4'-P energy: -10.676 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -10.477 tors. eta vs tors. theta energy: -18.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -210.146005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.146005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.146005 (E_RNA) where: Base-Base interactions energy: -136.041 where: short stacking energy: -62.086 Base-Backbone interact. energy: -0.453 local terms energy: -73.651898 where: bonds (distance) C4'-P energy: -16.418 bonds (distance) P-C4' energy: -11.579 flat angles C4'-P-C4' energy: -17.105 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -197.981756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.981756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.981756 (E_RNA) where: Base-Base interactions energy: -130.385 where: short stacking energy: -56.278 Base-Backbone interact. energy: -0.009 local terms energy: -67.587739 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -15.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -202.115385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.115385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.115385 (E_RNA) where: Base-Base interactions energy: -146.534 where: short stacking energy: -60.244 Base-Backbone interact. energy: 1.391 local terms energy: -56.971984 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -3.939 flat angles C4'-P-C4' energy: -13.266 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -16.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -81.557896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.557896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.557896 (E_RNA) where: Base-Base interactions energy: -33.806 where: short stacking energy: -30.561 Base-Backbone interact. energy: -0.246 local terms energy: -47.505855 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -8.834 tors. eta vs tors. theta energy: -0.421 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: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -87.148648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.148648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.148648 (E_RNA) where: Base-Base interactions energy: -32.326 where: short stacking energy: -28.213 Base-Backbone interact. energy: -1.215 local terms energy: -53.608031 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -75.780251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.780251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.780251 (E_RNA) where: Base-Base interactions energy: -28.761 where: short stacking energy: -19.555 Base-Backbone interact. energy: 1.453 local terms energy: -48.472581 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -18.000 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -78.851393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.851393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.851393 (E_RNA) where: Base-Base interactions energy: -30.190 where: short stacking energy: -30.190 Base-Backbone interact. energy: -0.187 local terms energy: -48.474376 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -217.683147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.683147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.683147 (E_RNA) where: Base-Base interactions energy: -142.783 where: short stacking energy: -60.786 Base-Backbone interact. energy: -0.015 local terms energy: -74.885125 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -16.665 flat angles C4'-P-C4' energy: -16.238 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -18.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -218.970371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.970371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.970371 (E_RNA) where: Base-Base interactions energy: -141.419 where: short stacking energy: -67.245 Base-Backbone interact. energy: -2.962 local terms energy: -74.589868 where: bonds (distance) C4'-P energy: -15.138 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -22.851 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: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -212.825548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.825548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.825548 (E_RNA) where: Base-Base interactions energy: -138.835 where: short stacking energy: -62.957 Base-Backbone interact. energy: -0.009 local terms energy: -73.981244 where: bonds (distance) C4'-P energy: -10.716 bonds (distance) P-C4' energy: -16.321 flat angles C4'-P-C4' energy: -16.649 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -20.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -211.511967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.511967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.511967 (E_RNA) where: Base-Base interactions energy: -137.560 where: short stacking energy: -63.371 Base-Backbone interact. energy: 0.410 local terms energy: -74.361828 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -20.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -200.687080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.687080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.687080 (E_RNA) where: Base-Base interactions energy: -130.653 where: short stacking energy: -60.225 Base-Backbone interact. energy: -0.004 local terms energy: -70.030027 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -17.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -210.583968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.583968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.583968 (E_RNA) where: Base-Base interactions energy: -140.482 where: short stacking energy: -60.769 Base-Backbone interact. energy: -1.075 local terms energy: -69.027504 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -18.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -82.726655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.726655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.726655 (E_RNA) where: Base-Base interactions energy: -32.722 where: short stacking energy: -32.722 Base-Backbone interact. energy: -0.112 local terms energy: -49.891929 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -83.911908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.911908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.911908 (E_RNA) where: Base-Base interactions energy: -32.681 where: short stacking energy: -27.230 Base-Backbone interact. energy: -0.213 local terms energy: -51.018326 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -14.667 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -2.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -83.114961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.114961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.114961 (E_RNA) where: Base-Base interactions energy: -38.192 where: short stacking energy: -27.220 Base-Backbone interact. energy: -1.047 local terms energy: -43.876193 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -1.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -73.269873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.269873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.269873 (E_RNA) where: Base-Base interactions energy: -29.818 where: short stacking energy: -18.134 Base-Backbone interact. energy: -0.020 local terms energy: -43.431926 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -7.448 tors. eta vs tors. theta energy: 1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -222.463667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.463667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.463667 (E_RNA) where: Base-Base interactions energy: -143.630 where: short stacking energy: -65.156 Base-Backbone interact. energy: -0.383 local terms energy: -78.450423 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -14.757 flat angles C4'-P-C4' energy: -16.631 flat angles P-C4'-P energy: -15.401 tors. eta vs tors. theta energy: -19.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -220.592542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.592542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.592542 (E_RNA) where: Base-Base interactions energy: -143.068 where: short stacking energy: -60.114 Base-Backbone interact. energy: 0.466 local terms energy: -77.991134 where: bonds (distance) C4'-P energy: -17.424 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -14.975 flat angles P-C4'-P energy: -13.619 tors. eta vs tors. theta energy: -18.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -213.287398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.287398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.287398 (E_RNA) where: Base-Base interactions energy: -136.274 where: short stacking energy: -55.569 Base-Backbone interact. energy: -1.719 local terms energy: -75.294620 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -15.597 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -11.183 tors. eta vs tors. theta energy: -18.863 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: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -206.056225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.056225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.056225 (E_RNA) where: Base-Base interactions energy: -135.315 where: short stacking energy: -64.501 Base-Backbone interact. energy: -2.293 local terms energy: -68.447965 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -11.880 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -20.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -201.219671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.219671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.219671 (E_RNA) where: Base-Base interactions energy: -132.885 where: short stacking energy: -62.845 Base-Backbone interact. energy: -1.633 local terms energy: -66.701840 where: bonds (distance) C4'-P energy: -13.550 bonds (distance) P-C4' energy: -15.860 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -19.341 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: 5 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -203.015211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.015211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.015211 (E_RNA) where: Base-Base interactions energy: -135.370 where: short stacking energy: -62.805 Base-Backbone interact. energy: -0.244 local terms energy: -67.401346 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -18.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -100.245936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.245936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.245936 (E_RNA) where: Base-Base interactions energy: -55.272 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.228 local terms energy: -44.745429 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -6.291 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -6.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -73.295093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.295093 (E_RNA) where: Base-Base interactions energy: -33.365 where: short stacking energy: -22.024 Base-Backbone interact. energy: -1.045 local terms energy: -38.885426 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: 0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -76.371227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.371227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.371227 (E_RNA) where: Base-Base interactions energy: -22.266 where: short stacking energy: -16.667 Base-Backbone interact. energy: -0.129 local terms energy: -53.975918 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -12.520 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -0.237 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: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -64.896664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.896664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.896664 (E_RNA) where: Base-Base interactions energy: -22.663 where: short stacking energy: -22.351 Base-Backbone interact. energy: 0.038 local terms energy: -42.272037 where: bonds (distance) C4'-P energy: -10.921 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -10.484 flat angles P-C4'-P energy: -6.837 tors. eta vs tors. theta energy: -0.102 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: 10 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -216.550414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.550414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.550414 (E_RNA) where: Base-Base interactions energy: -138.151 where: short stacking energy: -64.340 Base-Backbone interact. energy: -1.106 local terms energy: -77.293952 where: bonds (distance) C4'-P energy: -17.201 bonds (distance) P-C4' energy: -15.185 flat angles C4'-P-C4' energy: -11.399 flat angles P-C4'-P energy: -13.509 tors. eta vs tors. theta energy: -20.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -212.383437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.383437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.383437 (E_RNA) where: Base-Base interactions energy: -137.167 where: short stacking energy: -62.335 Base-Backbone interact. energy: -0.030 local terms energy: -75.185959 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -16.421 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -17.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -215.556544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.556544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.556544 (E_RNA) where: Base-Base interactions energy: -144.597 where: short stacking energy: -60.410 Base-Backbone interact. energy: 0.337 local terms energy: -71.296427 where: bonds (distance) C4'-P energy: -14.571 bonds (distance) P-C4' energy: -11.471 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -12.553 tors. eta vs tors. theta energy: -17.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -210.656358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.656358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.656358 (E_RNA) where: Base-Base interactions energy: -136.519 where: short stacking energy: -63.425 Base-Backbone interact. energy: -0.022 local terms energy: -74.114938 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -15.644 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -17.537 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: 5 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -202.403709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.403709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.403709 (E_RNA) where: Base-Base interactions energy: -135.931 where: short stacking energy: -52.275 Base-Backbone interact. energy: -0.805 local terms energy: -65.667877 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -14.720 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -14.804 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: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -199.494644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.494644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.494644 (E_RNA) where: Base-Base interactions energy: -132.446 where: short stacking energy: -59.968 Base-Backbone interact. energy: 0.274 local terms energy: -67.322198 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -9.984 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -85.865165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.865165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.865165 (E_RNA) where: Base-Base interactions energy: -38.006 where: short stacking energy: -22.790 Base-Backbone interact. energy: -0.330 local terms energy: -47.528856 where: bonds (distance) C4'-P energy: -9.442 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -11.220 tors. eta vs tors. theta energy: 0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -93.880384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.880384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.880384 (E_RNA) where: Base-Base interactions energy: -52.123 where: short stacking energy: -26.320 Base-Backbone interact. energy: -0.304 local terms energy: -41.453626 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -10.177 flat angles C4'-P-C4' energy: -10.305 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -76.392639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.392639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.392639 (E_RNA) where: Base-Base interactions energy: -28.238 where: short stacking energy: -26.298 Base-Backbone interact. energy: -0.253 local terms energy: -47.901350 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -9.640 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -5.474 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: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -78.258836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.258836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.258836 (E_RNA) where: Base-Base interactions energy: -31.800 where: short stacking energy: -27.941 Base-Backbone interact. energy: -0.160 local terms energy: -46.298838 where: bonds (distance) C4'-P energy: -11.685 bonds (distance) P-C4' energy: -10.493 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -7.727 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -217.116300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.116300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.116300 (E_RNA) where: Base-Base interactions energy: -144.964 where: short stacking energy: -59.793 Base-Backbone interact. energy: 0.384 local terms energy: -72.536204 where: bonds (distance) C4'-P energy: -13.983 bonds (distance) P-C4' energy: -15.418 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -11.699 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -219.148658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.148658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.148658 (E_RNA) where: Base-Base interactions energy: -147.098 where: short stacking energy: -66.964 Base-Backbone interact. energy: 0.433 local terms energy: -72.483474 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -15.802 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -18.045 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: 9 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -212.110448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.110448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.110448 (E_RNA) where: Base-Base interactions energy: -139.558 where: short stacking energy: -60.151 Base-Backbone interact. energy: -0.156 local terms energy: -72.396850 where: bonds (distance) C4'-P energy: -12.927 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -11.767 tors. eta vs tors. theta energy: -18.254 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: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -205.471369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.471369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.471369 (E_RNA) where: Base-Base interactions energy: -135.224 where: short stacking energy: -63.637 Base-Backbone interact. energy: -0.113 local terms energy: -70.135254 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -12.095 flat angles P-C4'-P energy: -13.985 tors. eta vs tors. theta energy: -18.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -206.268348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.268348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.268348 (E_RNA) where: Base-Base interactions energy: -134.246 where: short stacking energy: -62.842 Base-Backbone interact. energy: 0.125 local terms energy: -72.147969 where: bonds (distance) C4'-P energy: -13.355 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -14.852 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -20.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -202.937722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.937722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.937722 (E_RNA) where: Base-Base interactions energy: -133.063 where: short stacking energy: -50.287 Base-Backbone interact. energy: -0.206 local terms energy: -69.668634 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -13.389 flat angles C4'-P-C4' energy: -16.020 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -16.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -89.289932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.289932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.289932 (E_RNA) where: Base-Base interactions energy: -44.182 where: short stacking energy: -30.953 Base-Backbone interact. energy: -0.541 local terms energy: -44.567027 where: bonds (distance) C4'-P energy: -9.910 bonds (distance) P-C4' energy: -14.944 flat angles C4'-P-C4' energy: -14.549 flat angles P-C4'-P energy: -2.926 tors. eta vs tors. theta energy: -2.239 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: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -92.942503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.942503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.942503 (E_RNA) where: Base-Base interactions energy: -43.830 where: short stacking energy: -27.185 Base-Backbone interact. energy: -0.351 local terms energy: -48.761738 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -12.835 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -67.859382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.859382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.859382 (E_RNA) where: Base-Base interactions energy: -25.237 where: short stacking energy: -15.293 Base-Backbone interact. energy: 0.062 local terms energy: -42.684397 where: bonds (distance) C4'-P energy: -17.031 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -8.758 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: 3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -63.697568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.697568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.697568 (E_RNA) where: Base-Base interactions energy: -20.593 where: short stacking energy: -19.098 Base-Backbone interact. energy: 0.196 local terms energy: -43.301480 where: bonds (distance) C4'-P energy: -14.538 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -8.058 tors. eta vs tors. theta energy: -0.544 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: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -226.610114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.610114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.610114 (E_RNA) where: Base-Base interactions energy: -152.583 where: short stacking energy: -70.442 Base-Backbone interact. energy: 1.116 local terms energy: -75.143139 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -15.207 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -18.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -205.253365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.253365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.253365 (E_RNA) where: Base-Base interactions energy: -130.634 where: short stacking energy: -57.183 Base-Backbone interact. energy: -0.011 local terms energy: -74.607962 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -18.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -210.483646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.483646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.483646 (E_RNA) where: Base-Base interactions energy: -143.895 where: short stacking energy: -58.880 Base-Backbone interact. energy: -0.015 local terms energy: -66.573327 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -12.442 flat angles C4'-P-C4' energy: -17.310 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -209.666135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.666135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.666135 (E_RNA) where: Base-Base interactions energy: -145.422 where: short stacking energy: -65.363 Base-Backbone interact. energy: 0.259 local terms energy: -64.502506 where: bonds (distance) C4'-P energy: -10.021 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -10.604 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: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -209.298500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.298500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.298500 (E_RNA) where: Base-Base interactions energy: -146.466 where: short stacking energy: -67.831 Base-Backbone interact. energy: -0.013 local terms energy: -62.819711 where: bonds (distance) C4'-P energy: -12.184 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -4.632 tors. eta vs tors. theta energy: -20.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -196.080573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.080573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.080573 (E_RNA) where: Base-Base interactions energy: -125.484 where: short stacking energy: -62.949 Base-Backbone interact. energy: -0.426 local terms energy: -70.170773 where: bonds (distance) C4'-P energy: -15.768 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -12.215 tors. eta vs tors. theta energy: -15.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -79.208524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.208524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.208524 (E_RNA) where: Base-Base interactions energy: -34.146 where: short stacking energy: -21.695 Base-Backbone interact. energy: -0.466 local terms energy: -44.596499 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -11.116 flat angles C4'-P-C4' energy: -10.108 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: 0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -80.140339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.140339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.140339 (E_RNA) where: Base-Base interactions energy: -29.227 where: short stacking energy: -29.227 Base-Backbone interact. energy: -0.925 local terms energy: -49.987957 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -14.140 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -1.507 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: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -84.278610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.278610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.278610 (E_RNA) where: Base-Base interactions energy: -39.599 where: short stacking energy: -23.752 Base-Backbone interact. energy: -0.204 local terms energy: -44.475303 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: 1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -85.131240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.131240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.131240 (E_RNA) where: Base-Base interactions energy: -41.058 where: short stacking energy: -14.193 Base-Backbone interact. energy: -0.071 local terms energy: -44.001490 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.126 flat angles P-C4'-P energy: -8.132 tors. eta vs tors. theta energy: -0.028 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: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -226.621484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.621484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.621484 (E_RNA) where: Base-Base interactions energy: -150.972 where: short stacking energy: -64.870 Base-Backbone interact. energy: -0.068 local terms energy: -75.582107 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -15.431 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -10.658 tors. eta vs tors. theta energy: -16.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -209.287019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.287019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.287019 (E_RNA) where: Base-Base interactions energy: -139.829 where: short stacking energy: -66.183 Base-Backbone interact. energy: -0.164 local terms energy: -69.294202 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -12.359 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -22.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -214.607692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.607692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.607692 (E_RNA) where: Base-Base interactions energy: -139.961 where: short stacking energy: -63.376 Base-Backbone interact. energy: -0.006 local terms energy: -74.640843 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -16.096 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -19.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -214.424075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.424075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.424075 (E_RNA) where: Base-Base interactions energy: -144.548 where: short stacking energy: -62.572 Base-Backbone interact. energy: -0.050 local terms energy: -69.826259 where: bonds (distance) C4'-P energy: -15.809 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -212.497601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.497601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.497601 (E_RNA) where: Base-Base interactions energy: -139.314 where: short stacking energy: -64.189 Base-Backbone interact. energy: -0.651 local terms energy: -72.532290 where: bonds (distance) C4'-P energy: -12.138 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -18.173 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: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -204.958818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.958818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.958818 (E_RNA) where: Base-Base interactions energy: -132.983 where: short stacking energy: -65.332 Base-Backbone interact. energy: -0.638 local terms energy: -71.337364 where: bonds (distance) C4'-P energy: -8.884 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -12.263 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -89.138227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.138227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.138227 (E_RNA) where: Base-Base interactions energy: -38.686 where: short stacking energy: -26.868 Base-Backbone interact. energy: 0.306 local terms energy: -50.757623 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -94.893866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.893866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.893866 (E_RNA) where: Base-Base interactions energy: -33.114 where: short stacking energy: -33.114 Base-Backbone interact. energy: 2.321 local terms energy: -64.100733 where: bonds (distance) C4'-P energy: -16.588 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -7.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -87.021911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.021911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.021911 (E_RNA) where: Base-Base interactions energy: -35.708 where: short stacking energy: -25.419 Base-Backbone interact. energy: -0.125 local terms energy: -51.188629 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -12.544 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -10.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -82.327370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.327370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.327370 (E_RNA) where: Base-Base interactions energy: -34.217 where: short stacking energy: -34.217 Base-Backbone interact. energy: -0.097 local terms energy: -48.013028 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -0.701 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: 1, replica: 10 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -222.561325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.561325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.561325 (E_RNA) where: Base-Base interactions energy: -141.774 where: short stacking energy: -68.513 Base-Backbone interact. energy: -0.002 local terms energy: -80.784650 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -17.434 flat angles P-C4'-P energy: -12.123 tors. eta vs tors. theta energy: -19.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -224.316937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.316937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.316937 (E_RNA) where: Base-Base interactions energy: -148.180 where: short stacking energy: -66.669 Base-Backbone interact. energy: -1.117 local terms energy: -75.019664 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -17.136 flat angles P-C4'-P energy: -11.319 tors. eta vs tors. theta energy: -20.315 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -202.083030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.083030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.083030 (E_RNA) where: Base-Base interactions energy: -129.772 where: short stacking energy: -57.273 Base-Backbone interact. energy: -0.096 local terms energy: -72.215130 where: bonds (distance) C4'-P energy: -14.456 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: -16.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -203.224902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.224902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.224902 (E_RNA) where: Base-Base interactions energy: -130.980 where: short stacking energy: -62.106 Base-Backbone interact. energy: -0.327 local terms energy: -71.916980 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.483 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -17.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -205.238622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.238622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.238622 (E_RNA) where: Base-Base interactions energy: -139.678 where: short stacking energy: -57.963 Base-Backbone interact. energy: -1.714 local terms energy: -63.846518 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -9.303 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -19.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -200.855712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.855712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.855712 (E_RNA) where: Base-Base interactions energy: -133.712 where: short stacking energy: -51.516 Base-Backbone interact. energy: -0.571 local terms energy: -66.572687 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -17.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -92.254459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.254459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.254459 (E_RNA) where: Base-Base interactions energy: -41.897 where: short stacking energy: -38.199 Base-Backbone interact. energy: 0.674 local terms energy: -51.030897 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -8.763 tors. eta vs tors. theta energy: -5.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -77.097820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.097820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.097820 (E_RNA) where: Base-Base interactions energy: -24.354 where: short stacking energy: -19.887 Base-Backbone interact. energy: 0.210 local terms energy: -52.954168 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -15.164 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -72.050580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.050580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.050580 (E_RNA) where: Base-Base interactions energy: -32.120 where: short stacking energy: -24.877 Base-Backbone interact. energy: -0.108 local terms energy: -39.822425 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -77.269917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.269917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.269917 (E_RNA) where: Base-Base interactions energy: -25.522 where: short stacking energy: -18.774 Base-Backbone interact. energy: 0.603 local terms energy: -52.351295 where: bonds (distance) C4'-P energy: -12.799 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -7.995 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -219.967611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.967611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.967611 (E_RNA) where: Base-Base interactions energy: -148.754 where: short stacking energy: -68.450 Base-Backbone interact. energy: -2.422 local terms energy: -68.791369 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -20.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -207.113671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.113671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.113671 (E_RNA) where: Base-Base interactions energy: -131.312 where: short stacking energy: -61.088 Base-Backbone interact. energy: -0.062 local terms energy: -75.739355 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -11.861 tors. eta vs tors. theta energy: -20.055 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: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -220.249218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.249218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.249218 (E_RNA) where: Base-Base interactions energy: -150.552 where: short stacking energy: -72.647 Base-Backbone interact. energy: -0.006 local terms energy: -69.690441 where: bonds (distance) C4'-P energy: -9.572 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -10.766 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -208.949132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.949132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.949132 (E_RNA) where: Base-Base interactions energy: -136.970 where: short stacking energy: -57.201 Base-Backbone interact. energy: -1.268 local terms energy: -70.711093 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -15.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -197.296123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.296123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.296123 (E_RNA) where: Base-Base interactions energy: -133.573 where: short stacking energy: -65.373 Base-Backbone interact. energy: -0.516 local terms energy: -63.207579 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -15.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -201.130962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.130962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.130962 (E_RNA) where: Base-Base interactions energy: -137.562 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.011 local terms energy: -63.557992 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -84.819488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.819488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.819488 (E_RNA) where: Base-Base interactions energy: -30.892 where: short stacking energy: -26.432 Base-Backbone interact. energy: -0.027 local terms energy: -53.900317 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -14.956 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -81.633851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.633851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.633851 (E_RNA) where: Base-Base interactions energy: -28.211 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.037 local terms energy: -53.386462 where: bonds (distance) C4'-P energy: -10.478 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -7.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -80.701307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.701307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.701307 (E_RNA) where: Base-Base interactions energy: -29.510 where: short stacking energy: -26.940 Base-Backbone interact. energy: -0.237 local terms energy: -50.953993 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -16.812 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -8.756 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -72.211352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.211352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.211352 (E_RNA) where: Base-Base interactions energy: -21.639 where: short stacking energy: -21.639 Base-Backbone interact. energy: -0.280 local terms energy: -50.292108 where: bonds (distance) C4'-P energy: -9.988 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -10.730 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -220.612503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.612503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.612503 (E_RNA) where: Base-Base interactions energy: -148.139 where: short stacking energy: -73.207 Base-Backbone interact. energy: -1.675 local terms energy: -70.798331 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -13.890 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -21.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -208.998769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.998769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.998769 (E_RNA) where: Base-Base interactions energy: -137.820 where: short stacking energy: -55.694 Base-Backbone interact. energy: -1.009 local terms energy: -70.170654 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -213.992137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.992137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.992137 (E_RNA) where: Base-Base interactions energy: -140.636 where: short stacking energy: -69.324 Base-Backbone interact. energy: 0.309 local terms energy: -73.665090 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -16.284 flat angles C4'-P-C4' energy: -13.583 flat angles P-C4'-P energy: -12.163 tors. eta vs tors. theta energy: -19.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -204.108946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.108946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.108946 (E_RNA) where: Base-Base interactions energy: -146.699 where: short stacking energy: -54.731 Base-Backbone interact. energy: -0.166 local terms energy: -57.244639 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -9.583 flat angles C4'-P-C4' energy: -11.310 flat angles P-C4'-P energy: -8.412 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -201.355176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.355176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.355176 (E_RNA) where: Base-Base interactions energy: -135.350 where: short stacking energy: -64.325 Base-Backbone interact. energy: -0.763 local terms energy: -65.242361 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -15.606 flat angles P-C4'-P energy: -7.643 tors. eta vs tors. theta energy: -16.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -200.830627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.830627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.830627 (E_RNA) where: Base-Base interactions energy: -131.113 where: short stacking energy: -52.755 Base-Backbone interact. energy: -0.003 local terms energy: -69.714717 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -17.641 flat angles P-C4'-P energy: -8.976 tors. eta vs tors. theta energy: -17.389 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: 1 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -86.663369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.663369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.663369 (E_RNA) where: Base-Base interactions energy: -30.091 where: short stacking energy: -29.195 Base-Backbone interact. energy: -0.238 local terms energy: -56.333826 where: bonds (distance) C4'-P energy: -16.141 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -14.861 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -85.883712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.883712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.883712 (E_RNA) where: Base-Base interactions energy: -37.588 where: short stacking energy: -37.588 Base-Backbone interact. energy: -0.008 local terms energy: -48.287465 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -72.917418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.917418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.917418 (E_RNA) where: Base-Base interactions energy: -32.833 where: short stacking energy: -32.833 Base-Backbone interact. energy: -0.077 local terms energy: -40.006804 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -7.558 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -73.304382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.304382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.304382 (E_RNA) where: Base-Base interactions energy: -28.689 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.155 local terms energy: -44.459653 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: 0.480 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: 10 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -226.080822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.080822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.080822 (E_RNA) where: Base-Base interactions energy: -143.786 where: short stacking energy: -65.444 Base-Backbone interact. energy: -0.166 local terms energy: -82.128402 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -12.940 tors. eta vs tors. theta energy: -21.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -210.474051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.474051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.474051 (E_RNA) where: Base-Base interactions energy: -141.196 where: short stacking energy: -67.521 Base-Backbone interact. energy: -0.003 local terms energy: -69.275048 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -12.191 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -17.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -210.354247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.354247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.354247 (E_RNA) where: Base-Base interactions energy: -140.035 where: short stacking energy: -51.812 Base-Backbone interact. energy: -0.699 local terms energy: -69.620070 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -14.775 flat angles C4'-P-C4' energy: -16.593 flat angles P-C4'-P energy: -10.837 tors. eta vs tors. theta energy: -13.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -207.784936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.784936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.784936 (E_RNA) where: Base-Base interactions energy: -138.609 where: short stacking energy: -58.797 Base-Backbone interact. energy: 0.297 local terms energy: -69.472686 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -19.134 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: 2 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -200.120715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.120715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.120715 (E_RNA) where: Base-Base interactions energy: -130.698 where: short stacking energy: -54.131 Base-Backbone interact. energy: -0.478 local terms energy: -68.945211 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -12.155 flat angles C4'-P-C4' energy: -16.206 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -203.573883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.573883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.573883 (E_RNA) where: Base-Base interactions energy: -147.336 where: short stacking energy: -51.276 Base-Backbone interact. energy: -0.345 local terms energy: -55.892824 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -12.723 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -10.685 tors. eta vs tors. theta energy: -12.534 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: 1 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -84.313015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.313015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.313015 (E_RNA) where: Base-Base interactions energy: -33.217 where: short stacking energy: -25.996 Base-Backbone interact. energy: 0.291 local terms energy: -51.386703 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -84.047822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.047822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.047822 (E_RNA) where: Base-Base interactions energy: -33.153 where: short stacking energy: -33.153 Base-Backbone interact. energy: -0.268 local terms energy: -50.627226 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: 1.178 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: 8 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -68.407358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.407358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.407358 (E_RNA) where: Base-Base interactions energy: -18.707 where: short stacking energy: -17.194 Base-Backbone interact. energy: 0.699 local terms energy: -50.399315 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: 0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -65.395269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.395269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.395269 (E_RNA) where: Base-Base interactions energy: -24.086 where: short stacking energy: -21.060 Base-Backbone interact. energy: -0.106 local terms energy: -41.203060 where: bonds (distance) C4'-P energy: -6.903 bonds (distance) P-C4' energy: -5.615 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -6.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -222.233912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.233912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.233912 (E_RNA) where: Base-Base interactions energy: -148.946 where: short stacking energy: -63.568 Base-Backbone interact. energy: -1.693 local terms energy: -71.595038 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -11.398 flat angles C4'-P-C4' energy: -17.079 flat angles P-C4'-P energy: -9.807 tors. eta vs tors. theta energy: -19.166 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: 2, replica: 7 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -221.824585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.824585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.824585 (E_RNA) where: Base-Base interactions energy: -145.401 where: short stacking energy: -67.362 Base-Backbone interact. energy: -0.013 local terms energy: -76.410568 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -15.940 flat angles P-C4'-P energy: -11.673 tors. eta vs tors. theta energy: -18.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -210.890716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.890716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.890716 (E_RNA) where: Base-Base interactions energy: -131.612 where: short stacking energy: -63.858 Base-Backbone interact. energy: 0.000 local terms energy: -79.278670 where: bonds (distance) C4'-P energy: -14.551 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -13.241 tors. eta vs tors. theta energy: -20.619 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: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -193.810556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.810556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.810556 (E_RNA) where: Base-Base interactions energy: -125.637 where: short stacking energy: -52.762 Base-Backbone interact. energy: -0.504 local terms energy: -67.668958 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -14.697 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: -16.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -199.132537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.132537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.132537 (E_RNA) where: Base-Base interactions energy: -130.230 where: short stacking energy: -62.730 Base-Backbone interact. energy: -0.995 local terms energy: -67.908312 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -12.911 flat angles P-C4'-P energy: -10.009 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: 6, replica: 2 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -190.431463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.431463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.431463 (E_RNA) where: Base-Base interactions energy: -128.195 where: short stacking energy: -58.191 Base-Backbone interact. energy: -0.016 local terms energy: -62.219598 where: bonds (distance) C4'-P energy: -8.311 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -15.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -118.234625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.234625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.234625 (E_RNA) where: Base-Base interactions energy: -67.070 where: short stacking energy: -34.575 Base-Backbone interact. energy: 0.747 local terms energy: -51.912080 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -13.503 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -7.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -82.237732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.237732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.237732 (E_RNA) where: Base-Base interactions energy: -32.029 where: short stacking energy: -22.986 Base-Backbone interact. energy: -0.047 local terms energy: -50.161782 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -3.204 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: 6 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -82.306953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.306953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.306953 (E_RNA) where: Base-Base interactions energy: -28.788 where: short stacking energy: -24.253 Base-Backbone interact. energy: -0.156 local terms energy: -53.363218 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -10.231 tors. eta vs tors. theta energy: -1.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -69.600753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.600753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.600753 (E_RNA) where: Base-Base interactions energy: -31.848 where: short stacking energy: -31.848 Base-Backbone interact. energy: -0.054 local terms energy: -37.698546 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: 1.355 flat angles C4'-P-C4' energy: -8.123 flat angles P-C4'-P energy: -8.964 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -225.549641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.549641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.549641 (E_RNA) where: Base-Base interactions energy: -148.305 where: short stacking energy: -61.585 Base-Backbone interact. energy: -2.326 local terms energy: -74.918784 where: bonds (distance) C4'-P energy: -14.724 bonds (distance) P-C4' energy: -14.487 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -19.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -215.170606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.170606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.170606 (E_RNA) where: Base-Base interactions energy: -141.011 where: short stacking energy: -62.377 Base-Backbone interact. energy: -0.004 local terms energy: -74.155134 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -15.325 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -19.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -209.358018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.358018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.358018 (E_RNA) where: Base-Base interactions energy: -138.262 where: short stacking energy: -63.322 Base-Backbone interact. energy: -0.449 local terms energy: -70.647071 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -201.337266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.337266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.337266 (E_RNA) where: Base-Base interactions energy: -124.505 where: short stacking energy: -57.655 Base-Backbone interact. energy: -0.001 local terms energy: -76.831795 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -16.399 flat angles C4'-P-C4' energy: -17.397 flat angles P-C4'-P energy: -8.934 tors. eta vs tors. theta energy: -19.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -212.049516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.049516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.049516 (E_RNA) where: Base-Base interactions energy: -142.144 where: short stacking energy: -61.784 Base-Backbone interact. energy: -0.001 local terms energy: -69.904982 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -20.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -203.539561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.539561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.539561 (E_RNA) where: Base-Base interactions energy: -129.700 where: short stacking energy: -61.101 Base-Backbone interact. energy: -1.914 local terms energy: -71.925413 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -12.524 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -22.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -118.777819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.777819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.777819 (E_RNA) where: Base-Base interactions energy: -67.954 where: short stacking energy: -34.727 Base-Backbone interact. energy: -0.216 local terms energy: -50.606877 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -15.373 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -6.843 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: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -83.996012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.996012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.996012 (E_RNA) where: Base-Base interactions energy: -32.471 where: short stacking energy: -26.481 Base-Backbone interact. energy: -1.027 local terms energy: -50.498628 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -16.513 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -2.195 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: 6 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -78.043531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.043531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.043531 (E_RNA) where: Base-Base interactions energy: -19.898 where: short stacking energy: -19.898 Base-Backbone interact. energy: -0.095 local terms energy: -58.050630 where: bonds (distance) C4'-P energy: -15.884 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -9.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -81.983459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.983459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.983459 (E_RNA) where: Base-Base interactions energy: -30.582 where: short stacking energy: -30.582 Base-Backbone interact. energy: -0.003 local terms energy: -51.398550 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -10.107 flat angles C4'-P-C4' energy: -14.519 flat angles P-C4'-P energy: -10.014 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: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -220.090607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.090607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.090607 (E_RNA) where: Base-Base interactions energy: -145.532 where: short stacking energy: -61.551 Base-Backbone interact. energy: -0.025 local terms energy: -74.533374 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -16.226 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -12.366 tors. eta vs tors. theta energy: -17.240 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: 10 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -216.790355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.790355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.790355 (E_RNA) where: Base-Base interactions energy: -146.656 where: short stacking energy: -64.151 Base-Backbone interact. energy: -0.012 local terms energy: -70.122551 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -16.752 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -215.127503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.127503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.127503 (E_RNA) where: Base-Base interactions energy: -144.837 where: short stacking energy: -72.411 Base-Backbone interact. energy: -0.000 local terms energy: -70.289703 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -20.876 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: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -209.862097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.862097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.862097 (E_RNA) where: Base-Base interactions energy: -138.423 where: short stacking energy: -64.250 Base-Backbone interact. energy: -0.016 local terms energy: -71.422227 where: bonds (distance) C4'-P energy: -14.882 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -17.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -216.779360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.779360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.779360 (E_RNA) where: Base-Base interactions energy: -137.619 where: short stacking energy: -62.834 Base-Backbone interact. energy: -2.734 local terms energy: -76.426179 where: bonds (distance) C4'-P energy: -14.489 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -16.075 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -20.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -199.865245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.865245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.865245 (E_RNA) where: Base-Base interactions energy: -129.326 where: short stacking energy: -51.896 Base-Backbone interact. energy: -0.002 local terms energy: -70.537940 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -16.105 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: 4 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -127.768312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.768312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.768312 (E_RNA) where: Base-Base interactions energy: -72.038 where: short stacking energy: -38.332 Base-Backbone interact. energy: -0.204 local terms energy: -55.526897 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -95.264986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.264986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.264986 (E_RNA) where: Base-Base interactions energy: -44.953 where: short stacking energy: -21.086 Base-Backbone interact. energy: -0.049 local terms energy: -50.263136 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -11.204 tors. eta vs tors. theta energy: -0.322 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: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -78.111510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.111510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.111510 (E_RNA) where: Base-Base interactions energy: -25.031 where: short stacking energy: -25.031 Base-Backbone interact. energy: -0.189 local terms energy: -52.891588 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -75.225565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.225565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.225565 (E_RNA) where: Base-Base interactions energy: -22.178 where: short stacking energy: -20.911 Base-Backbone interact. energy: -0.114 local terms energy: -52.933703 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -3.353 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: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -214.700778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.700778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.700778 (E_RNA) where: Base-Base interactions energy: -142.366 where: short stacking energy: -58.839 Base-Backbone interact. energy: 0.122 local terms energy: -72.456760 where: bonds (distance) C4'-P energy: -15.992 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -10.198 tors. eta vs tors. theta energy: -21.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -215.666605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.666605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.666605 (E_RNA) where: Base-Base interactions energy: -141.163 where: short stacking energy: -63.209 Base-Backbone interact. energy: -0.157 local terms energy: -74.345927 where: bonds (distance) C4'-P energy: -11.765 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -16.441 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -21.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -211.940593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.940593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.940593 (E_RNA) where: Base-Base interactions energy: -138.000 where: short stacking energy: -61.406 Base-Backbone interact. energy: -0.029 local terms energy: -73.912272 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -16.689 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: 4, replica: 3 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -211.872844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.872844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.872844 (E_RNA) where: Base-Base interactions energy: -140.631 where: short stacking energy: -62.897 Base-Backbone interact. energy: -0.001 local terms energy: -71.240888 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -11.886 flat angles P-C4'-P energy: -14.303 tors. eta vs tors. theta energy: -19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -208.517169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.517169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.517169 (E_RNA) where: Base-Base interactions energy: -136.033 where: short stacking energy: -55.316 Base-Backbone interact. energy: -2.183 local terms energy: -70.301719 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -16.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -191.210666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.210666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.210666 (E_RNA) where: Base-Base interactions energy: -126.028 where: short stacking energy: -49.512 Base-Backbone interact. energy: -0.191 local terms energy: -64.991940 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -14.287 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -16.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -129.143135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.143135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.143135 (E_RNA) where: Base-Base interactions energy: -72.564 where: short stacking energy: -38.745 Base-Backbone interact. energy: -0.074 local terms energy: -56.505270 where: bonds (distance) C4'-P energy: -14.020 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -10.697 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -8.474 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: 1 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -84.599056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.599056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.599056 (E_RNA) where: Base-Base interactions energy: -30.924 where: short stacking energy: -22.204 Base-Backbone interact. energy: -0.316 local terms energy: -53.359969 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -3.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -78.994126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.994126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.994126 (E_RNA) where: Base-Base interactions energy: -33.761 where: short stacking energy: -28.065 Base-Backbone interact. energy: -0.026 local terms energy: -45.207279 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -10.625 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -4.217 tors. eta vs tors. theta energy: -3.251 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: 10, replica: 6 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -68.036035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.036035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.036035 (E_RNA) where: Base-Base interactions energy: -16.862 where: short stacking energy: -17.062 Base-Backbone interact. energy: -0.188 local terms energy: -50.986094 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -12.938 flat angles C4'-P-C4' energy: -12.852 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -219.184696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.184696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.184696 (E_RNA) where: Base-Base interactions energy: -148.069 where: short stacking energy: -52.446 Base-Backbone interact. energy: 0.399 local terms energy: -71.514793 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -18.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -217.452569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.452569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.452569 (E_RNA) where: Base-Base interactions energy: -143.625 where: short stacking energy: -59.545 Base-Backbone interact. energy: -0.001 local terms energy: -73.825851 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -19.007 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: 480 Temperature: 1.000000 Total energy: -223.991417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.991417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.991417 (E_RNA) where: Base-Base interactions energy: -142.959 where: short stacking energy: -64.344 Base-Backbone interact. energy: -0.013 local terms energy: -81.019564 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -14.268 tors. eta vs tors. theta energy: -20.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -203.406001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.406001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.406001 (E_RNA) where: Base-Base interactions energy: -136.539 where: short stacking energy: -51.771 Base-Backbone interact. energy: 0.493 local terms energy: -67.360018 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -12.198 flat angles C4'-P-C4' energy: -16.147 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -13.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -189.320529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.320529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.320529 (E_RNA) where: Base-Base interactions energy: -131.119 where: short stacking energy: -52.585 Base-Backbone interact. energy: -0.101 local terms energy: -58.100319 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -13.579 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: -10.296 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: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -200.158834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.158834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.158834 (E_RNA) where: Base-Base interactions energy: -132.586 where: short stacking energy: -53.265 Base-Backbone interact. energy: -1.327 local terms energy: -66.246019 where: bonds (distance) C4'-P energy: -13.979 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -14.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -124.922671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.922671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.922671 (E_RNA) where: Base-Base interactions energy: -67.031 where: short stacking energy: -36.144 Base-Backbone interact. energy: 0.549 local terms energy: -58.440826 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -18.032 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -90.039952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.039952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.039952 (E_RNA) where: Base-Base interactions energy: -33.859 where: short stacking energy: -33.859 Base-Backbone interact. energy: -0.009 local terms energy: -56.171985 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -6.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -68.835986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.835986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.835986 (E_RNA) where: Base-Base interactions energy: -23.044 where: short stacking energy: -21.717 Base-Backbone interact. energy: 1.643 local terms energy: -47.434848 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: 2.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -82.192783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.192783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.192783 (E_RNA) where: Base-Base interactions energy: -41.268 where: short stacking energy: -25.120 Base-Backbone interact. energy: -0.279 local terms energy: -40.646396 where: bonds (distance) C4'-P energy: -11.439 bonds (distance) P-C4' energy: -10.756 flat angles C4'-P-C4' energy: -11.097 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -1.282 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: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -219.405357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.405357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.405357 (E_RNA) where: Base-Base interactions energy: -145.277 where: short stacking energy: -66.891 Base-Backbone interact. energy: -0.002 local terms energy: -74.125692 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -10.777 tors. eta vs tors. theta energy: -18.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -212.604251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.604251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.604251 (E_RNA) where: Base-Base interactions energy: -136.536 where: short stacking energy: -61.546 Base-Backbone interact. energy: -0.360 local terms energy: -75.708227 where: bonds (distance) C4'-P energy: -15.938 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -14.677 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -15.292 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: 7 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -208.852548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.852548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.852548 (E_RNA) where: Base-Base interactions energy: -135.529 where: short stacking energy: -53.311 Base-Backbone interact. energy: -0.280 local terms energy: -73.044049 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -15.488 flat angles P-C4'-P energy: -10.525 tors. eta vs tors. theta energy: -18.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -202.951817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.951817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.951817 (E_RNA) where: Base-Base interactions energy: -135.810 where: short stacking energy: -58.260 Base-Backbone interact. energy: -0.001 local terms energy: -67.140205 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -13.365 tors. eta vs tors. theta energy: -15.079 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -211.243210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.243210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.243210 (E_RNA) where: Base-Base interactions energy: -134.934 where: short stacking energy: -62.878 Base-Backbone interact. energy: -1.343 local terms energy: -74.966180 where: bonds (distance) C4'-P energy: -14.675 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -20.175 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: 5 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -197.312314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.312314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.312314 (E_RNA) where: Base-Base interactions energy: -136.155 where: short stacking energy: -55.306 Base-Backbone interact. energy: -0.223 local terms energy: -60.933763 where: bonds (distance) C4'-P energy: -10.548 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -13.468 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -12.877 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: 7, replica: 4 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -92.642760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.642760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.642760 (E_RNA) where: Base-Base interactions energy: -35.814 where: short stacking energy: -34.736 Base-Backbone interact. energy: 0.943 local terms energy: -57.772182 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -13.487 tors. eta vs tors. theta energy: -11.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -87.539662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.539662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.539662 (E_RNA) where: Base-Base interactions energy: -32.845 where: short stacking energy: -32.845 Base-Backbone interact. energy: -0.004 local terms energy: -54.690515 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -11.425 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -8.274 tors. eta vs tors. theta energy: -6.552 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: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -77.619745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.619745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.619745 (E_RNA) where: Base-Base interactions energy: -29.746 where: short stacking energy: -27.899 Base-Backbone interact. energy: -0.015 local terms energy: -47.857986 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -3.786 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: 8 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -68.418606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.418606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.418606 (E_RNA) where: Base-Base interactions energy: -22.988 where: short stacking energy: -19.388 Base-Backbone interact. energy: -0.403 local terms energy: -45.027660 where: bonds (distance) C4'-P energy: -15.469 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -219.823875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.823875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.823875 (E_RNA) where: Base-Base interactions energy: -139.707 where: short stacking energy: -72.762 Base-Backbone interact. energy: -1.029 local terms energy: -79.087991 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -23.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -212.064684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.064684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.064684 (E_RNA) where: Base-Base interactions energy: -138.863 where: short stacking energy: -61.554 Base-Backbone interact. energy: -0.004 local terms energy: -73.197490 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -16.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -206.370606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.370606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.370606 (E_RNA) where: Base-Base interactions energy: -137.435 where: short stacking energy: -53.779 Base-Backbone interact. energy: -0.001 local terms energy: -68.935000 where: bonds (distance) C4'-P energy: -8.158 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -13.627 tors. eta vs tors. theta energy: -17.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -209.372139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.372139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.372139 (E_RNA) where: Base-Base interactions energy: -135.892 where: short stacking energy: -69.044 Base-Backbone interact. energy: 0.847 local terms energy: -74.326626 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -15.600 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -20.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -198.378262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.378262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.378262 (E_RNA) where: Base-Base interactions energy: -133.475 where: short stacking energy: -60.363 Base-Backbone interact. energy: -0.077 local terms energy: -64.826279 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -12.266 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -19.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -194.266122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.266122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.266122 (E_RNA) where: Base-Base interactions energy: -130.147 where: short stacking energy: -58.563 Base-Backbone interact. energy: -0.028 local terms energy: -64.090973 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -7.534 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -94.747205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.747205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.747205 (E_RNA) where: Base-Base interactions energy: -42.895 where: short stacking energy: -32.821 Base-Backbone interact. energy: -0.352 local terms energy: -51.500178 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -11.287 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -4.734 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: 4 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -88.268151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.268151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.268151 (E_RNA) where: Base-Base interactions energy: -32.260 where: short stacking energy: -30.612 Base-Backbone interact. energy: -0.172 local terms energy: -55.836352 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -79.477694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.477694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.477694 (E_RNA) where: Base-Base interactions energy: -32.163 where: short stacking energy: -25.583 Base-Backbone interact. energy: 1.085 local terms energy: -48.399071 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -7.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -72.561656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.561656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.561656 (E_RNA) where: Base-Base interactions energy: -21.360 where: short stacking energy: -21.360 Base-Backbone interact. energy: -0.120 local terms energy: -51.081724 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -9.301 tors. eta vs tors. theta energy: -3.017 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: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -220.026240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.026240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.026240 (E_RNA) where: Base-Base interactions energy: -146.520 where: short stacking energy: -63.508 Base-Backbone interact. energy: 0.049 local terms energy: -73.555732 where: bonds (distance) C4'-P energy: -13.536 bonds (distance) P-C4' energy: -14.094 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -19.882 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -212.423060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.423060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.423060 (E_RNA) where: Base-Base interactions energy: -138.318 where: short stacking energy: -56.567 Base-Backbone interact. energy: -1.082 local terms energy: -73.022314 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -18.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -206.923732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.923732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.923732 (E_RNA) where: Base-Base interactions energy: -143.188 where: short stacking energy: -62.446 Base-Backbone interact. energy: -0.041 local terms energy: -63.694015 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -210.478273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.478273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.478273 (E_RNA) where: Base-Base interactions energy: -142.305 where: short stacking energy: -56.695 Base-Backbone interact. energy: -0.074 local terms energy: -68.099514 where: bonds (distance) C4'-P energy: -11.671 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -14.473 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -17.762 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: 7 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -200.429800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.429800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.429800 (E_RNA) where: Base-Base interactions energy: -136.747 where: short stacking energy: -57.315 Base-Backbone interact. energy: -0.008 local terms energy: -63.674613 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -15.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -194.338891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.338891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.338891 (E_RNA) where: Base-Base interactions energy: -126.786 where: short stacking energy: -53.278 Base-Backbone interact. energy: -0.106 local terms energy: -67.446816 where: bonds (distance) C4'-P energy: -12.459 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -9.211 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: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -103.982007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.982007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.982007 (E_RNA) where: Base-Base interactions energy: -53.259 where: short stacking energy: -26.020 Base-Backbone interact. energy: -0.256 local terms energy: -50.466675 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -12.907 flat angles C4'-P-C4' energy: -14.686 flat angles P-C4'-P energy: -7.912 tors. eta vs tors. theta energy: 1.048 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: 8 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -81.302820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.302820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.302820 (E_RNA) where: Base-Base interactions energy: -28.464 where: short stacking energy: -28.464 Base-Backbone interact. energy: -0.008 local terms energy: -52.830057 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -15.183 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -3.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -82.067335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.067335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.067335 (E_RNA) where: Base-Base interactions energy: -31.829 where: short stacking energy: -31.929 Base-Backbone interact. energy: -0.276 local terms energy: -49.962077 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -13.691 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -72.417574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.417574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.417574 (E_RNA) where: Base-Base interactions energy: -22.610 where: short stacking energy: -16.572 Base-Backbone interact. energy: -0.056 local terms energy: -49.750745 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -11.947 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -11.167 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -215.980237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.980237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.980237 (E_RNA) where: Base-Base interactions energy: -140.052 where: short stacking energy: -61.648 Base-Backbone interact. energy: -0.011 local terms energy: -75.916788 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -14.706 flat angles P-C4'-P energy: -11.500 tors. eta vs tors. theta energy: -20.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -214.601050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.601050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.601050 (E_RNA) where: Base-Base interactions energy: -144.061 where: short stacking energy: -65.343 Base-Backbone interact. energy: -0.012 local terms energy: -70.528440 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -16.169 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -18.084 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: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -202.299393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.299393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.299393 (E_RNA) where: Base-Base interactions energy: -139.423 where: short stacking energy: -61.685 Base-Backbone interact. energy: -0.174 local terms energy: -62.702053 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -14.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -198.006241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.006241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.006241 (E_RNA) where: Base-Base interactions energy: -127.949 where: short stacking energy: -56.391 Base-Backbone interact. energy: -0.892 local terms energy: -69.164888 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -12.605 flat angles C4'-P-C4' energy: -16.845 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -15.357 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: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -193.922151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.922151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.922151 (E_RNA) where: Base-Base interactions energy: -130.342 where: short stacking energy: -54.105 Base-Backbone interact. energy: -1.937 local terms energy: -61.643671 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -16.263 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: 6, replica: 7 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -200.110966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.110966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.110966 (E_RNA) where: Base-Base interactions energy: -132.260 where: short stacking energy: -59.232 Base-Backbone interact. energy: -0.639 local terms energy: -67.211213 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -18.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -81.377006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.377006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.377006 (E_RNA) where: Base-Base interactions energy: -34.610 where: short stacking energy: -24.635 Base-Backbone interact. energy: 0.559 local terms energy: -47.325331 where: bonds (distance) C4'-P energy: -7.643 bonds (distance) P-C4' energy: -16.084 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -8.461 tors. eta vs tors. theta energy: -1.976 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: 8, replica: 6 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -82.300815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.300815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.300815 (E_RNA) where: Base-Base interactions energy: -31.902 where: short stacking energy: -31.902 Base-Backbone interact. energy: -0.138 local terms energy: -50.261106 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -10.834 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -84.032361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.032361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.032361 (E_RNA) where: Base-Base interactions energy: -30.851 where: short stacking energy: -23.845 Base-Backbone interact. energy: -0.053 local terms energy: -53.127841 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -12.225 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -8.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -66.178693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.178693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.178693 (E_RNA) where: Base-Base interactions energy: -25.225 where: short stacking energy: -19.328 Base-Backbone interact. energy: -0.385 local terms energy: -40.568417 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -9.699 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: 0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -215.759072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.759072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.759072 (E_RNA) where: Base-Base interactions energy: -138.543 where: short stacking energy: -63.365 Base-Backbone interact. energy: -0.003 local terms energy: -77.213275 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -16.303 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -12.505 tors. eta vs tors. theta energy: -18.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -211.429321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.429321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.429321 (E_RNA) where: Base-Base interactions energy: -142.150 where: short stacking energy: -60.989 Base-Backbone interact. energy: -0.324 local terms energy: -68.956150 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -212.391602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.391602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.391602 (E_RNA) where: Base-Base interactions energy: -144.044 where: short stacking energy: -60.297 Base-Backbone interact. energy: -0.714 local terms energy: -67.633538 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -15.590 flat angles P-C4'-P energy: -11.290 tors. eta vs tors. theta energy: -16.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -206.444448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.444448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.444448 (E_RNA) where: Base-Base interactions energy: -138.827 where: short stacking energy: -65.129 Base-Backbone interact. energy: -0.215 local terms energy: -67.402947 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -11.129 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -9.355 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -195.627284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.627284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.627284 (E_RNA) where: Base-Base interactions energy: -130.860 where: short stacking energy: -59.471 Base-Backbone interact. energy: -1.922 local terms energy: -62.844749 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -8.602 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -19.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -200.418029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.418029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.418029 (E_RNA) where: Base-Base interactions energy: -135.645 where: short stacking energy: -64.238 Base-Backbone interact. energy: -0.084 local terms energy: -64.688998 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -15.624 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -19.791 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: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -79.683962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.683962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.683962 (E_RNA) where: Base-Base interactions energy: -32.703 where: short stacking energy: -17.519 Base-Backbone interact. energy: -0.089 local terms energy: -46.892397 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -15.493 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -83.154657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.154657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.154657 (E_RNA) where: Base-Base interactions energy: -30.926 where: short stacking energy: -30.926 Base-Backbone interact. energy: -0.071 local terms energy: -52.158000 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -7.972 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -79.481369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.481369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.481369 (E_RNA) where: Base-Base interactions energy: -25.966 where: short stacking energy: -25.966 Base-Backbone interact. energy: -0.111 local terms energy: -53.404304 where: bonds (distance) C4'-P energy: -12.311 bonds (distance) P-C4' energy: -14.163 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -12.414 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -69.627605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.627605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.627605 (E_RNA) where: Base-Base interactions energy: -26.135 where: short stacking energy: -15.577 Base-Backbone interact. energy: -0.332 local terms energy: -43.160084 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -10.597 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: 1.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -225.298407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.298407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.298407 (E_RNA) where: Base-Base interactions energy: -148.207 where: short stacking energy: -65.927 Base-Backbone interact. energy: -0.055 local terms energy: -77.036697 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -16.790 flat angles C4'-P-C4' energy: -17.613 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -226.330925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.330925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.330925 (E_RNA) where: Base-Base interactions energy: -147.172 where: short stacking energy: -61.431 Base-Backbone interact. energy: -0.043 local terms energy: -79.116127 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -13.618 tors. eta vs tors. theta energy: -18.413 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: 3, replica: 10 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -207.306928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.306928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.306928 (E_RNA) where: Base-Base interactions energy: -133.910 where: short stacking energy: -58.657 Base-Backbone interact. energy: -0.305 local terms energy: -73.091974 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -16.717 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -18.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -216.084605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.084605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.084605 (E_RNA) where: Base-Base interactions energy: -143.467 where: short stacking energy: -56.052 Base-Backbone interact. energy: -0.373 local terms energy: -72.244853 where: bonds (distance) C4'-P energy: -14.164 bonds (distance) P-C4' energy: -17.266 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -197.987802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.987802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.987802 (E_RNA) where: Base-Base interactions energy: -134.298 where: short stacking energy: -61.573 Base-Backbone interact. energy: -0.191 local terms energy: -63.498902 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -12.406 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -15.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -190.229954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.229954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.229954 (E_RNA) where: Base-Base interactions energy: -123.983 where: short stacking energy: -57.888 Base-Backbone interact. energy: -1.099 local terms energy: -65.147600 where: bonds (distance) C4'-P energy: -14.767 bonds (distance) P-C4' energy: -13.456 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -16.646 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: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -86.710830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.710830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.710830 (E_RNA) where: Base-Base interactions energy: -32.949 where: short stacking energy: -32.949 Base-Backbone interact. energy: -0.190 local terms energy: -53.571677 where: bonds (distance) C4'-P energy: -10.634 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -81.154066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.154066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.154066 (E_RNA) where: Base-Base interactions energy: -32.721 where: short stacking energy: -32.721 Base-Backbone interact. energy: -0.171 local terms energy: -48.261997 where: bonds (distance) C4'-P energy: -10.337 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -76.402510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.402510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.402510 (E_RNA) where: Base-Base interactions energy: -33.844 where: short stacking energy: -18.150 Base-Backbone interact. energy: -0.062 local terms energy: -42.496469 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -3.473 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: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -79.478884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.478884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.478884 (E_RNA) where: Base-Base interactions energy: -36.024 where: short stacking energy: -36.024 Base-Backbone interact. energy: 0.117 local terms energy: -43.571289 where: bonds (distance) C4'-P energy: -10.757 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -2.501 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: 5 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -223.963032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.963032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.963032 (E_RNA) where: Base-Base interactions energy: -146.548 where: short stacking energy: -69.379 Base-Backbone interact. energy: -0.026 local terms energy: -77.389307 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -16.989 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -21.188 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: 2, replica: 10 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -220.017930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.017930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.017930 (E_RNA) where: Base-Base interactions energy: -138.789 where: short stacking energy: -66.410 Base-Backbone interact. energy: -0.000 local terms energy: -81.228856 where: bonds (distance) C4'-P energy: -15.523 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -19.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -200.144418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.144418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.144418 (E_RNA) where: Base-Base interactions energy: -135.817 where: short stacking energy: -53.831 Base-Backbone interact. energy: 0.015 local terms energy: -64.342145 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -10.147 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -16.094 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: 4, replica: 9 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -200.094180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.094180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.094180 (E_RNA) where: Base-Base interactions energy: -130.883 where: short stacking energy: -65.568 Base-Backbone interact. energy: -0.002 local terms energy: -69.209591 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -19.048 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: 5, replica: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -202.362057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.362057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.362057 (E_RNA) where: Base-Base interactions energy: -132.604 where: short stacking energy: -60.016 Base-Backbone interact. energy: -0.252 local terms energy: -69.505815 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -11.735 tors. eta vs tors. theta energy: -16.796 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: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -194.856492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.856492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.856492 (E_RNA) where: Base-Base interactions energy: -137.359 where: short stacking energy: -51.393 Base-Backbone interact. energy: 1.440 local terms energy: -58.937294 where: bonds (distance) C4'-P energy: -16.071 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -10.561 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -77.455113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.455113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.455113 (E_RNA) where: Base-Base interactions energy: -27.757 where: short stacking energy: -23.674 Base-Backbone interact. energy: -0.136 local terms energy: -49.562142 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -12.693 tors. eta vs tors. theta energy: -1.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -86.972302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.972302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.972302 (E_RNA) where: Base-Base interactions energy: -36.963 where: short stacking energy: -36.963 Base-Backbone interact. energy: -0.004 local terms energy: -50.004543 where: bonds (distance) C4'-P energy: -13.060 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -12.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -72.008621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.008621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.008621 (E_RNA) where: Base-Base interactions energy: -26.349 where: short stacking energy: -23.083 Base-Backbone interact. energy: -1.324 local terms energy: -44.335858 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -11.033 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -74.223359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.223359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.223359 (E_RNA) where: Base-Base interactions energy: -30.430 where: short stacking energy: -30.430 Base-Backbone interact. energy: -0.153 local terms energy: -43.640273 where: bonds (distance) C4'-P energy: -14.990 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: 0.606 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: 1, replica: 10 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -221.518628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.518628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.518628 (E_RNA) where: Base-Base interactions energy: -141.148 where: short stacking energy: -70.381 Base-Backbone interact. energy: -1.565 local terms energy: -78.805918 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -14.759 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -22.247 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: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -216.441147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.441147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.441147 (E_RNA) where: Base-Base interactions energy: -137.375 where: short stacking energy: -63.186 Base-Backbone interact. energy: -1.805 local terms energy: -77.261054 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -16.304 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -22.788 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: 9 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -214.147649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.147649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.147649 (E_RNA) where: Base-Base interactions energy: -139.730 where: short stacking energy: -62.139 Base-Backbone interact. energy: 0.177 local terms energy: -74.594843 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -21.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -200.301824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.301824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.301824 (E_RNA) where: Base-Base interactions energy: -134.231 where: short stacking energy: -53.999 Base-Backbone interact. energy: -0.028 local terms energy: -66.042366 where: bonds (distance) C4'-P energy: -14.745 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -10.835 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -16.148 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -202.241259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.241259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.241259 (E_RNA) where: Base-Base interactions energy: -135.039 where: short stacking energy: -65.892 Base-Backbone interact. energy: -0.007 local terms energy: -67.195992 where: bonds (distance) C4'-P energy: -16.194 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -13.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -196.763359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.763359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.763359 (E_RNA) where: Base-Base interactions energy: -124.806 where: short stacking energy: -57.393 Base-Backbone interact. energy: -0.300 local terms energy: -71.656872 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -17.283 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: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -74.448719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.448719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.448719 (E_RNA) where: Base-Base interactions energy: -30.610 where: short stacking energy: -28.313 Base-Backbone interact. energy: -1.838 local terms energy: -42.001431 where: bonds (distance) C4'-P energy: -10.292 bonds (distance) P-C4' energy: -8.285 flat angles C4'-P-C4' energy: -11.216 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -4.886 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: 6 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -80.518905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.518905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.518905 (E_RNA) where: Base-Base interactions energy: -34.275 where: short stacking energy: -29.900 Base-Backbone interact. energy: -0.301 local terms energy: -45.943519 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -8.911 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -73.557082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.557082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.557082 (E_RNA) where: Base-Base interactions energy: -23.656 where: short stacking energy: -18.252 Base-Backbone interact. energy: 0.733 local terms energy: -50.634096 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -13.672 flat angles C4'-P-C4' energy: -14.925 flat angles P-C4'-P energy: -10.566 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -74.751751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.751751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.751751 (E_RNA) where: Base-Base interactions energy: -36.659 where: short stacking energy: -28.233 Base-Backbone interact. energy: -0.849 local terms energy: -37.243454 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -10.258 flat angles C4'-P-C4' energy: -9.696 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: 1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -223.420478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.420478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.420478 (E_RNA) where: Base-Base interactions energy: -149.790 where: short stacking energy: -60.277 Base-Backbone interact. energy: -0.094 local terms energy: -73.536741 where: bonds (distance) C4'-P energy: -16.827 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -17.318 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: 489 Temperature: 0.950000 Total energy: -214.830966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.830966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.830966 (E_RNA) where: Base-Base interactions energy: -142.077 where: short stacking energy: -59.155 Base-Backbone interact. energy: -0.538 local terms energy: -72.215676 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -20.155 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: 5 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -215.381310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.381310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.381310 (E_RNA) where: Base-Base interactions energy: -147.799 where: short stacking energy: -63.357 Base-Backbone interact. energy: -0.026 local terms energy: -67.556221 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.996 flat angles P-C4'-P energy: -8.347 tors. eta vs tors. theta energy: -16.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -213.759435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.759435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.759435 (E_RNA) where: Base-Base interactions energy: -140.871 where: short stacking energy: -62.109 Base-Backbone interact. energy: -0.006 local terms energy: -72.881585 where: bonds (distance) C4'-P energy: -14.381 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -20.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -206.601019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.601019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.601019 (E_RNA) where: Base-Base interactions energy: -139.768 where: short stacking energy: -60.216 Base-Backbone interact. energy: -0.036 local terms energy: -66.797869 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -199.164962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.164962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.164962 (E_RNA) where: Base-Base interactions energy: -129.961 where: short stacking energy: -52.937 Base-Backbone interact. energy: -0.014 local terms energy: -69.189878 where: bonds (distance) C4'-P energy: -15.825 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -15.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -95.673439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.673439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.673439 (E_RNA) where: Base-Base interactions energy: -41.652 where: short stacking energy: -28.643 Base-Backbone interact. energy: -0.047 local terms energy: -53.974631 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -16.179 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -3.731 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: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -85.489234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.489234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.489234 (E_RNA) where: Base-Base interactions energy: -40.117 where: short stacking energy: -15.946 Base-Backbone interact. energy: -0.198 local terms energy: -45.174826 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: 4.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -70.449292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.449292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.449292 (E_RNA) where: Base-Base interactions energy: -21.514 where: short stacking energy: -21.514 Base-Backbone interact. energy: -0.259 local terms energy: -48.676530 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -13.904 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -70.077041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.077041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.077041 (E_RNA) where: Base-Base interactions energy: -24.274 where: short stacking energy: -14.656 Base-Backbone interact. energy: -0.031 local terms energy: -45.772780 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -15.983 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: 2.100 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: 10 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -226.039209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.039209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.039209 (E_RNA) where: Base-Base interactions energy: -152.913 where: short stacking energy: -60.773 Base-Backbone interact. energy: -0.471 local terms energy: -72.655734 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -15.433 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -9.141 tors. eta vs tors. theta energy: -18.374 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: 2, replica: 9 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -215.079599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.079599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.079599 (E_RNA) where: Base-Base interactions energy: -139.729 where: short stacking energy: -65.375 Base-Backbone interact. energy: 1.386 local terms energy: -76.736797 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -16.016 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -19.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -218.837385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.837385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.837385 (E_RNA) where: Base-Base interactions energy: -150.733 where: short stacking energy: -70.556 Base-Backbone interact. energy: -0.001 local terms energy: -68.103687 where: bonds (distance) C4'-P energy: -11.211 bonds (distance) P-C4' energy: -9.980 flat angles C4'-P-C4' energy: -17.429 flat angles P-C4'-P energy: -10.296 tors. eta vs tors. theta energy: -19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -208.199677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.199677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.199677 (E_RNA) where: Base-Base interactions energy: -133.720 where: short stacking energy: -64.585 Base-Backbone interact. energy: -0.103 local terms energy: -74.376877 where: bonds (distance) C4'-P energy: -14.960 bonds (distance) P-C4' energy: -12.864 flat angles C4'-P-C4' energy: -16.793 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -21.561 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: 7 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -199.017823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.017823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.017823 (E_RNA) where: Base-Base interactions energy: -134.769 where: short stacking energy: -61.906 Base-Backbone interact. energy: -0.015 local terms energy: -64.234647 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -17.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -206.412263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.412263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.412263 (E_RNA) where: Base-Base interactions energy: -133.968 where: short stacking energy: -58.995 Base-Backbone interact. energy: -0.003 local terms energy: -72.441657 where: bonds (distance) C4'-P energy: -9.919 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -15.706 flat angles P-C4'-P energy: -12.171 tors. eta vs tors. theta energy: -16.847 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: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -83.908649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.908649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.908649 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -28.616 Base-Backbone interact. energy: -0.146 local terms energy: -55.146538 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -6.475 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: 4 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -87.435095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.435095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.435095 (E_RNA) where: Base-Base interactions energy: -31.444 where: short stacking energy: -31.444 Base-Backbone interact. energy: -0.122 local terms energy: -55.868731 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -9.784 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -11.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -72.819795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.819795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.819795 (E_RNA) where: Base-Base interactions energy: -23.696 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.000 local terms energy: -49.123647 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: 0.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -67.578515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.578515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.578515 (E_RNA) where: Base-Base interactions energy: -25.053 where: short stacking energy: -24.162 Base-Backbone interact. energy: -0.218 local terms energy: -42.308005 where: bonds (distance) C4'-P energy: -11.785 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -6.924 tors. eta vs tors. theta energy: 1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -225.144542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.144542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.144542 (E_RNA) where: Base-Base interactions energy: -147.818 where: short stacking energy: -55.573 Base-Backbone interact. energy: -0.736 local terms energy: -76.590178 where: bonds (distance) C4'-P energy: -16.257 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -16.463 flat angles P-C4'-P energy: -12.173 tors. eta vs tors. theta energy: -16.808 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: 2, replica: 9 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -217.617550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.617550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.617550 (E_RNA) where: Base-Base interactions energy: -140.646 where: short stacking energy: -66.765 Base-Backbone interact. energy: -2.165 local terms energy: -74.806239 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -11.845 flat angles C4'-P-C4' energy: -16.927 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -21.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -204.096419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.096419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.096419 (E_RNA) where: Base-Base interactions energy: -134.556 where: short stacking energy: -59.823 Base-Backbone interact. energy: -0.015 local terms energy: -69.526004 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -16.072 flat angles C4'-P-C4' energy: -16.038 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -15.529 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: 7 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -215.205811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.205811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.205811 (E_RNA) where: Base-Base interactions energy: -139.030 where: short stacking energy: -61.895 Base-Backbone interact. energy: -0.000 local terms energy: -76.176147 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -15.990 flat angles C4'-P-C4' energy: -15.741 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -20.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -200.304213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.304213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.304213 (E_RNA) where: Base-Base interactions energy: -131.662 where: short stacking energy: -57.887 Base-Backbone interact. energy: -0.007 local terms energy: -68.634842 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -14.747 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -17.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -192.344276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.344276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.344276 (E_RNA) where: Base-Base interactions energy: -134.721 where: short stacking energy: -52.642 Base-Backbone interact. energy: -0.764 local terms energy: -56.859054 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -6.296 tors. eta vs tors. theta energy: -12.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -97.966119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.966119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.966119 (E_RNA) where: Base-Base interactions energy: -45.898 where: short stacking energy: -33.038 Base-Backbone interact. energy: -0.134 local terms energy: -51.934460 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -15.136 flat angles C4'-P-C4' energy: -13.360 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -72.793440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.793440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.793440 (E_RNA) where: Base-Base interactions energy: -28.684 where: short stacking energy: -19.553 Base-Backbone interact. energy: -0.297 local terms energy: -43.812571 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -17.227 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -85.076652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.076652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.076652 (E_RNA) where: Base-Base interactions energy: -34.955 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.018 local terms energy: -50.104263 where: bonds (distance) C4'-P energy: -8.424 bonds (distance) P-C4' energy: -15.823 flat angles C4'-P-C4' energy: -11.339 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -73.875846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.875846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.875846 (E_RNA) where: Base-Base interactions energy: -31.474 where: short stacking energy: -19.986 Base-Backbone interact. energy: 5.245 local terms energy: -47.646902 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -223.228198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.228198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.228198 (E_RNA) where: Base-Base interactions energy: -146.937 where: short stacking energy: -70.748 Base-Backbone interact. energy: -0.508 local terms energy: -75.783249 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -15.973 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -20.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -215.514814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.514814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.514814 (E_RNA) where: Base-Base interactions energy: -144.445 where: short stacking energy: -66.850 Base-Backbone interact. energy: -1.379 local terms energy: -69.690442 where: bonds (distance) C4'-P energy: -12.443 bonds (distance) P-C4' energy: -10.514 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -21.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -211.297776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.297776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.297776 (E_RNA) where: Base-Base interactions energy: -140.272 where: short stacking energy: -69.788 Base-Backbone interact. energy: 1.836 local terms energy: -72.861605 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -13.318 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -20.617 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: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -203.199428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.199428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.199428 (E_RNA) where: Base-Base interactions energy: -132.225 where: short stacking energy: -57.672 Base-Backbone interact. energy: -0.308 local terms energy: -70.666193 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -18.029 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -17.049 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: 5, replica: 2 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -202.945662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.945662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.945662 (E_RNA) where: Base-Base interactions energy: -130.025 where: short stacking energy: -58.241 Base-Backbone interact. energy: -0.206 local terms energy: -72.715323 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -16.371 flat angles P-C4'-P energy: -12.082 tors. eta vs tors. theta energy: -17.860 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: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -190.106003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.106003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.106003 (E_RNA) where: Base-Base interactions energy: -118.317 where: short stacking energy: -52.363 Base-Backbone interact. energy: -0.024 local terms energy: -71.764933 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -18.222 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -17.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -91.341205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.341205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.341205 (E_RNA) where: Base-Base interactions energy: -48.886 where: short stacking energy: -30.516 Base-Backbone interact. energy: 0.468 local terms energy: -42.922587 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -1.727 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: 8 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -77.924728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.924728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.924728 (E_RNA) where: Base-Base interactions energy: -30.235 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.189 local terms energy: -47.500737 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -11.648 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -0.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -86.098730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.098730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.098730 (E_RNA) where: Base-Base interactions energy: -42.317 where: short stacking energy: -21.809 Base-Backbone interact. energy: -0.048 local terms energy: -43.733770 where: bonds (distance) C4'-P energy: -11.905 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -1.082 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: 10, replica: 4 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -73.484635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.484635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.484635 (E_RNA) where: Base-Base interactions energy: -32.711 where: short stacking energy: -32.711 Base-Backbone interact. energy: -0.095 local terms energy: -40.678370 where: bonds (distance) C4'-P energy: -9.981 bonds (distance) P-C4' energy: -9.074 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -7.598 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -217.987460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.987460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.987460 (E_RNA) where: Base-Base interactions energy: -141.822 where: short stacking energy: -64.652 Base-Backbone interact. energy: -0.604 local terms energy: -75.560898 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -12.058 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -214.429952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.429952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.429952 (E_RNA) where: Base-Base interactions energy: -140.141 where: short stacking energy: -63.538 Base-Backbone interact. energy: -0.005 local terms energy: -74.283229 where: bonds (distance) C4'-P energy: -15.342 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -13.031 tors. eta vs tors. theta energy: -20.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -204.276909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.276909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.276909 (E_RNA) where: Base-Base interactions energy: -134.718 where: short stacking energy: -59.292 Base-Backbone interact. energy: -0.026 local terms energy: -69.533176 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -9.832 tors. eta vs tors. theta energy: -18.983 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: 4, replica: 2 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -207.172333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.172333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.172333 (E_RNA) where: Base-Base interactions energy: -139.878 where: short stacking energy: -62.571 Base-Backbone interact. energy: -1.014 local terms energy: -66.281024 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -20.059 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: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -205.251206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.251206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.251206 (E_RNA) where: Base-Base interactions energy: -134.617 where: short stacking energy: -62.007 Base-Backbone interact. energy: -0.308 local terms energy: -70.325515 where: bonds (distance) C4'-P energy: -9.479 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -17.678 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: 3 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -206.479148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.479148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.479148 (E_RNA) where: Base-Base interactions energy: -133.052 where: short stacking energy: -53.676 Base-Backbone interact. energy: -0.765 local terms energy: -72.662568 where: bonds (distance) C4'-P energy: -11.900 bonds (distance) P-C4' energy: -18.028 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -94.616725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.616725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.616725 (E_RNA) where: Base-Base interactions energy: -35.887 where: short stacking energy: -34.021 Base-Backbone interact. energy: -0.014 local terms energy: -58.715705 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -82.525987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.525987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.525987 (E_RNA) where: Base-Base interactions energy: -28.037 where: short stacking energy: -25.126 Base-Backbone interact. energy: 0.120 local terms energy: -54.609604 where: bonds (distance) C4'-P energy: -14.216 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -86.649025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.649025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.649025 (E_RNA) where: Base-Base interactions energy: -31.001 where: short stacking energy: -30.306 Base-Backbone interact. energy: -0.033 local terms energy: -55.614917 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -16.772 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -7.798 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: 10, replica: 4 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -72.717707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.717707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.717707 (E_RNA) where: Base-Base interactions energy: -26.218 where: short stacking energy: -25.001 Base-Backbone interact. energy: -0.816 local terms energy: -45.684222 where: bonds (distance) C4'-P energy: -12.436 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -7.425 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -217.213596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.213596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.213596 (E_RNA) where: Base-Base interactions energy: -146.747 where: short stacking energy: -63.773 Base-Backbone interact. energy: -0.001 local terms energy: -70.466411 where: bonds (distance) C4'-P energy: -10.958 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -13.544 flat angles P-C4'-P energy: -12.068 tors. eta vs tors. theta energy: -19.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -217.490436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.490436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.490436 (E_RNA) where: Base-Base interactions energy: -144.039 where: short stacking energy: -63.516 Base-Backbone interact. energy: -0.163 local terms energy: -73.288398 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -8.941 tors. eta vs tors. theta energy: -18.920 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: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -214.897368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.897368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.897368 (E_RNA) where: Base-Base interactions energy: -140.548 where: short stacking energy: -56.320 Base-Backbone interact. energy: 0.779 local terms energy: -75.128107 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -16.173 flat angles P-C4'-P energy: -12.272 tors. eta vs tors. theta energy: -16.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -212.786998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.786998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.786998 (E_RNA) where: Base-Base interactions energy: -141.304 where: short stacking energy: -53.347 Base-Backbone interact. energy: -0.181 local terms energy: -71.301555 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.846 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -15.373 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: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -190.944283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.944283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.944283 (E_RNA) where: Base-Base interactions energy: -130.203 where: short stacking energy: -51.047 Base-Backbone interact. energy: -0.719 local terms energy: -60.022717 where: bonds (distance) C4'-P energy: -10.072 bonds (distance) P-C4' energy: -11.033 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -15.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -192.813863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.813863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.813863 (E_RNA) where: Base-Base interactions energy: -125.333 where: short stacking energy: -53.741 Base-Backbone interact. energy: -0.113 local terms energy: -67.367705 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -16.110 flat angles C4'-P-C4' energy: -12.380 flat angles P-C4'-P energy: -7.891 tors. eta vs tors. theta energy: -17.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -88.027577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.027577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.027577 (E_RNA) where: Base-Base interactions energy: -35.880 where: short stacking energy: -35.880 Base-Backbone interact. energy: -0.218 local terms energy: -51.930078 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -86.401619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.401619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.401619 (E_RNA) where: Base-Base interactions energy: -31.872 where: short stacking energy: -26.883 Base-Backbone interact. energy: -0.017 local terms energy: -54.511877 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -10.314 flat angles P-C4'-P energy: -11.254 tors. eta vs tors. theta energy: -5.506 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: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -78.074531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.074531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.074531 (E_RNA) where: Base-Base interactions energy: -33.872 where: short stacking energy: -25.924 Base-Backbone interact. energy: -0.217 local terms energy: -43.985165 where: bonds (distance) C4'-P energy: -10.004 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -11.861 flat angles P-C4'-P energy: -9.495 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: 10, replica: 8 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -81.471769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.471769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.471769 (E_RNA) where: Base-Base interactions energy: -28.955 where: short stacking energy: -24.458 Base-Backbone interact. energy: -0.561 local terms energy: -51.956266 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -11.790 flat angles C4'-P-C4' energy: -15.458 flat angles P-C4'-P energy: -11.110 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -222.138214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.138214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.138214 (E_RNA) where: Base-Base interactions energy: -143.696 where: short stacking energy: -65.542 Base-Backbone interact. energy: -2.313 local terms energy: -76.128798 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -16.308 flat angles P-C4'-P energy: -11.439 tors. eta vs tors. theta energy: -19.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -213.196317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.196317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.196317 (E_RNA) where: Base-Base interactions energy: -139.576 where: short stacking energy: -59.030 Base-Backbone interact. energy: -0.303 local terms energy: -73.317110 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -20.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -198.948804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.948804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.948804 (E_RNA) where: Base-Base interactions energy: -131.518 where: short stacking energy: -50.195 Base-Backbone interact. energy: -0.691 local terms energy: -66.740372 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -9.127 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -200.907404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.907404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.907404 (E_RNA) where: Base-Base interactions energy: -131.858 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.095 local terms energy: -68.954686 where: bonds (distance) C4'-P energy: -10.975 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -9.331 tors. eta vs tors. theta energy: -17.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -199.910999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.910999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.910999 (E_RNA) where: Base-Base interactions energy: -140.640 where: short stacking energy: -55.651 Base-Backbone interact. energy: -0.557 local terms energy: -58.714439 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -16.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -205.283319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.283319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.283319 (E_RNA) where: Base-Base interactions energy: -131.129 where: short stacking energy: -60.879 Base-Backbone interact. energy: -0.777 local terms energy: -73.377597 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -13.507 tors. eta vs tors. theta energy: -15.727 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: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -84.771792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.771792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.771792 (E_RNA) where: Base-Base interactions energy: -31.529 where: short stacking energy: -27.257 Base-Backbone interact. energy: -0.097 local terms energy: -53.146670 where: bonds (distance) C4'-P energy: -17.006 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -4.767 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: 4 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -82.450818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.450818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.450818 (E_RNA) where: Base-Base interactions energy: -35.538 where: short stacking energy: -21.478 Base-Backbone interact. energy: -0.991 local terms energy: -45.922201 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -3.685 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: 1 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -76.157470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.157470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.157470 (E_RNA) where: Base-Base interactions energy: -29.831 where: short stacking energy: -29.831 Base-Backbone interact. energy: -0.326 local terms energy: -46.000435 where: bonds (distance) C4'-P energy: -8.825 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -5.766 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -75.517519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.517519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.517519 (E_RNA) where: Base-Base interactions energy: -28.072 where: short stacking energy: -26.923 Base-Backbone interact. energy: -0.291 local terms energy: -47.154444 where: bonds (distance) C4'-P energy: -11.273 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -223.195387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.195387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.195387 (E_RNA) where: Base-Base interactions energy: -148.013 where: short stacking energy: -71.292 Base-Backbone interact. energy: -0.002 local terms energy: -75.180256 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -15.553 flat angles P-C4'-P energy: -11.717 tors. eta vs tors. theta energy: -20.389 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: 9 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -205.091875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.091875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.091875 (E_RNA) where: Base-Base interactions energy: -134.271 where: short stacking energy: -53.986 Base-Backbone interact. energy: -0.959 local terms energy: -69.861812 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -11.388 flat angles C4'-P-C4' energy: -15.898 flat angles P-C4'-P energy: -13.010 tors. eta vs tors. theta energy: -16.297 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: 496 Temperature: 1.000000 Total energy: -197.515556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.515556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.515556 (E_RNA) where: Base-Base interactions energy: -126.556 where: short stacking energy: -56.521 Base-Backbone interact. energy: -0.009 local terms energy: -70.951443 where: bonds (distance) C4'-P energy: -11.454 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -12.248 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -208.887911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.887911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.887911 (E_RNA) where: Base-Base interactions energy: -137.851 where: short stacking energy: -67.680 Base-Backbone interact. energy: -0.002 local terms energy: -71.034661 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -20.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -201.868710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.868710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.868710 (E_RNA) where: Base-Base interactions energy: -140.128 where: short stacking energy: -68.581 Base-Backbone interact. energy: -2.246 local terms energy: -59.494424 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -11.388 flat angles C4'-P-C4' energy: -11.253 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -20.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -200.705397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.705397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.705397 (E_RNA) where: Base-Base interactions energy: -126.674 where: short stacking energy: -58.145 Base-Backbone interact. energy: -0.002 local terms energy: -74.029434 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -17.530 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -82.311505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.311505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.311505 (E_RNA) where: Base-Base interactions energy: -34.340 where: short stacking energy: -29.121 Base-Backbone interact. energy: -0.045 local terms energy: -47.926479 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: 0.187 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: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -82.618153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.618153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.618153 (E_RNA) where: Base-Base interactions energy: -26.228 where: short stacking energy: -26.228 Base-Backbone interact. energy: -0.026 local terms energy: -56.364956 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -14.938 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -7.873 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: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -74.018692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.018692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.018692 (E_RNA) where: Base-Base interactions energy: -26.141 where: short stacking energy: -26.141 Base-Backbone interact. energy: -0.188 local terms energy: -47.689346 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -11.164 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -69.141875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.141875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.141875 (E_RNA) where: Base-Base interactions energy: -22.094 where: short stacking energy: -19.137 Base-Backbone interact. energy: -0.319 local terms energy: -46.728740 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -10.090 flat angles P-C4'-P energy: -9.579 tors. eta vs tors. theta energy: -0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -233.447443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -233.447443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -233.447443 (E_RNA) where: Base-Base interactions energy: -163.552 where: short stacking energy: -60.100 Base-Backbone interact. energy: -0.172 local terms energy: -69.723452 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -14.053 flat angles C4'-P-C4' energy: -17.031 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -15.392 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: 497 Temperature: 0.950000 Total energy: -214.718916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.718916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.718916 (E_RNA) where: Base-Base interactions energy: -150.760 where: short stacking energy: -56.802 Base-Backbone interact. energy: -0.249 local terms energy: -63.710380 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -16.564 flat angles C4'-P-C4' energy: -15.615 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -10.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -206.438209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.438209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.438209 (E_RNA) where: Base-Base interactions energy: -137.004 where: short stacking energy: -57.217 Base-Backbone interact. energy: -0.207 local terms energy: -69.227349 where: bonds (distance) C4'-P energy: -13.122 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -198.409424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.409424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.409424 (E_RNA) where: Base-Base interactions energy: -133.887 where: short stacking energy: -58.265 Base-Backbone interact. energy: -0.255 local terms energy: -64.268116 where: bonds (distance) C4'-P energy: -14.032 bonds (distance) P-C4' energy: -11.926 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -205.536294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.536294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.536294 (E_RNA) where: Base-Base interactions energy: -133.795 where: short stacking energy: -63.374 Base-Backbone interact. energy: -0.000 local terms energy: -71.741104 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -19.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -199.665567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.665567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.665567 (E_RNA) where: Base-Base interactions energy: -137.367 where: short stacking energy: -57.382 Base-Backbone interact. energy: -0.523 local terms energy: -61.775705 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -16.139 flat angles C4'-P-C4' energy: -16.176 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -17.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -121.836467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.836467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.836467 (E_RNA) where: Base-Base interactions energy: -69.440 where: short stacking energy: -38.644 Base-Backbone interact. energy: -0.173 local terms energy: -52.223722 where: bonds (distance) C4'-P energy: -11.006 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -9.940 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -6.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -93.283802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.283802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.283802 (E_RNA) where: Base-Base interactions energy: -40.420 where: short stacking energy: -40.420 Base-Backbone interact. energy: -0.002 local terms energy: -52.862372 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -68.936036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.936036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.936036 (E_RNA) where: Base-Base interactions energy: -17.982 where: short stacking energy: -14.420 Base-Backbone interact. energy: -1.045 local terms energy: -49.908596 where: bonds (distance) C4'-P energy: -13.283 bonds (distance) P-C4' energy: -13.597 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: 1.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -69.453677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.453677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.453677 (E_RNA) where: Base-Base interactions energy: -34.872 where: short stacking energy: -20.937 Base-Backbone interact. energy: 0.004 local terms energy: -34.585764 where: bonds (distance) C4'-P energy: -10.692 bonds (distance) P-C4' energy: -11.564 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: 3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -238.504304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -238.504304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -238.504304 (E_RNA) where: Base-Base interactions energy: -166.877 where: short stacking energy: -57.883 Base-Backbone interact. energy: 0.078 local terms energy: -71.705742 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -14.705 flat angles C4'-P-C4' energy: -17.949 flat angles P-C4'-P energy: -12.030 tors. eta vs tors. theta energy: -12.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -209.833275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.833275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.833275 (E_RNA) where: Base-Base interactions energy: -145.215 where: short stacking energy: -51.217 Base-Backbone interact. energy: -0.339 local terms energy: -64.279406 where: bonds (distance) C4'-P energy: -11.863 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -13.755 flat angles P-C4'-P energy: -11.205 tors. eta vs tors. theta energy: -11.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -210.467428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.467428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.467428 (E_RNA) where: Base-Base interactions energy: -145.690 where: short stacking energy: -63.691 Base-Backbone interact. energy: -0.153 local terms energy: -64.624129 where: bonds (distance) C4'-P energy: -13.034 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -10.394 tors. eta vs tors. theta energy: -18.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -205.221787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.221787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.221787 (E_RNA) where: Base-Base interactions energy: -139.212 where: short stacking energy: -57.219 Base-Backbone interact. energy: -0.009 local terms energy: -66.000534 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -15.815 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: 10 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -195.724747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.724747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.724747 (E_RNA) where: Base-Base interactions energy: -132.327 where: short stacking energy: -53.803 Base-Backbone interact. energy: -1.758 local terms energy: -61.640177 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -12.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -203.456543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.456543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.456543 (E_RNA) where: Base-Base interactions energy: -128.985 where: short stacking energy: -66.268 Base-Backbone interact. energy: -0.128 local terms energy: -74.343567 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -14.125 flat angles C4'-P-C4' energy: -17.911 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -18.260 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: 4 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -165.188935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.188935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.188935 (E_RNA) where: Base-Base interactions energy: -102.942 where: short stacking energy: -40.212 Base-Backbone interact. energy: -0.120 local terms energy: -62.127539 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -14.406 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -12.975 tors. eta vs tors. theta energy: -11.442 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: 8 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -87.891262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.891262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.891262 (E_RNA) where: Base-Base interactions energy: -33.681 where: short stacking energy: -30.089 Base-Backbone interact. energy: 0.992 local terms energy: -55.202522 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -12.487 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -7.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -80.640351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.640351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.640351 (E_RNA) where: Base-Base interactions energy: -34.439 where: short stacking energy: -29.521 Base-Backbone interact. energy: -0.118 local terms energy: -46.083345 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -3.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -70.626277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.626277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.626277 (E_RNA) where: Base-Base interactions energy: -27.210 where: short stacking energy: -24.929 Base-Backbone interact. energy: -0.098 local terms energy: -43.318869 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -0.625 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) out arg RESULTS//1/16160_5_UTR_GAGACG-8994b62c_01 DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 7 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -232.612666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -232.612666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -232.612666 (E_RNA) where: Base-Base interactions energy: -162.454 where: short stacking energy: -58.387 Base-Backbone interact. energy: -0.261 local terms energy: -69.897797 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -14.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -211.982073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.982073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.982073 (E_RNA) where: Base-Base interactions energy: -140.202 where: short stacking energy: -61.957 Base-Backbone interact. energy: -0.650 local terms energy: -71.129737 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -21.294 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: 499 Temperature: 1.000000 Total energy: -212.975625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.975625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.975625 (E_RNA) where: Base-Base interactions energy: -147.649 where: short stacking energy: -52.691 Base-Backbone interact. energy: 0.225 local terms energy: -65.551702 where: bonds (distance) C4'-P energy: -13.732 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -10.778 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -14.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -208.824970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.824970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.824970 (E_RNA) where: Base-Base interactions energy: -136.919 where: short stacking energy: -57.071 Base-Backbone interact. energy: -0.058 local terms energy: -71.848418 where: bonds (distance) C4'-P energy: -15.570 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -13.575 flat angles P-C4'-P energy: -9.886 tors. eta vs tors. theta energy: -16.997 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: 10 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -193.641498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.641498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.641498 (E_RNA) where: Base-Base interactions energy: -125.002 where: short stacking energy: -51.206 Base-Backbone interact. energy: -0.061 local terms energy: -68.577982 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -16.052 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: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -183.184858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.184858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.184858 (E_RNA) where: Base-Base interactions energy: -123.367 where: short stacking energy: -57.281 Base-Backbone interact. energy: -0.061 local terms energy: -59.757154 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -9.960 flat angles C4'-P-C4' energy: -14.387 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -15.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -194.489511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.489511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.489511 (E_RNA) where: Base-Base interactions energy: -127.588 where: short stacking energy: -55.480 Base-Backbone interact. energy: -0.257 local terms energy: -66.644567 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -8.877 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -77.182931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.182931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.182931 (E_RNA) where: Base-Base interactions energy: -28.351 where: short stacking energy: -26.449 Base-Backbone interact. energy: -0.076 local terms energy: -48.755999 where: bonds (distance) C4'-P energy: -7.442 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -8.331 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: 499 Temperature: 1.300000 Total energy: -76.824065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.824065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.824065 (E_RNA) where: Base-Base interactions energy: -31.183 where: short stacking energy: -17.698 Base-Backbone interact. energy: 0.186 local terms energy: -45.826243 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: 2.783 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: 6 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -70.307666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.307666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.307666 (E_RNA) where: Base-Base interactions energy: -24.657 where: short stacking energy: -24.380 Base-Backbone interact. energy: -0.230 local terms energy: -45.419876 where: bonds (distance) C4'-P energy: -11.565 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: 1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -221.879020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.879020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.879020 (E_RNA) where: Base-Base interactions energy: -146.063 where: short stacking energy: -64.490 Base-Backbone interact. energy: 1.269 local terms energy: -77.084566 where: bonds (distance) C4'-P energy: -14.994 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -16.187 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -16.108 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: 7 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -223.417691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.417691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.417691 (E_RNA) where: Base-Base interactions energy: -162.025 where: short stacking energy: -57.960 Base-Backbone interact. energy: -0.465 local terms energy: -60.927534 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -9.981 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -9.114 tors. eta vs tors. theta energy: -13.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -208.857027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.857027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.857027 (E_RNA) where: Base-Base interactions energy: -137.405 where: short stacking energy: -63.744 Base-Backbone interact. energy: -0.473 local terms energy: -70.978244 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -17.699 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -205.362969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.362969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.362969 (E_RNA) where: Base-Base interactions energy: -140.634 where: short stacking energy: -55.426 Base-Backbone interact. energy: -0.310 local terms energy: -64.418080 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -7.710 tors. eta vs tors. theta energy: -11.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -194.364989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.364989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.364989 (E_RNA) where: Base-Base interactions energy: -133.631 where: short stacking energy: -58.245 Base-Backbone interact. energy: -0.027 local terms energy: -60.706790 where: bonds (distance) C4'-P energy: -13.052 bonds (distance) P-C4' energy: -9.029 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -179.404621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.404621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.404621 (E_RNA) where: Base-Base interactions energy: -114.255 where: short stacking energy: -51.769 Base-Backbone interact. energy: -0.005 local terms energy: -65.144910 where: bonds (distance) C4'-P energy: -10.320 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -14.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -197.255152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.255152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.255152 (E_RNA) where: Base-Base interactions energy: -133.332 where: short stacking energy: -56.104 Base-Backbone interact. energy: 2.312 local terms energy: -66.235570 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -16.667 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: 8 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -81.091467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.091467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.091467 (E_RNA) where: Base-Base interactions energy: -28.103 where: short stacking energy: -28.103 Base-Backbone interact. energy: -0.061 local terms energy: -52.927917 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.339 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -96.624039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.624039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.624039 (E_RNA) where: Base-Base interactions energy: -50.831 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.174 local terms energy: -45.619300 where: bonds (distance) C4'-P energy: -11.504 bonds (distance) P-C4' energy: -12.834 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -66.920829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.920829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.920829 (E_RNA) where: Base-Base interactions energy: -21.716 where: short stacking energy: -20.200 Base-Backbone interact. energy: 0.196 local terms energy: -45.400567 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: 4.915 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 3 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -219.001205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.001205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.001205 (E_RNA) where: Base-Base interactions energy: -139.687 where: short stacking energy: -63.882 Base-Backbone interact. energy: -1.213 local terms energy: -78.101727 where: bonds (distance) C4'-P energy: -14.155 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -13.293 tors. eta vs tors. theta energy: -19.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -212.867292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.867292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.867292 (E_RNA) where: Base-Base interactions energy: -140.005 where: short stacking energy: -54.184 Base-Backbone interact. energy: -0.152 local terms energy: -72.710496 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -16.584 flat angles P-C4'-P energy: -11.923 tors. eta vs tors. theta energy: -15.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -221.502577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.502577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.502577 (E_RNA) where: Base-Base interactions energy: -156.592 where: short stacking energy: -55.553 Base-Backbone interact. energy: -0.438 local terms energy: -64.472363 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -12.926 flat angles C4'-P-C4' energy: -15.479 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -12.157 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: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -204.687565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.687565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.687565 (E_RNA) where: Base-Base interactions energy: -133.862 where: short stacking energy: -62.810 Base-Backbone interact. energy: -0.044 local terms energy: -70.780881 where: bonds (distance) C4'-P energy: -13.972 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -9.074 tors. eta vs tors. theta energy: -17.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -214.242557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.242557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.242557 (E_RNA) where: Base-Base interactions energy: -147.617 where: short stacking energy: -56.919 Base-Backbone interact. energy: -0.726 local terms energy: -65.899900 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -15.556 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -15.869 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: 2 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -202.944462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.944462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.944462 (E_RNA) where: Base-Base interactions energy: -131.234 where: short stacking energy: -59.120 Base-Backbone interact. energy: -0.003 local terms energy: -71.707678 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -13.767 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -167.980508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.980508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.980508 (E_RNA) where: Base-Base interactions energy: -113.200 where: short stacking energy: -50.045 Base-Backbone interact. energy: -0.104 local terms energy: -54.675597 where: bonds (distance) C4'-P energy: -10.950 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -15.886 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -8.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -81.143389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.143389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.143389 (E_RNA) where: Base-Base interactions energy: -28.342 where: short stacking energy: -29.429 Base-Backbone interact. energy: -0.088 local terms energy: -52.713539 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -70.681843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.681843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.681843 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.052 local terms energy: -45.829724 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -7.166 tors. eta vs tors. theta energy: -0.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -77.932220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.932220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.932220 (E_RNA) where: Base-Base interactions energy: -30.829 where: short stacking energy: -27.195 Base-Backbone interact. energy: -1.565 local terms energy: -45.538510 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -9.173 tors. eta vs tors. theta energy: -5.049 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) replica 3 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11726457 moves confirmed later: 13313667 all moves confirmed: 25040124 percent of confirmed moves: 3.130015 current total energy: -202.391928 recalc. total energy: -202.391928 replica 5 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 12080128 moves confirmed later: 13776672 all moves confirmed: 25856800 percent of confirmed moves: 3.232100 current total energy: -180.753187 recalc. total energy: -180.753187 replica 10 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 15837252 moves confirmed later: 18732613 all moves confirmed: 34569865 percent of confirmed moves: 4.321233 current total energy: -185.426679 recalc. total energy: -185.426679 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 16518173 moves confirmed later: 19652979 all moves confirmed: 36171152 percent of confirmed moves: 4.521394 current total energy: -195.020220 recalc. total energy: -195.020220 replica 2 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11514624 moves confirmed later: 12937594 all moves confirmed: 24452218 percent of confirmed moves: 3.056527 current total energy: -150.008432 recalc. total energy: -150.008432 replica 9 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 16436826 moves confirmed later: 19504449 all moves confirmed: 35941275 percent of confirmed moves: 4.492659 current total energy: -143.283755 recalc. total energy: -143.283755 replica 4 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 24156160 moves confirmed later: 29772971 all moves confirmed: 53929131 percent of confirmed moves: 6.741141 current total energy: -103.840650 recalc. total energy: -103.840650 replica 6 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 18350964 moves confirmed later: 22071248 all moves confirmed: 40422212 percent of confirmed moves: 5.052777 current total energy: -30.671603 recalc. total energy: -30.671603 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 13224246 moves confirmed later: 15231112 all moves confirmed: 28455358 percent of confirmed moves: 3.556920 current total energy: -20.346618 recalc. total energy: -20.346618 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 24495979 moves confirmed later: 30273365 all moves confirmed: 54769344 percent of confirmed moves: 6.846168 current total energy: -50.000040 recalc. total energy: -50.000040 Time of doing 8000000 iterations: 1980.668 seconds